/data/big.sdf
http://github.com/rajarshi/cdkr · Unknown · 10629 lines · 10352 code · 277 blank · 0 comment · 0 complexity · bb87c476442d8d6f5c6241a647e13d26 MD5 · raw file
- dan001.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0470 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9100 -0.0020 0.0020 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6200 1.5370 0.6820 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6240 -1.3590 0.9880 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6190 -0.1760 -1.6720 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan002.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- -1.7000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5500 0.4580 1.1740 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5500 -1.2450 -0.1900 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5500 0.7880 -0.9830 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- M END
- $$$$
- dan003.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6220 -0.7250 -0.0370 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2250 -1.2830 -0.1080 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1840 1.1110 -1.3750 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2140 0.8970 1.5190 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan004.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3610 1.1390 -0.6320 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4950 -0.8780 -0.9010 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9460 0.2780 0.9240 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0800 -0.5400 0.6090 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan005.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 1.8200 0.3910 -0.4400 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.0000 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.0000 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2490 1.3810 -0.4400 Br 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5710 -1.7720 -0.4400 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- M END
- $$$$
- dan006.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0680 0.0000 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1570 0.0000 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6310 0.0000 -0.3910 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7040 1.0900 -0.4250 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7040 -1.0900 -0.4250 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan007.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 -0.0800 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.1770 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4580 0.7920 -0.4070 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4580 0.7920 -0.4070 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -1.3270 -0.4520 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan008.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 0.0000 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.0000 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5710 -0.6010 -0.4420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3060 -1.0600 -0.4420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2650 1.6610 -0.4420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan009.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 0.0000 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.0000 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7950 0.9820 0.4140 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2480 0.1980 0.4140 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4530 -1.1800 0.4140 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan010.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 -0.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.7960 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.7960 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6150 0.8820 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6150 0.8820 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan011.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.7780 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.7780 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4590 0.8530 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4590 0.8530 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan012.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.6910 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.6910 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0910 -0.7300 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0910 -0.7300 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan013.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.0000 0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.8970 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.8970 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7110 -1.0270 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7110 -1.0270 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan014.sdf
- MOE2004 3D
- 4 3 0 0 0 0 0 0 0 0999 V2000
- 1.2120 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0120 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6000 -0.8370 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6000 0.8370 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- M END
- $$$$
- dan015.sdf
- MOE2004 2D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- -0.2540 -0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1500 -1.4350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2970 0.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9470 0.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7550 1.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 2 0 0 0 0
- 1 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- M END
- $$$$
- dan016.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- 0.1800 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5230 0.9600 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5230 -0.1400 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5230 -0.8200 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7490 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan017.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- -0.1410 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4960 0.2990 -0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4960 -1.0060 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4960 0.7070 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6300 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan018.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- -0.0620 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4120 -1.0080 0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4120 0.7070 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4120 0.3000 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2970 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan019.sdf
- MOE2004 3D
- 5 4 0 0 0 0 0 0 0 0999 V2000
- -0.1930 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5790 0.8500 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5800 0.0680 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5790 -0.9180 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9310 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- M END
- $$$$
- dan020.sdf
- MOE2004 3D
- 6 5 0 0 0 0 0 0 0 0999 V2000
- -0.3400 0.0310 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6960 -0.7290 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7170 -0.1890 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6970 1.0140 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0780 0.0310 -0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3720 -0.1590 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- M END
- $$$$
- dan021.sdf
- MOE2004 3D
- 6 5 0 0 0 0 0 0 0 0999 V2000
- -0.4410 0.0370 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8120 0.2090 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8130 0.8280 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8130 -0.9270 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3630 0.0370 0.2190 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5160 -0.1850 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- M END
- $$$$
- dan022.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.7310 0.0000 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7940 0.0000 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4630 -1.4580 0.6110 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4630 1.4580 0.6110 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0330 0.0000 -1.4590 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1600 -0.0010 1.3600 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3680 -1.0910 -0.5240 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3680 1.0920 -0.5220 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 2 8 1 0 0 0 0
- M END
- $$$$
- dan023.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.7630 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7630 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2660 -0.7000 1.0510 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2670 1.2600 0.0800 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2670 -0.5610 -1.1320 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2670 0.5600 1.1320 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2670 -1.2600 -0.0810 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2670 0.7010 -1.0510 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- M END
- $$$$
- dan024.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.7650 0.0000 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6810 0.0000 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7040 0.0000 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5560 1.4570 -0.2470 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5560 -1.4570 -0.2470 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4380 1.0890 0.2660 F 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8570 0.0000 -1.5430 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4370 -1.0900 0.2660 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- M END
- $$$$
- dan025.sdf
- MOE2004 2D
- 6 5 0 0 0 0 0 0 0 0999 V2000
- 0.5480 -0.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5390 -1.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5650 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5630 2.0170 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1090 -0.4940 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1490 0.1570 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 2 0 0 0 0
- 1 6 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- M END
- $$$$
- dan026.sdf
- MOE2004 3D
- 7 6 0 0 0 0 0 0 0 0999 V2000
- -0.5030 0.0000 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8170 0.0000 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7640 -0.0010 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9220 0.0000 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8170 -0.0020 0.9140 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5910 1.4620 -1.2770 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5910 -1.4590 -1.2810 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 2 0 0 0 0
- M END
- $$$$
- dan027.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.7290 0.0000 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7320 0.0000 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7330 0.0000 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6190 1.4410 -0.3960 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6200 -1.4400 -0.4000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8130 -0.0020 1.9950 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6620 1.4510 0.1710 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6620 -1.4500 0.1720 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- M END
- $$$$
- dan028.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.7340 0.0000 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8300 0.0000 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7230 0.0000 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3770 1.0910 -0.2960 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3770 -1.0920 -0.2940 F 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8570 0.0010 1.5320 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3850 1.0910 0.2370 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3850 -1.0910 0.2370 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- M END
- $$$$
- dan029.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.6310 0.4170 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6520 1.0980 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6310 -0.4170 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6520 -1.0990 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2080 -0.7110 -0.3750 Br 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8320 1.5690 1.4470 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8320 -1.5680 1.4480 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2080 0.7100 -0.3750 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 7 1 0 0 0 0
- 3 8 1 0 0 0 0
- M END
- $$$$
- dan030.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.6130 0.0000 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6040 0.0000 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5980 -0.8820 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5980 0.8820 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6340 -1.4580 1.4280 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6350 1.4600 1.4250 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1020 -0.0020 -0.5990 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1840 0.0000 0.2960 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 1 7 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 8 1 0 0 0 0
- M END
- $$$$
- dan031.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.6720 0.3770 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7330 1.0250 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6720 -0.3770 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7330 -1.0250 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8990 1.4330 -1.3200 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0520 -0.7510 0.2290 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8990 -1.4340 -1.3200 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0530 0.7510 0.2290 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 5 1 0 0 0 0
- 1 6 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 7 1 0 0 0 0
- 3 8 1 0 0 0 0
- M END
- $$$$
- dan032.sdf
- MOE2004 2D
- 6 5 0 0 0 0 0 0 0 0999 V2000
- 0.0010 0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9300 1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9350 1.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0010 -0.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1690 -1.2970 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1730 -1.2930 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 2 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- M END
- $$$$
- dan033.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.7000 -0.2950 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8580 -0.9610 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7000 0.2950 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8580 0.9610 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9260 1.0020 -1.0780 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6300 -0.6960 0.1010 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9270 -1.0030 -1.0770 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6300 0.6960 0.1010 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- M END
- $$$$
- dan034.sdf
- MOE2004 2D
- 6 5 0 0 0 0 0 0 0 0999 V2000
- -0.6720 0.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6110 1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6590 -0.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4220 -0.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3670 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1530 0.2400 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 2 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- M END
- $$$$
- dan035.sdf
- MOE2004 3D
- 7 6 0 0 0 0 0 0 0 0999 V2000
- 0.3930 -0.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1300 -1.1240 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1390 -1.1170 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4730 -0.3740 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3330 0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2620 1.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0640 0.5570 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- M END
- $$$$
- dan036.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.0000 0.0000 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7230 0.7080 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9760 0.2720 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2510 -0.9810 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.0000 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4160 -1.6220 1.3130 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6120 0.4520 1.3130 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1980 1.1710 1.3130 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan037.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.5740 0.2910 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4420 0.2710 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5760 -0.4240 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5020 -0.3340 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5850 -1.4890 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1670 0.2220 -0.1500 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1110 -0.5370 -0.0090 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7020 1.9990 0.1310 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- M END
- $$$$
- dan038.sdf
- MOE2004 2D
- 6 5 0 0 0 0 0 0 0 0999 V2000
- -0.6380 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6570 -1.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5810 0.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5210 0.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6590 1.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6960 -0.3030 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 2 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- M END
- $$$$
- dan039.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.7930 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1830 0.8830 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1830 0.0040 -1.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1830 -0.8870 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7180 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2080 -1.0970 0.6270 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2080 0.0050 -1.2640 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2080 1.0920 0.6360 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan040.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.0000 -0.7910 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.7760 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8830 -1.3530 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8830 -1.3530 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.6060 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.5810 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6120 1.5430 -0.1940 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6120 1.5440 -0.1940 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan041.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.6320 -0.1580 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4510 -0.0250 1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1930 -1.0840 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6320 -0.1580 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4510 -0.0240 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1930 -1.0840 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8370 1.2660 0.1420 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8370 1.2660 -0.1420 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 8 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- M END
- $$$$
- dan042.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.0000 -0.6380 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.6270 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.7890 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0020 1.5010 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8840 1.0130 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8820 1.0120 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4550 -1.5250 -0.2030 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4560 -1.5250 -0.2030 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 7 1 0 0 0 0
- 1 8 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- M END
- $$$$
- dan043.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.6710 -0.1260 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5460 -0.0750 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2210 -1.0410 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6710 -0.1260 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5460 -0.0750 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2210 -1.0410 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6990 1.2420 0.1420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6990 1.2420 -0.1420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 8 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- M END
- $$$$
- dan044.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.7510 0.0000 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7830 0.0000 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2770 0.8920 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2770 -0.8920 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6810 0.0000 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7600 0.0000 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3240 -1.0900 -0.2170 F 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3240 1.0900 -0.2170 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan045.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- 0.6840 -0.0630 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6120 0.0520 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2340 -0.9770 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6840 -0.0630 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6110 0.0520 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2330 -0.9770 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4050 0.9880 0.1570 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4050 0.9880 -0.1570 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 8 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- M END
- $$$$
- dan046.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.7260 0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0220 1.3720 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1280 -0.1510 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1290 -0.1600 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7730 0.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5250 1.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2110 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4960 -1.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- M END
- $$$$
- dan047.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -1.0350 -0.1210 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9800 0.9720 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5930 -0.4720 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5720 -0.4230 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2480 -0.7570 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3450 0.0480 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0940 1.1200 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4940 -0.3670 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 2 0 0 0 0
- M END
- $$$$
- dan048.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.6550 0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3200 1.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2920 0.3150 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2930 0.3140 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4710 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4440 -1.1850 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4440 -1.1850 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2000 0.3280 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan049.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.6590 0.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3650 1.4960 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2870 0.2680 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2880 0.2670 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5210 -0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5030 -1.1570 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5040 -1.1570 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0700 0.3590 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan050.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.6680 -0.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4690 -1.4530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2710 -0.1360 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2710 -0.1350 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6160 0.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6950 1.0550 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6950 1.0550 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6730 -0.4320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan051.sdf
- MOE2004 3D
- 8 7 0 0 0 0 0 0 0 0999 V2000
- -0.6500 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2750 1.5120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2940 0.3650 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2930 0.3650 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4370 -0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3390 -1.2220 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3390 -1.2220 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3980 0.2980 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan052.sdf
- MOE2004 3D
- 9 8 0 0 0 0 0 0 0 0999 V2000
- -1.2000 -0.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0300 1.0450 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7830 -0.3050 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7810 -0.3000 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2000 -0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0300 1.0450 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7840 -0.3060 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7800 -0.2990 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- M END
- $$$$
- dan053.sdf
- MOE2004 3D
- 9 8 0 0 0 0 0 0 0 0999 V2000
- -0.8590 -0.2770 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8900 -0.9370 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9040 -0.9190 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7420 0.3680 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4130 0.5480 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4610 1.1770 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4620 1.1950 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5480 -0.3090 -0.0890 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5100 -0.8450 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- M END
- $$$$
- dan054.sdf
- MOE2004 3D
- 10 9 0 0 0 0 0 0 0 0999 V2000
- -1.7620 -0.2730 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4560 0.4100 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5110 0.4020 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4570 1.0370 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4440 1.0540 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6250 -0.6130 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5730 -1.2410 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5560 -1.2840 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8880 0.0430 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9880 0.4640 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- M END
- $$$$
- dan055.sdf
- MOE2004 3D
- 9 8 0 0 0 0 0 0 0 0999 V2000
- -1.3960 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0820 1.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0110 -0.2030 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0100 -0.2030 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -1.1840 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3960 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0820 1.0220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0100 -0.2030 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0110 -0.2030 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- M END
- $$$$
- dan056.sdf
- MOE2004 3D
- 9 8 0 0 0 0 0 0 0 0999 V2000
- -0.8660 0.3400 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8560 0.9770 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8140 -0.2060 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8510 0.9820 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2950 -0.6390 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2490 -1.2780 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2490 -1.2820 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8800 0.2440 0.1310 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7140 0.8640 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- M END
- $$$$
- dan057.sdf
- MOE2004 3D
- 10 9 0 0 0 0 0 0 0 0999 V2000
- -1.8170 0.1010 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9810 -0.1340 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7910 0.1900 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3000 1.0600 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8730 -1.2170 0.5450 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8740 -1.2170 -0.5450 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8170 0.1010 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9820 -0.1340 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7910 0.1910 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2990 1.0590 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- M END
- $$$$
- dan058.sdf
- MOE2004 3D
- 10 9 0 0 0 0 0 0 0 0999 V2000
- -1.7490 0.8250 -0.1380 S 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0630 1.7810 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6770 -0.5650 0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2090 -1.4860 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5570 -0.5540 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6800 -0.5650 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2120 -1.4870 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5600 -0.5560 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7490 0.8260 0.1360 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0550 1.7810 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- M END
- $$$$
- dan059.sdf
- MOE2004 3D
- 9 8 0 0 0 0 0 0 0 0999 V2000
- -0.3880 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1900 1.6860 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1880 1.6880 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4550 0.8320 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4640 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0050 -1.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6620 -2.2590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0710 -1.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1700 0.1330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 9 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- M END
- $$$$
- dan060.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- -1.2550 0.2790 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3600 0.1200 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2180 1.3580 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.4030 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.3430 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2550 0.2790 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2180 1.3580 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3600 0.1200 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7450 -0.3090 -0.5950 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -2.1500 0.0650 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7450 -0.3090 -0.5950 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 10 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 11 1 0 0 0 0
- M END
- $$$$
- dan061.sdf
- MOE2004 3D
- 11 10 0 0 1 0 0 0 0 0999 V2000
- 1.0440 -0.4800 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3950 0.4000 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2070 -1.3530 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4420 -0.3280 0.2640 C 0 0 3 0 0 0 0 0 0 0 0 0
- -0.7440 0.8750 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3090 0.7730 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8240 1.0040 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3520 1.7940 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1060 -0.6580 -0.8130 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0840 -1.8170 -0.4960 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9970 -0.2100 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 10 1 0 0 0 0
- 4 11 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- M END
- $$$$
- dan062.sdf
- MOE2004 3D
- 10 9 0 0 0 0 0 0 0 0999 V2000
- -1.2800 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1360 -0.5140 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3270 0.7920 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3270 0.7920 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2810 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1360 -0.5150 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3270 0.7930 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3280 0.7900 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0010 -1.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 2 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- M END
- $$$$
- dan063.sdf
- MOE2004 3D
- 10 9 0 0 0 0 0 0 0 0999 V2000
- -1.0880 0.3380 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9090 1.1070 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9930 -0.2120 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2740 0.8480 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0950 -0.6050 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0870 -1.3590 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2610 -1.1190 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3380 0.1560 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2720 0.7640 1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3860 0.0830 -0.3270 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 2 0 0 0 0
- M END
- $$$$
- dan064.sdf
- MOE2004 3D
- 10 10 0 0 1 0 0 0 0 0999 V2000
- 1.2080 0.2030 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0850 0.2480 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7890 1.0750 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7850 -0.6950 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0990 0.1760 0.5120 C 0 0 3 0 0 0 0 0 0 0 0 0
- -1.3250 -0.4250 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2310 -0.9120 -1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0920 -0.8350 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1130 0.9940 -0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0080 0.1710 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 9 1 0 0 0 0
- 5 10 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- M END
- $$$$
- dan065.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- -1.2250 -0.5460 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3040 -0.6540 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2320 -0.4960 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7320 -1.4490 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4270 0.6950 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3350 0.8090 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9370 1.5850 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8660 0.6480 0.5390 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8440 -0.0160 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4870 -0.4520 -1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9950 -0.1240 0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 2 0 0 0 0
- M END
- $$$$
- dan066.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- -0.9730 -0.8880 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4870 -1.2660 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4870 -1.2650 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0040 -1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9940 0.6190 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0430 1.2520 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2170 1.2530 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4450 0.5150 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5310 -0.0970 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5250 -0.0980 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2690 1.2330 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- M END
- $$$$
- dan067.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.1490 -0.1030 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0080 -0.7860 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0910 0.9190 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1540 -0.2580 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1040 -0.3440 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1950 -1.3620 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2410 0.3340 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2900 -0.1780 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0200 -1.1070 -0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6570 1.1210 -0.1090 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9750 1.7640 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- M END
- $$$$
- dan068.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 1.0650 -0.6480 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9490 -0.6460 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4930 -1.6050 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2460 -0.3840 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8750 -1.2760 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0760 -0.2270 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0210 0.7970 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9850 0.8950 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2190 0.6600 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4810 1.7390 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3980 0.6930 -0.1690 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- M END
- $$$$
- dan069.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- 0.2430 1.2600 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2180 1.3100 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2430 2.1600 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2920 1.2890 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4380 0.0000 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4190 0.0010 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2410 -1.2600 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2900 -1.2910 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2460 -2.1600 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2160 -1.3110 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1560 0.0010 -0.0970 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- M END
- $$$$
- dan070.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- -1.0220 0.7930 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1400 0.7590 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0200 0.8180 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5190 1.7280 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2540 -0.4210 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1460 -0.3580 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8500 -1.3170 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1140 -0.5900 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5760 -1.5260 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0290 -0.6160 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2310 0.7290 0.1810 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- M END
- $$$$
- dan071.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- -0.2680 1.2660 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2010 2.1660 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3340 1.3070 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1760 1.3110 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3640 0.0000 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2870 0.0000 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2690 -1.2660 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3350 -1.3060 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2000 -2.1660 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1770 -1.3110 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5060 0.0000 0.0660 I 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- M END
- $$$$
- dan072.sdf
- MOE2004 3D
- 11 10 0 0 0 0 0 0 0 0999 V2000
- -0.9960 0.8380 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2260 0.6650 -1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9420 1.0020 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4130 1.7600 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2620 -0.3520 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0590 -0.1610 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9390 -1.2130 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0180 -0.7230 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3510 -1.7170 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8490 -0.7590 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6210 0.6600 0.1520 I 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- M END
- $$$$
- dan073.sdf
- MOE2004 3D
- 12 11 0 0 0 0 0 0 0 0999 V2000
- -1.2610 0.3750 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3080 0.4020 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1520 -0.1640 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3110 1.4010 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.3310 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.3780 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2620 0.3740 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3140 1.3990 0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1520 -0.1680 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3080 0.4020 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0010 -1.6720 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0030 -1.6400 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan074.sdf
- MOE2004 3D
- 12 11 0 0 0 0 0 0 0 0999 V2000
- -1.7760 -0.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8780 -0.9780 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8790 -0.9760 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5910 0.3960 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4280 0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3320 0.9890 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3320 0.9880 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5950 -0.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8970 -0.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0440 0.5540 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6360 -0.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0440 0.5540 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- M END
- $$$$
- dan075.sdf
- MOE2004 3D
- 12 11 0 0 0 0 0 0 0 0999 V2000
- -1.5140 0.1340 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6480 0.7640 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3050 -0.6220 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6420 0.7600 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1480 -0.5310 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0490 -1.1880 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0570 -1.1810 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9800 0.4930 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9340 1.1390 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9310 1.1280 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2360 -0.1740 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2820 -0.7210 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan076.sdf
- MOE2004 3D
- 13 12 0 0 1 0 0 0 0 0999 V2000
- -1.4150 -0.4820 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2600 0.0730 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4640 -1.5140 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5480 -0.4820 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1000 0.1770 -0.3480 C 0 0 3 0 0 0 0 0 0 0 0 0
- -0.0620 1.5190 0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8420 1.9830 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1040 -0.5620 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0520 -0.6030 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1800 -1.5810 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2910 0.1490 -0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0700 1.0880 0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0060 0.2350 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 8 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan077.sdf
- MOE2004 3D
- 13 12 0 0 0 0 0 0 0 0999 V2000
- -1.2590 0.4420 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2950 1.0680 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3100 1.0980 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.4110 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0010 -1.0680 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0020 -1.0950 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2600 0.4420 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3120 1.0910 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2960 1.0740 1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4100 -0.3940 0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3970 -0.9200 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4110 -0.3940 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3920 -0.9350 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 12 1 0 0 0 0
- 10 11 1 0 0 0 0
- 12 13 1 0 0 0 0
- M END
- $$$$
- dan078.sdf
- MOE2004 3D
- 12 11 0 0 0 0 0 0 0 0999 V2000
- 0.4090 1.2600 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3920 1.3110 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0670 2.1650 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4580 1.2840 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2740 0.0000 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2370 0.0000 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4060 -1.2610 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4550 -1.2870 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0730 -2.1650 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3910 -1.3110 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0320 0.0020 0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8270 0.0010 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan079.sdf
- MOE2004 3D
- 12 11 0 0 0 0 0 0 0 0999 V2000
- -1.5560 0.0980 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7110 0.7170 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7130 0.7230 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3180 -0.6880 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1650 -0.5150 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0610 -1.1590 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0650 -1.1540 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9140 0.5650 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8230 1.2030 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8220 1.2020 0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5700 -0.1800 0.1000 S 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4600 -0.8110 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan080.sdf
- MOE2004 2D
- 9 9 0 0 0 0 0 0 0 0999 V2000
- 0.5810 -1.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0890 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7430 -0.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5950 -1.3760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7500 0.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6090 1.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5700 1.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0690 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3880 0.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 2 0 0 0 0
- 1 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 2 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- M END
- $$$$
- dan081.sdf
- MOE2004 2D
- 9 9 0 0 0 0 0 0 0 0999 V2000
- 0.5660 -1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8580 -2.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7100 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6010 -1.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7090 0.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5980 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5680 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8620 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7620 -0.0010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 2 0 0 0 0
- 1 9 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 2 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- M END
- $$$$
- dan082.sdf
- MOE2004 3D
- 11 11 0 0 0 0 0 0 0 0999 V2000
- 0.5120 -1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7290 -1.7610 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7290 -1.7610 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8790 -0.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7590 -1.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8800 0.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7610 1.2910 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5100 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7250 1.7620 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7250 1.7630 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3500 0.0010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 2 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- M END
- $$$$
- dan083.sdf
- MOE2004 3D
- 12 11 0 0 0 0 0 0 0 0999 V2000
- -0.9210 0.9200 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7190 1.5270 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9900 0.6820 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7320 1.5260 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0720 -0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6150 -1.5370 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0090 -2.4390 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6910 -1.6820 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4100 -0.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1360 -1.2220 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9170 1.0150 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2850 1.7560 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 9 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 9 10 2 0 0 0 0
- 9 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan084.sdf
- MOE2004 3D
- 14 13 0 0 1 0 0 0 0 0999 V2000
- 0.1320 1.6430 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2640 2.6480 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1550 1.4810 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7150 0.5790 -0.3780 C 0 0 3 0 0 0 0 0 0 0 0 0
- -0.5300 -0.8610 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2700 -1.5080 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7410 -0.9100 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8390 -1.4690 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8180 -2.5410 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1410 -1.3470 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6020 -1.0280 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8170 1.6850 -0.2490 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4460 1.0120 -0.1540 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5400 0.6150 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 12 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 13 1 0 0 0 0
- 4 14 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- M END
- $$$$
- dan085.sdf
- MOE2004 3D
- 14 13 0 0 1 0 0 0 0 0999 V2000
- -1.7270 -0.9350 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7000 -1.5540 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7520 -0.5680 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5100 -1.5800 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7390 0.2280 -0.0280 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.7390 -0.2280 -0.0270 C 0 0 3 0 0 0 0 0 0 0 0 0
- 1.7270 0.9350 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7020 1.5530 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7520 0.5680 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5080 1.5810 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1450 1.2630 1.3820 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1450 -1.2630 1.3810 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9040 0.8560 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9040 -0.8560 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 11 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 12 1 0 0 0 0
- 6 14 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- M END
- $$$$
- dan086.sdf
- MOE2004 3D
- 13 12 0 0 0 0 0 0 0 0999 V2000
- 1.7110 -0.0660 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7260 -0.2370 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6210 -0.7720 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6800 -0.4970 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8150 -1.8460 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7560 -0.4530 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4910 -1.1350 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7670 -0.6250 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1900 0.9780 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1950 1.1540 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2100 1.1780 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5150 1.7010 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5710 0.6210 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 13 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- M END
- $$$$
- dan087.sdf
- MOE2004 3D
- 13 12 0 0 0 0 0 0 0 0999 V2000
- 1.5430 -0.2240 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4240 -0.8660 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4380 0.8140 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5580 -0.3560 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5210 -0.5690 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6830 -1.5910 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6210 0.0940 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8900 -0.4700 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5190 -1.4710 -0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4800 0.9080 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5320 0.8290 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4230 1.4340 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9430 1.4670 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 2 0 0 0 0
- 8 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- M END
- $$$$
- dan088.sdf
- MOE2004 3D
- 13 12 0 0 0 0 0 0 0 0999 V2000
- -0.6070 -1.2600 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8070 -1.3040 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5670 -1.3010 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0380 -2.1580 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1650 0.0000 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3580 0.0000 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6080 1.2600 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5660 1.3010 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8090 1.3030 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0390 2.1580 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4950 0.0010 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4510 0.0020 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5730 0.0000 -0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 2 0 0 0 0
- M END
- $$$$
- dan089.sdf
- MOE2004 3D
- 13 13 0 0 0 0 0 0 0 0999 V2000
- -1.5100 -0.0030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6940 1.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9400 1.7630 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9410 1.7640 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7590 0.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2790 1.1540 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2780 1.1530 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7620 -0.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2830 -1.1490 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2820 -1.1490 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6900 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9330 -1.7670 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9340 -1.7670 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- M END
- $$$$
- dan090.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.3500 0.5960 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5970 1.2260 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2680 0.4330 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6520 1.1440 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7670 -0.7370 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5330 -1.3420 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5320 -1.2800 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4720 -0.5770 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7440 -1.5410 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2840 0.0960 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6670 -0.1060 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3440 -0.8350 -0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9070 1.2240 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2810 1.7000 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 2 0 0 0 0
- 11 13 1 0 0 0 0
- 13 14 1 0 0 0 0
- M END
- $$$$
- dan091.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.9790 0.2870 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0920 -0.5750 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9730 0.6570 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4590 1.0630 1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1950 -0.0980 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0840 0.7540 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7330 -0.8770 -1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0810 -0.6420 -0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0880 0.2630 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9930 1.4770 -0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3510 -0.4530 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2010 -1.0080 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1500 0.2780 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6500 -1.1270 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 2 0 0 0 0
- 9 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- M END
- $$$$
- dan092.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- -0.6090 1.0680 0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0240 1.9930 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6460 1.3140 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5800 0.7180 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0530 0.0140 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0750 0.3950 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9020 -1.2560 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4930 -2.0180 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9360 -1.6870 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9300 -1.0480 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3940 -0.2940 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7720 -1.2880 0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2530 0.6720 -0.3760 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8300 1.4170 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 2 0 0 0 0
- 11 13 1 0 0 0 0
- 13 14 1 0 0 0 0
- M END
- $$$$
- dan093.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- -2.3880 0.2680 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8570 -0.4970 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9580 1.1960 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4050 -0.0330 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0470 0.5180 0.2820 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2310 -0.5770 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5600 -1.6970 -0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1600 -0.2100 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6240 -1.0990 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1010 0.5390 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9820 0.3000 -0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0590 -0.4570 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5270 1.1920 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9940 0.5580 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- M END
- $$$$
- dan094.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 2.0010 -0.2300 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4540 0.7310 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0290 -0.3360 1.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6170 -1.0240 -0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5780 -0.3240 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5760 -0.2550 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1620 -1.3090 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3120 0.7710 0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3480 0.7230 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0800 1.7580 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6330 0.6790 -0.4510 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5010 -0.1640 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0440 -0.6860 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6590 -0.3330 -0.1740 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 2 0 0 0 0
- M END
- $$$$
- dan095.sdf
- MOE2004 3D
- 13 13 0 0 0 0 0 0 0 0999 V2000
- -1.7430 0.5950 0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0200 -1.0610 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0940 -1.3870 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5500 -1.7800 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4300 -0.8950 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0460 -1.7160 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5150 -0.9070 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8880 0.4450 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8770 0.7180 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9640 0.4020 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1580 1.4630 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0170 1.7680 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1380 2.3560 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 2 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- M END
- $$$$
- dan096.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- 1.8060 -0.5640 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8360 -1.1910 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8380 -1.1990 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6020 0.3640 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6360 1.0170 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6330 1.0210 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7040 -0.4280 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7450 -1.0820 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7480 -1.0750 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9150 0.4900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8380 -0.0980 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9210 1.1280 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9240 1.1350 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4440 0.4810 -0.0010 Br 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- M END
- $$$$
- dan097.sdf
- MOE2004 3D
- 14 13 0 0 1 0 0 0 0 0999 V2000
- -1.0810 -1.1800 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7840 -1.0260 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5060 -2.0220 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1360 -1.4750 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8720 0.0640 0.5360 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.5910 0.4800 0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0860 -0.2640 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6430 1.4290 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4040 0.6100 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4870 -0.3480 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9700 1.3420 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4210 0.9410 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9010 1.5380 -0.2360 Br 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3230 -0.0900 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- M END
- $$$$
- dan098.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- -1.9150 0.4580 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9350 1.0980 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8250 -0.1490 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9360 1.1010 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6840 -0.4340 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7130 -1.0840 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7110 -1.0850 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6050 0.3870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6240 1.0410 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6250 1.0370 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8330 -0.5170 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8550 -1.1570 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8530 -1.1540 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3230 0.4560 -0.0010 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- M END
- $$$$
- dan099.sdf
- MOE2004 3D
- 14 13 0 0 1 0 0 0 0 0999 V2000
- -1.2310 1.0410 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8860 0.9490 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7870 1.9470 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3160 1.1880 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8700 -0.1800 -0.5110 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.6420 -0.3570 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0250 0.5060 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8200 -1.2310 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4660 -0.5070 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3980 0.3840 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1520 -1.3730 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5220 -0.6480 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5950 -1.6430 0.2230 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3400 -0.0760 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- M END
- $$$$
- dan100.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- -0.1140 1.4510 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2370 1.9680 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2380 2.0180 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2090 1.4990 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3740 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1150 -0.7610 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2350 -1.7990 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2390 -0.2940 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2090 -0.7840 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1140 -0.6900 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2380 -1.7260 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2090 -0.7130 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2370 -0.1700 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1700 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- M END
- $$$$
- dan101.sdf
- MOE2004 3D
- 14 13 0 0 0 0 0 0 0 0999 V2000
- -1.2570 -0.7830 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1890 -1.8110 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4550 -0.8250 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1190 -0.3130 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0280 -0.0080 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1660 -0.0010 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1200 1.4410 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7410 2.0500 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0080 1.9050 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2200 1.4950 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2250 -0.7160 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1630 -0.6790 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2650 -1.7680 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7800 0.0140 -0.2180 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- M END
- $$$$
- dan102.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- -2.1100 -0.3370 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1560 -0.9730 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9990 0.3020 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1510 -0.9810 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8490 0.5120 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8510 1.1570 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8570 1.1690 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4100 -0.3520 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4130 -1.0060 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4200 -1.0210 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6760 0.4970 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7170 1.1310 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7270 1.1430 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8220 -0.3450 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7880 -0.8960 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan103.sdf
- MOE2004 3D
- 15 14 0 0 1 0 0 0 0 0999 V2000
- -1.8910 0.5680 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0500 0.5890 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8560 1.5980 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7650 0.0730 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6190 -0.1920 -0.2950 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.6140 0.4750 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5420 0.4430 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6520 1.5300 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9190 -0.1930 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9770 -1.2210 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0260 -0.2100 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7700 0.3560 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7630 -1.5240 0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0360 -2.0550 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5210 -0.2380 -1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- M END
- $$$$
- dan104.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- -2.3990 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1280 1.5140 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0240 0.2550 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0220 0.2590 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1850 -0.4590 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1940 -1.0960 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1940 -1.0980 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.3430 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1850 -0.4590 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1940 -1.0960 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1940 -1.0980 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3990 0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0240 0.2570 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1280 1.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0220 0.2570 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- M END
- $$$$
- dan105.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- 1.1020 -0.6730 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1850 -1.7170 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0630 -0.6620 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1400 -0.0070 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0310 0.0100 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2800 1.4420 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5850 2.0420 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3710 1.5020 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1690 1.9090 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3960 -0.8040 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3190 -1.8330 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2830 -0.3550 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5560 -0.8420 -1.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2870 0.0040 0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3210 -0.0160 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 10 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan106.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- -1.2780 0.6440 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1650 0.1130 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3410 0.7270 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3300 1.6530 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0020 -0.0700 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2420 0.7110 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2420 1.7200 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3010 0.7970 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1570 0.2260 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0390 -1.4940 0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9310 -2.0270 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0390 -1.5040 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8210 -2.0730 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0050 -0.1620 -1.6610 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0210 0.7410 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan107.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- -2.3220 0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1440 1.2100 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9220 -0.1100 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9250 -0.1160 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0300 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0030 -1.3390 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0040 -1.3390 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2100 0.2090 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2240 0.8440 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2230 0.8450 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3660 -0.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5840 0.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4230 1.1950 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1620 -0.1690 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1580 -0.1620 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- M END
- $$$$
- dan108.sdf
- MOE2004 3D
- 16 15 0 0 1 0 0 0 0 0999 V2000
- 2.9070 -0.1570 -0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6270 0.4550 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6910 0.4620 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6250 1.4410 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7230 0.6020 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5260 -0.4340 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5250 -0.5280 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6900 -1.4450 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8170 0.1120 0.2680 C 0 0 3 0 0 0 0 0 0 0 0 0
- -1.9680 -0.7960 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0410 -0.8630 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8470 -1.8050 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9220 -0.3930 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0230 1.4090 -0.2870 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8910 1.7270 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8050 0.2120 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 14 1 0 0 0 0
- 9 16 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan109.sdf
- MOE2004 3D
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 2.8610 0.2810 -0.1960 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3590 1.0340 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5110 0.4270 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1370 1.3820 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4890 0.4460 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7010 -0.7450 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1790 -1.6800 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7490 -0.7480 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7550 -0.7510 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2300 -1.6830 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8020 -0.7720 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5690 0.4270 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2060 1.3810 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5320 0.4720 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9310 0.2810 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9620 0.2470 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
- 3 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- M END
- $$$$
- dan110.sdf
- MOE2004 3D
- 16 15 0 0 1 0 0 0 0 0999 V2000
- 1.6340 1.0630 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6230 0.9190 0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7830 1.0860 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2520 2.0370 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6960 -0.0740 0.3220 C 0 0 3 0 0 0 0 0 0 0 0 0
- 1.2840 -1.3130 -0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1450 -1.3870 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6960 0.0740 -0.3220 C 0 0 3 0 0 0 0 0 0 0 0 0
- -1.2840 1.3130 0.0790 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1450 1.3880 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6340 -1.0630 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6230 -0.9180 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2530 -2.0360 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7820 -1.0870 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5990 -0.0810 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5990 0.0810 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 8 1 0 0 0 0
- 5 15 1 0 0 0 0
- 6 7 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 11 1 0 0 0 0
- 8 16 1 0 0 0 0
- 9 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- M END
- $$$$
- dan111.sdf
- MOE2004 3D
- 16 15 0 0 0 0 0 0 0 0999 V2000
- -1.2560 0.7290 0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3250 0.7030 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2490 1.7800 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.0000 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -0.0080 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2550 0.7290 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2480 1.7800 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3250 0.7040 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -1.4670 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8800 -1.9960 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8820 -1.9950 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0010 -1.5510 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4340 0.1280 -0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3790 0.1670 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4330 0.1280 -0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3800 0.1680 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 13 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 9 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 15 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- 15 16 1 0 0 0 0
- M END
- $$$$
- dan112.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- -2.1240 0.3910 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1480 1.0310 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0350 -0.2150 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1420 1.0340 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8950 -0.5020 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9220 -1.1520 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9260 -1.1530 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3970 0.3170 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4110 0.9630 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4110 0.9720 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6230 -0.5940 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6240 -1.2330 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6280 -1.2420 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1520 0.3870 0.0800 S 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9460 0.9970 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan113.sdf
- MOE2004 3D
- 15 14 0 0 1 0 0 0 0 0999 V2000
- 1.8500 -0.3340 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9660 -0.2690 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9920 0.6640 0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6500 -0.9720 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4920 -0.9140 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4740 -1.9580 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4060 -0.9290 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6850 -0.1470 -0.3120 C 0 0 3 0 0 0 0 0 0 0 0 0
- -2.2390 -1.0340 0.0710 S 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0450 -0.2710 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8010 1.2910 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6770 1.7950 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8770 1.3350 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0720 1.8800 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5790 -0.1380 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 11 1 0 0 0 0
- 8 15 1 0 0 0 0
- 9 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- M END
- $$$$
- dan114.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- -0.2820 0.9990 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0460 0.7020 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0680 2.0220 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3770 1.0310 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2180 0.0280 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2790 -1.3940 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0780 -2.1120 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0460 -1.7440 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3740 -1.4330 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2520 0.4820 -1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1020 -0.1890 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3460 0.4950 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0940 1.4950 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0550 0.0240 -0.0630 S 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2030 -0.4060 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan115.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- -0.9450 -1.1690 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3060 -1.2200 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8180 -1.1730 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3710 -2.0790 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0890 0.0770 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2010 0.0770 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9290 1.3340 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3430 2.2370 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8020 1.3520 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2880 1.3840 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1510 0.0670 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1730 0.9410 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1720 -0.8200 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6980 0.0770 -0.3400 S 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4950 -1.0860 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan116.sdf
- MOE2004 3D
- 15 14 0 0 0 0 0 0 0 0999 V2000
- -2.4070 -0.6610 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2530 -0.8580 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4780 -0.7260 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8970 -1.4220 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8200 0.9970 -0.3730 S 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1260 0.9130 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1710 0.6230 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2840 1.9280 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7710 -0.0350 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7650 0.2330 -1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4100 -1.0660 -0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2050 0.0120 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8320 -0.6790 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6260 1.0160 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2590 -0.2740 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
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- 5 6 1 0 0 0 0
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- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- M END
- $$$$
- dan117.sdf
- MOE2004 3D
- 12 12 0 0 0 0 0 0 0 0999 V2000
- -1.7080 -0.5680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5300 -1.2720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3340 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0280 -1.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8860 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8170 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3940 1.6420 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5010 0.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9930 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3940 1.2120 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3760 -0.3210 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3760 -0.3190 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 5 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 8 2 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- M END
- $$$$
- dan118.sdf
- MOE2004 3D
- 16 15 0 0 0 0 0 0 0 0999 V2000
- -1.0090 1.2120 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4750 2.0500 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0510 1.3960 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0370 1.2180 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3250 -0.1130 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4000 -0.2770 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0050 -1.2850 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0340 -1.4040 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0430 -1.1430 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4700 -2.2210 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1630 -0.0620 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0060 -0.2060 1.2820 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5820 0.1670 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6750 0.1770 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2120 -0.6400 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2120 1.1320 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 2 0 0 0 0
- 11 13 1 0 0 0 0
- 13 14 1 0 0 0 0
- 13 15 1 0 0 0 0
- 13 16 1 0 0 0 0
- M END
- $$$$
- dan119.sdf
- MOE2004 3D
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 2.1870 -0.6070 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2690 -0.5560 1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6580 -1.5380 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7530 0.2280 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7330 -0.5650 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6880 -0.6500 -1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2110 -1.4350 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0470 0.7270 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0940 0.8070 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5940 1.5860 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4040 0.8100 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8020 1.8100 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4830 0.6310 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2780 -0.1710 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2610 -0.0990 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0050 -0.9790 -0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 2 0 0 0 0
- M END
- $$$$
- dan120.sdf
- MOE2004 3D
- 16 15 0 0 0 0 0 0 0 0999 V2000
- 1.6890 -0.7840 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9220 -1.6890 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9580 -1.0430 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6040 -0.4570 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1680 0.3170 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9590 0.5890 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9590 1.2110 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0700 -0.1050 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1360 -1.0130 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3410 0.6720 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2770 -0.3580 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7420 -1.4860 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8750 0.8220 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8620 0.5530 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9940 1.6590 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2330 1.1120 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 2 0 0 0 0
- 11 13 1 0 0 0 0
- 13 14 1 0 0 0 0
- 13 15 1 0 0 0 0
- 13 16 1 0 0 0 0
- M END
- $$$$
- dan121.sdf
- MOE2004 3D
- 16 15 0 0 0 0 0 0 0 0999 V2000
- -1.8590 -0.5450 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9830 -0.0230 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8330 -0.9370 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1910 -1.3940 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3050 0.3860 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1630 -0.1480 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0140 1.1960 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0020 1.0090 -0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2890 0.3590 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9960 1.1570 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1130 -0.2100 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8700 -0.5350 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8280 -0.9520 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0350 0.0230 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1980 -1.3670 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0160 1.9810 0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 16 2 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- M END
- $$$$
- dan122.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- -2.6040 -0.3530 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0500 0.6100 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7550 -0.5180 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1430 -1.1360 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1260 -0.3880 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0140 -0.2610 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7230 -1.3750 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3470 0.7060 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4560 0.5560 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7720 1.6870 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1350 0.7040 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6310 1.5440 -0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2620 0.8080 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7280 -0.5250 -0.4220 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0570 -0.6370 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4160 -1.6080 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7630 0.1850 0.4130 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 2 0 0 0 0
- M END
- $$$$
- dan123.sdf
- MOE2004 3D
- 17 16 0 0 1 0 0 0 0 0999 V2000
- 0.0910 1.5590 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7360 2.3520 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9410 1.9210 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3800 1.3980 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2440 0.2840 -0.6290 C 0 0 3 0 0 0 0 0 0 0 0 0
- -0.4920 -0.9390 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1230 -1.1770 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2560 -1.8150 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0020 -0.7650 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2870 0.0280 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4090 -0.5240 -0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4740 -1.6910 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6390 -0.0150 -0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4640 -0.2940 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9520 -0.2590 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6510 -0.5580 0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1720 0.4930 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 2 0 0 0 0
- M END
- $$$$
- dan124.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- -0.4040 -0.4660 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1590 0.2350 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2220 -1.3490 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4480 -0.7770 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1590 0.1720 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1100 1.3630 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9380 2.1170 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1610 1.0580 0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9380 1.8670 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4050 -0.8290 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1590 -0.3840 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4480 -1.1610 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2220 -1.7200 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1750 0.7310 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2710 -0.0680 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0180 -1.1270 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4210 0.3400 0.0490 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- 14 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 2 0 0 0 0
- M END
- $$$$
- dan125.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.3000 -0.2520 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8000 -1.2250 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7540 -0.1610 -1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0610 0.5330 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3620 -0.1570 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9360 -0.2760 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8790 0.8210 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4090 -1.2350 0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8070 -1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5320 -2.1640 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2500 0.1440 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9140 -0.0820 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4140 0.6930 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9990 0.9750 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3400 1.9140 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8760 0.4370 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3690 1.2130 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 2 0 0 0 0
- 9 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- M END
- $$$$
- dan126.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- -1.5680 -1.1520 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1610 -2.1450 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1130 -0.8100 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2890 -1.2590 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4550 -0.1770 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0480 -0.5590 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0390 1.1910 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2590 1.8820 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7690 1.1020 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5460 1.6440 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5730 -0.0690 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1060 0.3610 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9510 -1.0560 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6610 0.7980 0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6730 0.2170 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4390 0.9800 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7490 -0.9490 -0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 2 0 0 0 0
- M END
- $$$$
- dan127.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- -2.6900 -0.6570 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6030 -0.7400 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6970 -1.6480 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6330 -0.1560 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5490 0.1490 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6780 1.2020 0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3660 -0.4700 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8290 0.1890 0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6650 0.6440 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2440 1.2550 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4710 2.0230 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1770 1.7430 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3790 0.8190 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9100 -0.8750 0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5990 -1.6460 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0860 -1.3850 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8550 -0.4440 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 14 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- M END
- $$$$
- dan128.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.1870 0.4370 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7200 0.9280 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7550 1.2110 1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9220 -0.1150 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1190 -0.5100 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6110 -1.3070 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6150 -0.9830 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1080 0.1870 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6250 0.7870 -1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4700 -0.5420 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8170 1.1140 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5540 2.3030 0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9390 0.5750 0.4550 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3700 -0.7650 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6220 -1.4930 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2850 -0.9430 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6040 -0.8840 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 2 0 0 0 0
- 11 13 1 0 0 0 0
- 13 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- M END
- $$$$
- dan129.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- -0.5990 1.4350 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3030 1.8650 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4290 1.6270 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8040 1.9740 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4350 -0.0660 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2180 -0.5440 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7430 -0.6520 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6570 -1.7340 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0190 -0.2050 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5650 -0.4760 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7110 -0.3530 0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5900 0.2250 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7220 -1.4060 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0670 -0.0270 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7260 0.9550 0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4870 -0.9410 -0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8630 -1.6790 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 2 0 0 0 0
- 14 16 1 0 0 0 0
- 16 17 1 0 0 0 0
- M END
- $$$$
- dan130.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- -0.4850 0.6150 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0870 0.1420 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1640 1.6610 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5780 0.6090 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0030 -0.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4860 0.6130 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0930 0.1360 -2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5790 0.6110 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1610 1.6580 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5860 -1.5400 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2630 -2.1040 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2630 -2.1030 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6820 -1.5240 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5320 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1670 -1.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1590 1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5710 1.7830 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- 14 15 2 0 0 0 0
- 14 16 1 0 0 0 0
- 16 17 1 0 0 0 0
- M END
- $$$$
- dan131.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.2780 0.2830 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2090 -0.1400 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8810 -0.3940 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8070 1.2380 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8970 0.4850 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3420 1.1960 0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0020 0.9360 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1330 -0.8370 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7220 -1.5460 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0170 -1.2740 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2350 -0.6760 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1580 -0.1640 -1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6630 -1.6610 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2160 0.0390 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7930 -0.4930 1.1190 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3790 1.3490 -0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8440 1.6590 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 2 0 0 0 0
- 14 16 1 0 0 0 0
- 16 17 1 0 0 0 0
- M END
- $$$$
- dan132.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.1160 -0.6510 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3600 -1.4030 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8390 -0.6210 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6440 -0.9780 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4900 0.7210 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2820 1.4580 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9750 1.0050 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5120 0.7510 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0250 0.4630 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1260 1.7640 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5640 -0.1810 0.7230 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6280 0.2750 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7360 1.3860 -0.5010 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6640 -0.8040 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9700 -1.1310 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5440 -0.4100 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2640 -1.6430 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 12 13 2 0 0 0 0
- 12 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- M END
- $$$$
- dan133.sdf
- MOE2004 3D
- 17 16 0 0 0 0 0 0 0 0999 V2000
- 2.4260 0.3400 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8740 -0.5670 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5480 0.3120 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9850 1.2000 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9590 0.4530 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8760 0.5060 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5650 1.3920 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1500 -0.7340 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1980 -0.7570 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6100 -1.6650 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3130 -0.7240 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7730 -1.6670 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3580 -0.7060 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1110 0.4430 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7420 1.4050 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0740 0.4480 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8210 0.3210 0.1690 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- M END
- $$$$
- dan134.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.1690 -0.8470 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2330 -1.5340 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2290 -1.4540 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1440 -0.0350 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2480 0.9120 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1660 0.3610 -2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2080 1.4400 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5390 1.6740 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3210 -0.0110 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3810 0.4590 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3310 -1.0120 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3300 -1.6160 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3000 -1.6990 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2880 -0.4790 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2020 0.7980 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1210 0.1600 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6100 1.5320 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1450 1.3500 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 11 1 0 0 0 0
- 4 15 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 9 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- M END
- $$$$
- dan135.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.3710 -0.4460 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5470 -1.3430 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8930 -0.7750 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3370 0.0040 -0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4980 0.5410 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0230 0.8600 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3030 1.4360 -0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2800 -0.0850 0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7640 -0.0790 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3460 -0.2290 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6930 -1.2430 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5200 -1.3030 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1420 -2.1890 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1090 -1.1520 1.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5260 1.2420 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8760 2.0850 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3690 1.2440 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9060 1.4330 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 15 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- M END
- $$$$
- dan136.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 3.0070 0.1720 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4390 -0.8300 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9810 0.4240 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6630 0.8810 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6110 0.2010 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6510 -0.0660 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1910 1.2070 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8040 -0.7460 -0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5340 -0.8380 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5310 -0.8520 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9290 -1.8040 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4120 0.2840 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3510 0.2980 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0390 1.2580 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8600 0.1300 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4660 0.9450 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2800 -0.8150 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9480 0.1520 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- M END
- $$$$
- dan137.sdf
- MOE2004 3D
- 18 17 0 0 1 0 0 0 0 0999 V2000
- -0.1810 -1.4460 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9490 -2.1880 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1260 -1.3750 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5110 -0.0820 0.2820 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.3630 1.0690 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0070 2.0140 0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2410 1.1550 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8460 0.9480 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3640 1.8750 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0080 0.7690 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3170 0.1410 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9860 0.2480 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2080 0.3250 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6350 -0.5250 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2580 1.1980 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0600 -1.9540 0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9970 -2.0250 1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3490 -0.1460 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 16 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 12 1 0 0 0 0
- 4 18 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 11 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- 16 17 1 0 0 0 0
- M END
- $$$$
- dan138.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- -0.5710 1.3910 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1960 2.0370 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5310 1.8280 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4930 1.4410 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4490 -0.0500 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8580 -0.7270 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8910 -1.7490 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8740 -0.8090 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1320 -0.0260 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0090 -0.6100 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1610 0.0860 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2310 0.9650 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6530 -0.8750 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5920 -0.4410 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6120 -1.8920 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6980 -0.9390 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4630 -0.0260 -1.6090 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2900 0.3980 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 5 17 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- 13 15 1 0 0 0 0
- 13 16 1 0 0 0 0
- 17 18 1 0 0 0 0
- M END
- $$$$
- dan139.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.9030 -0.0170 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6150 -0.6140 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8780 0.9810 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5240 -0.6750 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6310 -1.7000 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1820 -0.7520 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5400 0.0410 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1930 0.0850 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8040 1.4710 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0820 2.1020 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0990 1.4940 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6080 1.9330 0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8450 -0.7590 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6860 -1.7750 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6010 -0.2870 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2550 -0.8330 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3980 0.0980 0.8610 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4180 -0.7950 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 17 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 4 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 13 1 0 0 0 0
- 9 10 1 0 0 0 0
- 9 11 1 0 0 0 0
- 9 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- 13 15 1 0 0 0 0
- 13 16 1 0 0 0 0
- 17 18 1 0 0 0 0
- M END
- $$$$
- dan140.sdf
- MOE2004 3D
- 18 17 0 0 1 0 0 0 0 0999 V2000
- -1.9810 -0.5380 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0300 -1.2350 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8710 -1.1070 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9490 -0.0250 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8550 0.4760 0.2560 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.5510 -0.1660 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6240 -0.7140 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8250 -1.1540 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1290 -1.9970 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7410 -0.6750 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8350 -1.5690 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6460 0.9060 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4730 1.6330 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6280 0.4540 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6960 1.4500 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0570 1.1380 -0.9920 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4480 1.8950 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9570 1.2280 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 16 1 0 0 0 0
- 5 18 1 0 0 0 0
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- 8 11 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- 16 17 1 0 0 0 0
- M END
- $$$$
- dan141.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.7740 0.4020 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8660 0.4120 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2630 -0.5010 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3140 1.2690 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3150 0.4530 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8700 1.3850 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2620 0.4790 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5330 -0.7510 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0060 -1.6790 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5730 -0.7470 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9230 -0.7390 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9830 -0.7090 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4230 -1.6490 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5840 0.4040 0.3880 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9490 0.4700 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4940 -0.4160 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4010 1.3560 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0190 0.5610 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
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- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- M END
- $$$$
- dan142.sdf
- MOE2004 3D
- 18 17 0 0 1 0 0 0 0 0999 V2000
- -2.0840 0.9380 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0680 1.1400 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1300 0.8730 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6310 1.7900 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3560 -0.3600 0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4040 -0.5190 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8880 -1.1920 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1070 -0.3400 -0.1810 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.7640 -1.6900 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8250 -1.8800 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2090 -2.5080 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7890 -1.7200 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7850 0.7030 0.5400 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9970 1.1290 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7370 0.3240 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8040 1.4830 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4050 1.9590 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1380 -0.1290 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 5 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 13 1 0 0 0 0
- 8 18 1 0 0 0 0
- 9 10 1 0 0 0 0
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- 9 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- M END
- $$$$
- dan143.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- -0.4330 -1.2540 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2470 -2.1630 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2960 -1.2470 1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4280 -1.3280 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3080 -0.0030 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4280 1.2740 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2370 2.1650 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4230 1.3670 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3000 1.2890 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4320 -0.0170 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3620 -0.9040 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4230 -0.0060 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3570 0.8490 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9170 -0.0180 -0.9250 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1390 -0.0040 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2310 -0.8890 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9630 -0.0200 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2330 0.9080 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 5 14 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 6 9 1 0 0 0 0
- 10 11 1 0 0 0 0
- 10 12 1 0 0 0 0
- 10 13 1 0 0 0 0
- 14 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- M END
- $$$$
- dan144.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.9380 -0.4460 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5680 -1.3980 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9030 -0.4870 -1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1340 0.7380 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6200 1.6660 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1780 0.7540 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3220 0.7500 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3550 0.7530 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7800 1.6910 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1440 -0.4220 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0770 -0.4530 1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7470 -1.3700 -0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6050 -0.3120 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1730 -1.1630 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0560 0.6030 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7110 -0.3040 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3010 -0.3120 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3270 -0.2890 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 17 1 0 0 0 0
- 4 5 1 0 0 0 0
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- 7 10 1 0 0 0 0
- 10 11 1 0 0 0 0
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- 10 13 1 0 0 0 0
- 13 14 1 0 0 0 0
- 13 15 1 0 0 0 0
- 13 16 1 0 0 0 0
- 17 18 1 0 0 0 0
- M END
- $$$$
- dan145.sdf
- MOE2004 3D
- 18 17 0 0 1 0 0 0 0 0999 V2000
- -2.3990 -0.7670 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4760 -0.8520 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2570 -1.7670 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3590 -0.3760 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2650 0.1690 0.3110 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.0850 -0.3510 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0790 -0.3750 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2330 -1.3800 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2640 0.5110 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2610 0.5930 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1740 1.5250 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5930 -0.0750 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4200 0.5570 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7430 -1.0760 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6410 -0.1470 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5470 1.4500 -0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9370 2.0910 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2530 0.2690 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
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- 5 6 1 0 0 0 0
- 5 16 1 0 0 0 0
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- 12 13 1 0 0 0 0
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- 12 15 1 0 0 0 0
- 16 17 1 0 0 0 0
- M END
- $$$$
- dan146.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 1.6580 -0.9920 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5450 -1.1480 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7070 -1.1690 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0730 -1.7450 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2590 0.4190 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2340 0.5010 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0610 1.0950 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0670 0.9190 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0790 0.7670 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3430 0.3330 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1860 0.9820 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2840 0.3770 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6890 -1.0790 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7140 -1.3220 0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6230 -1.1850 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0400 -1.8230 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1270 2.3310 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6150 2.7390 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
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- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 8 17 1 0 0 0 0
- 10 11 1 0 0 0 0
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- 10 13 1 0 0 0 0
- 13 14 1 0 0 0 0
- 13 15 1 0 0 0 0
- 13 16 1 0 0 0 0
- 17 18 1 0 0 0 0
- M END
- $$$$
- dan147.sdf
- MOE2004 3D
- 19 18 0 0 0 0 0 0 0 0999 V2000
- -2.7000 -0.4800 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3260 -0.8320 -0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8240 0.4010 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4250 1.1850 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3120 -0.1580 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8320 1.0250 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3930 1.6250 1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1790 1.7190 -0.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0060 0.0130 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6550 -0.5780 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6640 0.5670 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8500 -0.9520 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4040 -1.5940 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2000 -1.6140 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8470 -0.2710 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4560 -1.0200 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3370 0.3220 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7180 0.5900 0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1630 0.0530 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 1 0 0 0 0
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- 6 7 1 0 0 0 0
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- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- 18 19 1 0 0 0 0
- M END
- $$$$
- dan148.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.5980 0.9750 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7700 1.6520 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4080 1.5640 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9650 0.5130 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0800 -0.2910 0.9890 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9400 -1.2550 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6710 -2.1590 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4890 -1.5850 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3360 -0.5190 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8980 -1.1830 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0890 0.3660 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2390 -0.1240 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7330 0.5950 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4680 -1.0070 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5400 0.4950 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3490 1.4020 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0990 -0.2050 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1730 0.7670 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
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- 12 13 1 0 0 0 0
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- 12 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- M END
- $$$$
- dan149.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.4360 -0.0530 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3930 0.5710 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3980 0.5700 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3980 -0.5730 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1120 -1.2930 0.0040 S 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4130 -0.2320 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4740 0.6290 -1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3930 0.0220 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4270 1.1680 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3140 1.3880 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6110 -1.1960 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6140 -1.8340 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5580 -0.6430 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6230 -1.8470 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4650 0.6540 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3730 0.0650 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3200 1.4150 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4200 1.1900 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 11 1 0 0 0 0
- 6 15 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 7 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- M END
- $$$$
- dan150.sdf
- MOE2004 3D
- 18 17 0 0 0 0 0 0 0 0999 V2000
- 2.6300 -0.3190 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0790 0.5890 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7500 -0.2950 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1900 -1.1770 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1630 -0.4300 -0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0810 -0.4790 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7680 -1.3710 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3540 0.7540 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3990 0.7720 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8160 1.6870 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1090 0.7490 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5650 1.6900 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1470 0.7480 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9050 -0.4310 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5310 -1.3810 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8330 -0.4630 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6590 -0.2920 -0.0720 S 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4820 -0.3510 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
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- 8 9 1 0 0 0 0
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- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- 17 18 1 0 0 0 0
- M END
- $$$$
- dan151.sdf
- MOE2004 2D
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 0.1660 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2930 0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1270 -0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1660 -1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2930 -0.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1270 0.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5220 1.8840 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8930 -1.2420 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3710 -3.1260 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5220 -1.8840 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8930 1.2420 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3710 3.1260 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 6 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 11 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 10 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 9 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 8 1 0 0 0 0
- 6 7 1 0 0 0 0
- M END
- $$$$
- dan152.sdf
- MOE2004 2D
- 12 12 0 0 0 0 0 0 0 0999 V2000
- -1.1720 0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2320 -0.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0600 1.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2320 0.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1720 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0600 -1.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4190 -1.2610 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3020 1.4640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1170 2.7260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4190 1.2620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3020 -1.4640 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1170 -2.7260 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 3 1 0 0 0 0
- 1 8 1 0 0 0 0
- 2 6 1 0 0 0 0
- 2 7 1 0 0 0 0
- 3 4 2 0 0 0 0
- 3 9 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 10 1 0 0 0 0
- 5 6 2 0 0 0 0
- 5 11 1 0 0 0 0
- 6 12 1 0 0 0 0
- M END
- $$$$
- dan153.sdf
- MOE2004 2D
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 0.9760 1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7070 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3860 1.3700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7000 2.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3340 0.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9150 -0.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7810 -2.3340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3870 -0.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0020 0.7850 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0300 -2.3110 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0650 -0.6390 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 9 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
- 5 10 1 0 0 0 0
- 6 7 2 0 0 0 0
- 6 11 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 1 0 0 0 0
- 9 12 1 0 0 0 0
- M END
- $$$$
- dan154.sdf
- MOE2004 2D
- 12 12 0 0 0 0 0 0 0 0999 V2000
- 0.0000 -1.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -2.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2010 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2080 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1460 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 1.4490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2080 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1460 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2010 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6930 -1.5020 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6930 -1.5020 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 2 0 0 0 0
- 3 11 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 2 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 10 12 1 0 0 0 0
- M END
- $$$$
- dan155.sdf
- MOE2004 2D
- 12 12 0 0 0 0 0 0 0 0999 V2000
- -1.1270 0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0860 1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0990 2.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2930 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2350 1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2930 -0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2350 -1.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0860 -1.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0990 -2.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1270 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5850 1.6230 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5850 -1.6230 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 2 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 2 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 2 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 10 12 1 0 0 0 0
- M END
- $$$$
- dan156.sdf
- MOE2004 2D
- 12 12 0 0 0 0 0 0 0 0999 V2000
- -1.3890 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6980 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2370 -2.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6980 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2370 -2.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3890 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6980 1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2360 2.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6980 1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2370 2.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1090 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1090 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 9 1 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 2 0 0 0 0
- 6 7 1 0 0 0 0
- 6 12 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 2 0 0 0 0
- 9 10 1 0 0 0 0
- M END
- $$$$
- dan157.sdf
- MOE2004 2D
- 13 13 0 0 0 0 0 0 0 0999 V2000
- -1.0540 -0.7210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0270 -1.2030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0990 -1.5070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0180 -2.5900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3580 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2510 -1.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4580 0.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3140 1.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3840 2.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9340 0.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0420 1.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8370 0.9210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0110 1.2310 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 2 0 0 0 0
- 7 13 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan158.sdf
- MOE2004 3D
- 13 13 0 0 0 0 0 0 0 0999 V2000
- 0.4150 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6020 2.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5000 0.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5140 0.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2880 -1.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1360 -1.7490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0120 -1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1670 -2.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1010 -0.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8860 0.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9610 1.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6340 2.4550 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6930 -1.3670 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
- 5 7 1 0 0 0 0
- 7 8 1 0 0 0 0
- 7 9 2 0 0 0 0
- 9 10 1 0 0 0 0
- 9 13 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan159.sdf
- MOE2004 3D
- 13 13 0 0 0 0 0 0 0 0999 V2000
- -0.4790 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0030 -2.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9170 -1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4640 -2.0800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5980 0.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8990 1.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4300 2.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4960 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0520 2.2050 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1720 0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5450 0.0920 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8800 -0.8210 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3190 0.0880 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 2 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- M END
- $$$$
- dan160.sdf
- MOE2004 2D
- 13 13 0 0 0 0 0 0 0 0999 V2000
- 1.1270 -0.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4600 -1.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0240 -2.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9340 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4620 -2.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6500 -0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7360 -0.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9730 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5350 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4220 1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9350 2.1130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5000 -0.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8220 0.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 10 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 2 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 2 0 0 0 0
- 10 11 1 0 0 0 0
- 12 13 1 0 0 0 0
- M END
- $$$$
- dan161.sdf
- MOE2004 3D
- 14 14 0 0 0 0 0 0 0 0999 V2000
- -0.8550 0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3520 1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3720 2.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5580 0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5000 1.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5580 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5010 -1.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3520 -1.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3720 -2.4870 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8550 -0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0540 1.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8740 2.3310 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0540 -1.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8740 -2.3310 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 2 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 2 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 2 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 10 13 1 0 0 0 0
- 11 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- M END
- $$$$
- dan162.sdf
- MOE2004 2D
- 14 14 0 0 0 0 0 0 0 0999 V2000
- 1.1980 -0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2110 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1430 1.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 1.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 2.6210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2110 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1430 1.3930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1980 -0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -1.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -2.3500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3660 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1130 -0.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3660 -1.2820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1130 -0.6610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 9 2 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 2 0 0 0 0
- 4 5 1 0 0 0 0
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- 6 7 1 0 0 0 0
- 6 8 2 0 0 0 0
- 8 9 1 0 0 0 0
- 8 13 1 0 0 0 0
- 9 10 1 0 0 0 0
- 11 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- M END
- $$$$
- dan163.sdf
- MOE2004 2D
- 14 14 0 0 0 0 0 0 0 0999 V2000
- -0.6980 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2310 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6980 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2310 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3830 0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6970 1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2460 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6970 1.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2460 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3830 0.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7560 0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0950 -0.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7560 0.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0950 -0.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
- 5 13 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 2 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- M END
- $$$$
- dan164.sdf
- MOE2004 3D
- 17 17 0 0 0 0 0 0 0 0999 V2000
- -1.3820 0.0010 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5700 0.0010 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3600 0.0010 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6100 1.2580 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1690 2.1480 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5210 1.3000 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7800 1.2850 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7190 1.4040 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3520 2.1280 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5200 0.0000 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7800 -1.2850 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3510 -2.1280 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7200 -1.4060 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6110 -1.2580 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5240 -1.3010 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1710 -2.1470 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6950 0.0000 0.3500 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 14 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
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- 10 11 1 0 0 0 0
- 10 17 2 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- M END
- $$$$
- dan165.sdf
- MOE2004 3D
- 19 18 0 0 0 0 0 0 0 0999 V2000
- -3.0810 -0.5460 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.1560 -0.5840 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9200 -0.0270 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7030 -1.5680 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3890 0.2050 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0180 0.6670 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8970 0.3890 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6760 0.7310 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6160 1.1720 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1190 -0.8660 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6590 -1.9330 0.7330 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2460 -0.7690 0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9170 0.4680 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6610 1.2180 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6280 0.8240 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4100 0.2110 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7170 -0.1660 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6860 -0.5530 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9700 1.1260 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 13 15 1 0 0 0 0
- 13 16 1 0 0 0 0
- 16 17 1 0 0 0 0
- 16 18 1 0 0 0 0
- 16 19 1 0 0 0 0
- M END
- $$$$
- dan166.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- -3.1160 -0.8910 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9250 -0.2540 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4830 -1.4650 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8620 -1.5840 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9120 -0.0550 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1090 -0.7120 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1930 0.6470 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4830 0.6740 0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3840 1.4790 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 2.1580 1.5790 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3830 1.4790 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0010 2.1590 -1.5780 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4810 0.6740 -0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9120 -0.0540 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1090 -0.7120 0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1930 0.6480 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1170 -0.8900 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8630 -1.5840 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9260 -0.2530 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4850 -1.4630 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 17 20 1 0 0 0 0
- M END
- $$$$
- dan167.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- -1.6290 -0.0500 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6530 -0.0510 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6700 -0.0560 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9350 1.2180 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4260 2.0970 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0450 1.2950 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5460 1.2260 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6640 1.3120 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0300 2.1150 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2560 -0.0340 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2840 -0.0390 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5610 -1.3000 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0560 -2.1840 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6780 -1.3850 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9210 -1.3100 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0280 -1.3870 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4010 -2.1950 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6030 -0.0410 -0.1530 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0300 0.7690 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan168.sdf
- MOE2004 3D
- 19 18 0 0 0 0 0 0 0 0999 V2000
- 2.0720 0.8030 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1210 0.4920 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9060 1.3930 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8900 1.4090 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1860 -0.4210 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6980 -1.5380 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3440 -0.2240 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7690 0.5280 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3910 0.0290 -2.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8590 0.5880 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3860 1.5540 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0390 -1.5980 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7570 -2.1990 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7660 -2.1720 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1300 -1.4960 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7740 0.5600 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4020 0.0820 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3900 1.5850 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8650 0.6240 1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 16 19 1 0 0 0 0
- M END
- $$$$
- dan169.sdf
- MOE2004 3D
- 19 18 0 0 0 0 0 0 0 0999 V2000
- -1.7610 0.9730 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1920 1.6240 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5730 0.5190 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2100 1.6070 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8600 -0.1000 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4730 -0.7170 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6370 -0.9810 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0020 -1.7720 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0200 -0.3990 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4870 -1.4590 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3280 0.5290 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2630 1.6400 1.0620 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6120 -0.2720 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3760 -1.3360 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1620 0.0170 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4550 -0.0180 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9320 -0.3310 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6890 1.0460 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3960 -0.5720 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 16 19 1 0 0 0 0
- M END
- $$$$
- dan170.sdf
- MOE2004 3D
- 19 18 0 0 0 0 0 0 0 0999 V2000
- -2.1970 0.7230 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8070 0.0210 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8740 1.3810 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6310 1.3440 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2790 -0.0140 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6690 0.7100 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8970 -0.5230 1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3870 -1.0580 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2030 -1.5660 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0260 -1.8310 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5510 -0.5300 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1350 -1.3750 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0460 -0.1670 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5080 0.5810 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0480 0.9540 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9790 1.4320 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5270 0.0890 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1310 -0.2440 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7310 0.0710 0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 17 19 2 0 0 0 0
- M END
- $$$$
- dan171.sdf
- MOE2004 3D
- 19 18 0 0 0 0 0 0 0 0999 V2000
- -2.2990 0.7540 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1720 0.4250 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4910 0.9970 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5800 1.6400 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8620 -0.3450 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2770 -1.4930 0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8800 0.0140 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3140 0.8350 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7910 -0.8390 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4950 0.4160 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4020 1.2560 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1000 0.7730 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2220 -0.7430 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3210 -1.5850 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6440 -1.1000 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6050 -0.3280 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2280 0.0030 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5410 0.4900 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1080 -1.1700 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 16 19 1 0 0 0 0
- M END
- $$$$
- dan172.sdf
- MOE2004 3D
- 19 18 0 0 0 0 0 0 0 0999 V2000
- -2.3550 -0.7840 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8910 -0.2330 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7460 -1.5500 -0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0920 -1.2940 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5020 0.1490 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1570 0.8190 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9100 -0.4100 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5770 1.0060 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6440 2.2310 -0.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4400 0.3250 -1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9620 1.0990 -1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0990 -0.2870 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4550 -0.5270 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0880 -1.0480 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9490 -1.3020 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3460 0.2970 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0930 -0.3440 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8750 1.0740 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7650 0.7790 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 16 19 1 0 0 0 0
- M END
- $$$$
- dan173.sdf
- MOE2004 3D
- 19 18 0 0 0 0 0 0 0 0999 V2000
- -2.2920 0.8730 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3480 0.6450 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7510 0.8040 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2230 1.8880 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7230 -0.1090 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3350 -1.1250 -0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3550 0.1950 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3750 1.2270 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2040 -0.4420 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7810 -0.0020 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5610 0.5700 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9350 -1.4730 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0300 -1.8510 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1360 -2.1020 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7630 -1.6030 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0960 0.5230 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0160 1.5860 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9120 0.4120 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3770 -0.0160 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 16 17 1 0 0 0 0
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- 16 19 1 0 0 0 0
- M END
- $$$$
- dan174.sdf
- MOE2004 3D
- 19 18 0 0 1 0 0 0 0 0999 V2000
- -2.1760 0.6880 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9290 1.3440 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6490 -0.2610 0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7750 1.1700 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0620 0.4500 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0790 0.9740 -1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0550 -0.4910 0.1090 C 0 0 3 0 0 0 0 0 0 0 0 0
- -0.2840 -1.9010 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2510 -2.2300 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3450 -1.9480 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4730 -2.6200 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4240 -0.0450 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3980 0.0460 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1740 -0.8100 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8880 1.2760 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2140 2.0960 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9460 1.2160 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8840 1.5310 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0940 -0.4880 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- M END
- $$$$
- dan175.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- -3.1730 0.7120 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7470 1.0490 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.2400 0.5310 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0810 1.4770 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5240 -0.5740 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1600 -1.6140 0.2090 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1840 -0.5280 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4240 0.6830 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8190 1.4440 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4910 1.0430 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0330 0.4030 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0830 0.0090 1.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5930 1.3440 0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6830 -0.6040 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6220 -0.2350 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1460 -1.5580 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1410 -0.8470 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7200 0.0800 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2360 -1.2480 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5860 -1.5680 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan176.sdf
- MOE2004 3D
- 20 19 0 0 1 0 0 0 0 0999 V2000
- 2.8200 -0.6030 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6950 -0.8340 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0570 -1.5320 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6360 0.1160 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5640 -0.0170 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4470 0.3030 -1.3690 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6060 0.0950 0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6970 0.6260 0.4460 C 0 0 3 0 0 0 0 0 0 0 0 0
- -0.6190 2.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0130 2.6700 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1570 2.1910 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6170 2.5310 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4770 -0.2560 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9950 -0.2600 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4800 0.1600 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6030 -1.6960 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6250 -2.1780 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0930 -1.7430 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2030 -2.2780 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2470 0.6190 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 16 18 1 0 0 0 0
- 16 19 1 0 0 0 0
- M END
- $$$$
- dan177.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 2.8830 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8420 1.4600 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8040 0.2130 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8940 1.3830 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7020 -0.1240 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7900 -1.3430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5490 0.6110 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7470 -0.0390 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9490 -0.8700 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7160 -0.2770 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2930 -1.7450 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9790 -1.2320 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9520 -0.8830 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7210 -0.3010 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9830 -1.2460 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2980 -1.7590 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7660 1.1080 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6280 1.7590 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7970 0.7410 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6340 1.7450 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 17 20 1 0 0 0 0
- M END
- $$$$
- dan178.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- -2.8540 -0.0160 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3940 -0.3150 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6550 -0.9120 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5110 0.6340 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5660 0.7170 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8250 1.6390 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0640 1.0120 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6340 -0.1130 -0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1870 -0.5320 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1400 0.5090 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0050 -1.2690 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5020 -2.3880 -0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1140 -1.0230 0.7050 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8630 0.2050 0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3460 0.3050 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2210 1.0810 0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9250 0.1360 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5320 1.0460 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5820 -0.7240 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4740 0.0070 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 17 20 1 0 0 0 0
- M END
- $$$$
- dan179.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 2.5360 0.2390 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5120 0.4130 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7010 -0.8290 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3950 0.7780 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2500 0.7190 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1810 1.8050 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3180 0.5420 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0050 0.0460 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0040 0.1670 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2820 0.7080 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3680 0.5430 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2240 1.7930 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5470 0.2020 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7020 -0.8660 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5040 0.3640 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4220 0.7350 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0020 -1.4370 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0660 -1.8700 -1.4070 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0860 -2.2540 0.8140 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1370 -1.7970 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 19 20 1 0 0 0 0
- M END
- $$$$
- dan180.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 3.2160 -0.1530 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5370 -1.0340 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8130 0.7060 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4260 -0.3580 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7370 0.1080 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4370 0.9800 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5480 0.2860 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0130 -1.0560 0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3530 -1.1350 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9100 -2.1840 0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1380 0.1290 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5680 0.7590 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4270 -0.2420 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2080 -0.8300 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0960 -0.8390 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9710 0.6560 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4520 0.9020 1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5380 1.1720 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9960 1.8250 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0660 0.3070 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 17 20 1 0 0 0 0
- M END
- $$$$
- dan181.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 3.0060 0.3590 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4710 -0.1350 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1300 -0.2870 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5470 1.2910 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5360 0.6460 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4500 1.3170 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1230 1.1740 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7530 -0.6420 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8040 -1.2920 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2300 -1.1910 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7110 -0.3990 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1580 -1.3600 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7670 0.2340 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5300 0.2290 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1920 1.2480 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4320 -0.3340 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9900 0.3040 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5340 1.3070 0.3620 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6460 -0.8710 -0.2470 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0890 -1.5960 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 19 20 1 0 0 0 0
- M END
- $$$$
- dan182.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- -2.7800 -1.0440 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4420 -1.7900 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8630 -1.1580 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3290 -1.2050 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4860 0.3480 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3760 1.1630 0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1720 0.6640 0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1160 -0.2810 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1460 -0.6010 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2570 -1.1520 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2330 0.3790 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2080 0.7510 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3670 -0.6370 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2120 -1.4800 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4380 -1.0340 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3300 -0.1800 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4920 1.5810 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7220 2.3480 -0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4570 2.0440 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5070 1.2850 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 17 20 1 0 0 0 0
- M END
- $$$$
- dan183.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- -2.8910 0.4720 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8350 0.8180 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6060 1.2980 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9350 0.2240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0080 -0.7480 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4150 -1.5800 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0590 -1.0500 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5490 -0.5330 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5060 -0.2370 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0310 -1.4950 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1790 0.5080 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1100 0.2130 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3020 1.4860 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6490 0.6490 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1040 1.4510 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7390 0.8960 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3320 -0.5830 -0.3680 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6540 -0.5770 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0840 -1.5600 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2860 0.3480 0.4470 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 18 19 1 0 0 0 0
- 18 20 2 0 0 0 0
- M END
- $$$$
- dan184.sdf
- MOE2004 3D
- 20 19 0 0 0 0 0 0 0 0999 V2000
- 2.8900 0.0500 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4080 -0.1830 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5810 -0.1420 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6490 1.1180 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6350 -0.7910 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1580 -0.5700 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9040 -1.8530 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6530 -0.5590 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1110 -0.8630 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3880 0.4950 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5090 -1.3900 0.5890 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6280 -1.0200 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5490 -1.8120 -0.2690 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7160 0.3990 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3390 0.3780 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7460 0.7710 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3480 1.3160 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4330 2.3330 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3510 0.9700 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7570 1.3530 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 17 20 1 0 0 0 0
- M END
- $$$$
- dan185.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- -3.2620 0.1030 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7310 -0.0800 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9240 0.7370 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1740 -0.8670 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9040 0.7600 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4170 0.9300 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0430 1.7380 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0770 -0.0140 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3620 -1.0760 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9990 -1.5870 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1130 -1.8080 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9260 -0.5800 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6870 0.1240 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4370 -1.4320 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8620 0.1080 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0960 -0.5750 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3720 0.9840 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1570 0.5480 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8090 1.0390 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6980 -0.3090 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9620 1.2550 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 18 21 1 0 0 0 0
- M END
- $$$$
- dan186.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 2.9020 -0.3810 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9830 -1.0270 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7430 0.3180 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan187.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- -1.7410 -1.2310 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan188.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- -2.0340 -1.3920 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan189.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- -2.3480 -1.0460 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan190.sdf
- MOE2004 3D
- 21 20 0 0 1 0 0 0 0 0999 V2000
- -2.3110 1.0760 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3670 1.0760 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan191.sdf
- MOE2004 3D
- 21 20 0 0 1 0 0 0 0 0999 V2000
- -1.5420 0.9630 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.2280 1.5790 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 3.0630 0.1950 -1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan192.sdf
- MOE2004 3D
- 21 20 0 0 1 0 0 0 0 0999 V2000
- -2.6900 -0.6220 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8680 -1.3470 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan193.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- -3.0990 -0.3380 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1100 -0.5080 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.1190 -0.0940 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -0.7490 0.4780 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0050 -0.5880 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.4360 -0.7160 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.1820 0.4310 -0.3310 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5390 0.3630 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan194.sdf
- MOE2004 3D
- 22 21 0 0 0 0 0 0 0 0999 V2000
- -3.6330 0.7020 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4760 1.0450 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 0.7000 0.7900 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0640 1.5270 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8030 1.2500 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan195.sdf
- MOE2004 3D
- 22 21 0 0 1 0 0 0 0 0999 V2000
- 1.4750 -0.8110 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.3160 0.8420 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1510 1.3120 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4450 1.6320 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2570 0.2880 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0730 -1.0840 -1.1490 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2830 -1.6230 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3290 -1.4450 -0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1970 -1.8520 -0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4940 0.0120 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
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- 5 14 1 0 0 0 0
- 5 18 1 0 0 0 0
- 6 7 1 0 0 0 0
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- 9 10 1 0 0 0 0
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- 9 22 1 0 0 0 0
- 10 11 1 0 0 0 0
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- 10 13 1 0 0 0 0
- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- 18 19 1 0 0 0 0
- 20 21 1 0 0 0 0
- M END
- $$$$
- dan196.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- -2.9590 0.1150 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5390 0.8330 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6530 -0.6360 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5250 0.6380 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8920 -0.5560 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3220 -1.2630 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3960 -1.1600 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9560 0.4220 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2610 -0.1250 -1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5470 1.0590 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 1.5420 0.0520 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9530 0.3460 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2550 -0.2460 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5420 0.9340 1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8910 -0.5780 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3230 -1.2360 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3900 -1.2370 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9630 0.1520 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5340 0.7340 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5370 0.8290 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6610 -0.5680 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 1 4 1 0 0 0 0
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- 15 18 1 0 0 0 0
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- 18 20 1 0 0 0 0
- 18 21 1 0 0 0 0
- M END
- $$$$
- dan197.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- 3.2260 0.3360 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4150 0.9470 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9640 -0.4720 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4010 0.9500 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8220 -0.2470 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6880 -0.8680 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7010 -0.8670 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5980 1.1080 0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0110 0.1810 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1220 1.2430 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0660 1.8520 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0800 1.9170 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1130 0.7740 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1320 -0.7280 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9810 -0.1730 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1290 -1.1800 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4170 -1.5570 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1540 -0.6400 -1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0330 -0.0180 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4290 -1.4580 -1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1470 -1.0990 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 9 18 1 0 0 0 0
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- 18 19 1 0 0 0 0
- 18 20 1 0 0 0 0
- 18 21 1 0 0 0 0
- M END
- $$$$
- dan198.sdf
- MOE2004 3D
- 21 20 0 0 0 0 0 0 0 0999 V2000
- -2.6090 -0.3620 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1280 0.2910 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3560 -0.7830 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1650 -1.1920 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5600 0.4090 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0450 -0.2710 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0700 1.1480 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5490 1.1450 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1220 1.7260 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0850 1.8810 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2830 0.2590 1.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9570 0.9030 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3790 -0.2000 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0910 -0.8550 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6380 -1.4090 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3980 -1.5800 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0710 -0.4080 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5480 -1.2900 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5490 0.1090 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3910 0.6750 -0.1200 S 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9020 -0.1960 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 14 17 1 0 0 0 0
- 17 18 1 0 0 0 0
- 17 19 1 0 0 0 0
- 17 20 1 0 0 0 0
- 20 21 1 0 0 0 0
- M END
- $$$$
- dan199.sdf
- MOE2004 3D
- 22 21 0 0 0 0 0 0 0 0999 V2000
- -3.6700 0.8210 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.1560 0.7660 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1020 1.7550 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.4540 0.8700 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7840 -0.3940 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4260 -1.2800 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3140 -0.3150 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7340 -0.6240 0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2350 -0.7420 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1990 -1.5610 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5050 0.7170 0.8880 S 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5090 0.6900 -0.9080 S 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7350 -0.6470 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2340 -0.7950 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2010 -1.5780 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7890 -0.3850 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4390 -1.2660 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3230 -0.2890 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6640 0.8310 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4650 0.8910 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1280 0.7700 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0930 1.7630 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 13 16 1 0 0 0 0
- 16 17 1 0 0 0 0
- 16 18 1 0 0 0 0
- 16 19 1 0 0 0 0
- 19 20 1 0 0 0 0
- 19 21 1 0 0 0 0
- 19 22 1 0 0 0 0
- M END
- $$$$
- dan200.sdf
- MOE2004 3D
- 15 15 0 0 0 0 0 0 0 0999 V2000
- 0.0680 -1.2260 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4050 -2.2040 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4650 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0220 -2.1350 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1460 0.0090 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2320 0.0240 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4330 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9620 2.1490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0380 1.1800 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4830 2.1360 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6900 -0.0340 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2190 -0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9840 -1.6100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7920 0.8590 1.4600 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7940 0.8590 -1.4590 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 11 2 0 0 0 0
- 3 4 1 0 0 0 0
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- 12 15 1 0 0 0 0
- M END
- $$$$
- dan201.sdf
- MOE2004 3D
- 15 15 0 0 0 0 0 0 0 0999 V2000
- -0.6810 0.1380 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1580 -1.1690 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8230 -2.0300 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2200 -1.3880 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6080 -2.4020 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0980 -0.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1710 -0.4790 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6000 0.9920 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2860 1.8340 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2220 1.2150 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1380 2.2410 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1680 0.4010 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3740 1.4760 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9300 -0.2630 1.4620 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9330 -0.2570 -1.4610 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 10 1 0 0 0 0
- 1 12 1 0 0 0 0
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- 4 5 1 0 0 0 0
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- 10 11 1 0 0 0 0
- 12 13 1 0 0 0 0
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- 12 15 1 0 0 0 0
- M END
- $$$$
- dan202.sdf
- MOE2004 3D
- 15 15 0 0 0 0 0 0 0 0999 V2000
- -0.0310 1.2920 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5690 2.2210 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3630 1.2870 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9070 2.2080 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0610 0.1020 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1470 0.1010 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3670 -1.0800 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9160 -1.9970 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0280 -1.0820 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5510 -2.0040 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7230 0.1040 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1790 0.1400 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8150 1.0290 0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7430 -0.8820 -0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1230 -1.4400 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 3 4 1 0 0 0 0
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- 11 12 1 0 0 0 0
- 12 13 2 0 0 0 0
- 12 14 1 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan203.sdf
- MOE2004 3D
- 15 15 0 0 0 0 0 0 0 0999 V2000
- -1.0810 -1.0430 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7190 -1.9220 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3060 -1.2020 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7240 -2.2050 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1310 -0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5840 1.2100 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2260 2.0870 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8020 1.3690 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2400 2.3620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6220 0.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9800 0.4470 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4240 -0.4170 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5840 -0.2550 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9560 -1.2940 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3580 0.6940 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
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- 10 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- 13 15 2 0 0 0 0
- M END
- $$$$
- dan204.sdf
- MOE2004 3D
- 15 15 0 0 0 0 0 0 0 0999 V2000
- 0.7740 -0.4320 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2380 -1.4020 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0020 -2.4630 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5790 -1.0160 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3620 -1.7690 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9160 0.3360 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9610 0.6340 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9150 1.3070 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2010 2.3550 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4300 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1580 -0.9200 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2760 -2.0170 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1530 -0.2070 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4000 1.8980 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9820 2.7740 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 10 2 0 0 0 0
- 1 11 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 2 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 1 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 2 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 10 14 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 2 0 0 0 0
- 14 15 1 0 0 0 0
- M END
- $$$$
- dan205.sdf
- MOE2004 3D
- 15 15 0 0 0 0 0 0 0 0999 V2000
- -0.0170 -1.2080 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4990 -2.1590 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3780 -1.2060 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9070 -2.1460 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0580 0.0000 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1180 0.0010 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3770 1.2060 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9070 2.1470 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0160 1.2080 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5000 2.1580 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6790 0.0000 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1470 0.0000 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4240 -0.8830 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4240 0.8820 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1060 0.0010 0.9660 Cl 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 11 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
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- 11 12 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- M END
- $$$$
- dan206.sdf
- MOE2004 3D
- 16 16 0 0 0 0 0 0 0 0999 V2000
- 0.5550 -0.0030 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1470 -1.2090 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3730 -2.1600 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5200 -1.2040 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0560 -2.1420 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2030 0.0050 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2720 0.0070 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5140 1.2090 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0470 2.1510 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1420 1.2070 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3830 2.1550 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0420 -0.0060 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3470 0.8680 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3460 -0.8930 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7530 0.0070 -0.7370 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1020 0.0060 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 2 0 0 0 0
- 1 10 1 0 0 0 0
- 1 12 1 0 0 0 0
- 2 3 1 0 0 0 0
- 2 4 1 0 0 0 0
- 4 5 1 0 0 0 0
- 4 6 2 0 0 0 0
- 6 7 1 0 0 0 0
- 6 8 1 0 0 0 0
- 8 9 1 0 0 0 0
- 8 10 2 0 0 0 0
- 10 11 1 0 0 0 0
- 12 13 1 0 0 0 0
- 12 14 1 0 0 0 0
- 12 15 1 0 0 0 0
- 15 16 1 0 0 0 0
- M END
- $$$$
- dan207.sdf
- MOE2004 3D
- 16 16 0 0 0 0 0 0 0 0999 V2000
- 1.5990 1.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5490 1.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4120 1.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4440 2.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8180 1.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7350 1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8780 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3170 -1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3050 -2.1160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5390 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2090 -0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0950 -2.0830 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7820 -0.7140 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7780 -0.7220 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6820 -1.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4490 -0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
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- 7 8 2 0 0 0 0
- 7 11 1 0 0 0 0
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- 10 15 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 15 16 1 0 0 0 0
- M END
- $$$$
- dan208.sdf
- MOE2004 3D
- 16 16 0 0 0 0 0 0 0 0999 V2000
- 0.8400 1.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9510 2.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9820 0.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9660 1.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8620 -0.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7520 -1.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5990 -1.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5240 -2.3510 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5630 -0.4800 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4220 0.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5530 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2840 2.6340 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9040 -1.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7360 -0.4510 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0100 -1.7810 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0030 -1.7950 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
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- 7 8 1 0 0 0 0
- 7 9 2 0 0 0 0
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- 9 13 1 0 0 0 0
- 10 11 1 0 0 0 0
- 11 12 1 0 0 0 0
- 13 14 1 0 0 0 0
- 13 15 1 0 0 0 0
- 13 16 1 0 0 0 0
- M END
- $$$$
- dan209.sdf
- MOE2004 3D
- 16 16 0 0 0 0 0 0 0 0999 V2000
- -1.1210 1.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6410 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2740 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8180 2.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9720 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2500 -1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7690 -2.2240 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1450 -1.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7030 -2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8190 -0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4740 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8770 -1.0850 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8520 0.4320 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8530 0.4530 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1920 -0.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5190 0.8460 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
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- 8 9 1 0 0 0 0
- 8 10 1 0 0 0 0
- 10 15 1 0 0 0 0
- 11 12 1 0 0 0 0
- 11 13 1 0 0 0 0
- 11 14 1 0 0 0 0
- 15 16 1 0 0 0 0
- M END
- $$$$
- dan210.sdf
- MOE2004 3D
- 23 22 0 0 0 0 0 0 0 0999 V2000
- -3.9980 1.3220 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8560 1.6010 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -5.0700 1.2840 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5470 2.1150 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3400 -0.0120 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4770 -0.2690 1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7890 -0.7910 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9430 0.1020 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2200 -1.0330 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6750 -2.1000 0.5360 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2310 -0.7990 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2980 -0.2290 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6930 -1.7800 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9350 -0.0750 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3730 0.2580 2.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2630 0.2010 0.7760 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9600 -0.1820 -0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5130 0.3180 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9150 -1.2680 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4070 0.2490 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9830 -0.0180 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4750 1.3310 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8680 -0.2250 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 5 1 0 0 0 0
- 5 6 1 0 0 0 0
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- 11 14 1 0 0 0 0
- 14 15 2 0 0 0 0
- 14 16 1 0 0 0 0
- 16 17 1 0 0 0 0
- 17 18 1 0 0 0 0
- 17 19 1 0 0 0 0
- 17 20 1 0 0 0 0
- 20 21 1 0 0 0 0
- 20 22 1 0 0 0 0
- 20 23 1 0 0 0 0
- M END
- $$$$
- dan211.sdf
- MOE2004 3D
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 1.8340 1.2630 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5050 2.1770 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9200 1.3180 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3830 1.2570 -1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4480 0.0270 0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9980 0.0640 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8340 -1.2670 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9190 -1.3260 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5160 -2.1400 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3730 -1.3430 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0350 0.0390 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3860 0.0770 2.0910 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0660 0.0000 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5520 -0.0070 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9460 1.2450 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6660 1.2580 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5070 1.2950 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3390 2.1550 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8980 -1.2750 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6180 -1.3430 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2590 -2.1630 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4570 -1.3120 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 13 15 1 0 0 0 0
- 13 19 1 0 0 0 0
- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- 19 20 1 0 0 0 0
- 19 21 1 0 0 0 0
- 19 22 1 0 0 0 0
- M END
- $$$$
- dan212.sdf
- MOE2004 3D
- 22 21 0 0 0 0 0 0 0 0999 V2000
- -2.7400 -0.5030 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2920 0.1050 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2810 -1.3410 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4600 -0.9190 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6990 0.3290 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2200 1.0790 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1520 -0.3070 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7270 1.0550 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2950 1.7480 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0630 1.6830 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1150 0.1540 -1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5440 -0.3480 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7690 0.7910 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9600 -0.9140 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2960 -1.6400 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5120 -1.4720 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9470 -0.3860 0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4550 0.2260 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4100 -1.2330 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0470 0.4260 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7350 1.3650 -0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2270 0.1010 0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 17 18 1 0 0 0 0
- 17 19 1 0 0 0 0
- 17 20 1 0 0 0 0
- 20 21 1 0 0 0 0
- 20 22 2 0 0 0 0
- M END
- $$$$
- dan213.sdf
- MOE2004 3D
- 22 21 0 0 0 0 0 0 0 0999 V2000
- -3.1400 1.1450 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.2330 1.1560 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7850 1.4280 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7850 1.8610 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6470 -0.2360 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1680 -0.4000 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8710 0.3510 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0170 -1.3830 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3500 -0.2830 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7970 -0.9200 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4050 0.7420 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1160 -0.6860 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1730 -1.7230 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5970 -0.6620 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8870 0.2250 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7890 1.2690 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4710 0.1550 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3610 -0.1430 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8910 0.5160 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8290 -0.0430 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4970 -1.1740 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4130 -1.1950 -0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
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- 1 5 1 0 0 0 0
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- 15 16 1 0 0 0 0
- 15 17 1 0 0 0 0
- 15 18 1 0 0 0 0
- 18 19 1 0 0 0 0
- 18 20 1 0 0 0 0
- 18 21 1 0 0 0 0
- M END
- $$$$
- dan214.sdf
- MOE2004 3D
- 22 21 0 0 0 0 0 0 0 0999 V2000
- -2.9620 -0.1520 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4510 -0.8790 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4900 -0.6960 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7380 0.4920 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9490 0.6840 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4800 1.2590 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4920 1.4120 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8790 -0.1670 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3530 -0.8900 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2380 0.4610 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0010 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8750 -0.1560 0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3470 -0.8720 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2310 0.4760 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9470 0.6880 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4720 1.2740 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4920 1.4080 -0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9660 -0.1540 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7440 0.4860 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4500 -0.8750 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5000 -0.7060 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0050 -2.1610 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 18 19 1 0 0 0 0
- 18 20 1 0 0 0 0
- 18 21 1 0 0 0 0
- M END
- $$$$
- dan215.sdf
- MOE2004 3D
- 22 22 0 0 0 0 0 0 0 0999 V2000
- -1.0570 0.0300 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2630 1.2970 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8050 2.1920 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2020 1.3870 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1500 1.3050 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1080 1.3980 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6900 2.1860 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9210 0.0440 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8990 0.0470 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1110 0.0460 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1610 -1.2260 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7090 -2.1010 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1180 -1.3210 1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2520 -1.2300 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1910 -1.3150 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7850 -2.1300 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4790 0.0300 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1070 0.9000 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0880 -0.8510 1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6280 0.0400 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2550 0.0410 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7530 -0.7700 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 1 17 1 0 0 0 0
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- 17 18 1 0 0 0 0
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- 17 20 1 0 0 0 0
- 21 22 1 0 0 0 0
- M END
- $$$$
- dan216.sdf
- MOE2004 3D
- 22 21 0 0 0 0 0 0 0 0999 V2000
- 2.9390 -0.4130 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0120 -0.2310 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7680 -1.4930 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4080 0.0820 -1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4680 0.1310 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0720 -0.2450 0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9720 0.0390 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9800 -1.3350 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0060 0.4530 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2600 1.5170 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0320 0.0570 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4160 0.3160 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4220 0.7160 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3980 1.1450 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1070 2.2000 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4390 0.7960 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4090 1.0860 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8830 -1.1400 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2660 -1.7310 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9150 -1.2040 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8430 -1.6100 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1820 0.8640 0.9650 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
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- 5 6 1 0 0 0 0
- 5 22 2 0 0 0 0
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- 14 15 1 0 0 0 0
- 14 16 1 0 0 0 0
- 14 17 1 0 0 0 0
- 18 19 1 0 0 0 0
- 18 20 1 0 0 0 0
- 18 21 1 0 0 0 0
- M END
- $$$$
- dan217.sdf
- MOE2004 3D
- 23 22 0 0 0 0 0 0 0 0999 V2000
- 3.5200 0.5370 0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2170 -0.2600 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4620 1.2480 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9350 1.0610 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1480 -0.0280 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2380 -0.7140 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4930 0.7910 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5390 -0.7610 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4320 -0.0540 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2160 -1.5560 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1770 -1.3680 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1860 -1.9190 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2580 -2.0560 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7450 -0.3160 0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0230 -0.7320 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4070 -1.8940 0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9090 0.4410 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5470 0.8960 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9160 0.0590 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9650 1.4600 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9850 1.9190 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2800 0.9920 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6730 2.2570 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 17 19 1 0 0 0 0
- 17 20 1 0 0 0 0
- 20 21 1 0 0 0 0
- 20 22 1 0 0 0 0
- 20 23 1 0 0 0 0
- M END
- $$$$
- dan218.sdf
- MOE2004 3D
- 23 22 0 0 0 0 0 0 0 0999 V2000
- -1.2220 1.3290 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7120 0.8380 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0390 1.9270 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5180 2.0210 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7550 0.3170 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2500 0.8870 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8240 -0.5700 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6790 0.0320 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4440 -1.0990 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1950 -1.3140 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6320 -0.4960 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0110 0.1680 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0620 -1.1750 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1680 -1.3660 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2950 -2.4050 -0.4270 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4110 -0.9410 -0.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1220 0.1030 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1990 -0.1360 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6070 1.0580 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5120 0.1930 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0990 0.9750 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0390 -0.7610 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4570 0.4130 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 17 20 1 0 0 0 0
- 20 21 1 0 0 0 0
- 20 22 1 0 0 0 0
- 20 23 1 0 0 0 0
- M END
- $$$$
- dan219.sdf
- MOE2004 3D
- 23 22 0 0 0 0 0 0 0 0999 V2000
- 3.5340 0.1070 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8790 -0.9310 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2630 0.6840 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5220 0.5020 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1580 0.2030 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8720 1.2580 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2140 -0.1690 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1160 -0.5940 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4660 -1.6270 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0230 -0.1830 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2630 -0.6290 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1740 -1.0570 -1.0630 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8970 -1.3140 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9390 0.7440 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9810 1.1940 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3380 1.4120 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3410 0.6720 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7060 1.6810 -0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3370 0.1360 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3330 0.0540 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7520 0.6140 1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7020 -1.2060 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2840 -1.5510 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 20 21 2 0 0 0 0
- 20 22 1 0 0 0 0
- 22 23 1 0 0 0 0
- M END
- $$$$
- dan220.sdf
- MOE2004 3D
- 23 22 0 0 0 0 0 0 0 0999 V2000
- -3.7260 0.1130 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.0870 -0.7020 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.3520 0.9910 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8630 -0.1800 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2680 0.4310 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9630 1.2760 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1730 0.7480 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3680 -0.7790 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7450 -1.6340 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4260 -1.0620 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0940 -0.5490 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1490 -0.2580 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6210 -1.5060 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8030 0.5000 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7380 0.1970 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3050 1.4700 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2700 0.6710 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7100 1.4750 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3550 0.9320 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9750 -0.5500 -0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2960 -0.5160 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7450 -1.4940 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9090 0.4260 0.4530 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 21 22 1 0 0 0 0
- 21 23 2 0 0 0 0
- M END
- $$$$
- dan221.sdf
- MOE2004 3D
- 23 22 0 0 0 0 0 0 0 0999 V2000
- -3.3700 0.4700 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9130 0.3630 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4060 -0.4880 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8980 1.2080 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9360 0.9180 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9550 1.9090 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4330 1.0270 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1630 -0.0370 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7490 -0.2610 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2480 0.4270 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8450 -1.3540 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5680 -2.3330 -0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2510 -1.4130 0.6970 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2500 -0.3810 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6870 -0.4590 1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8160 0.6190 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3310 -0.6110 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8880 -0.6300 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7770 -1.6020 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4120 0.4540 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9940 1.4490 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9010 0.4620 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1770 0.2630 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 20 23 1 0 0 0 0
- M END
- $$$$
- dan222.sdf
- MOE2004 3D
- 24 23 0 0 0 0 0 0 0 0999 V2000
- -3.1790 -0.3460 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8770 0.2810 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.2690 -0.4430 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7560 -1.3440 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7380 0.2670 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0280 -0.3960 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2830 1.2060 -0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2370 0.5580 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0330 1.0920 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9680 1.2380 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3720 -0.7050 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4690 -1.1850 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7410 -1.4240 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1110 -0.4450 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6130 -1.4150 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2170 0.0340 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7970 0.4110 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3110 1.3890 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6860 -0.0810 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2800 0.6340 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4420 1.0610 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6960 1.3300 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0120 -0.5810 0.2500 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7820 -1.1340 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 20 23 1 0 0 0 0
- 23 24 1 0 0 0 0
- M END
- $$$$
- dan223.sdf
- MOE2004 3D
- 24 23 0 0 1 0 0 0 0 0999 V2000
- -2.9200 1.1060 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9770 1.1130 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7320 1.9690 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3550 1.2240 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5740 -0.2020 0.3240 C 0 0 3 0 0 0 0 0 0 0 0 0
- -1.1450 -0.2370 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0030 -1.1910 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0290 0.5560 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0460 -0.1050 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1430 0.8530 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1580 -0.8940 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3480 -0.1940 0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4600 -1.1560 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4600 0.5880 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4440 -0.0430 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3400 0.9200 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3410 -0.8250 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8310 -0.1300 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9800 0.6590 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9830 -1.0960 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5980 -0.0170 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7550 -1.2870 -0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6750 -1.2600 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2720 -0.3520 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 18 21 1 0 0 0 0
- 22 23 1 0 0 0 0
- M END
- $$$$
- dan224.sdf
- MOE2004 3D
- 24 23 0 0 0 0 0 0 0 0999 V2000
- 2.7740 0.5250 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6900 1.3730 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4470 0.8530 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9640 -0.6660 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0580 -1.4990 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4120 -1.0270 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4870 -0.3490 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0340 -1.2250 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4140 0.4730 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2800 -0.0020 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1200 -0.7970 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1420 0.9090 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7970 0.2110 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1950 0.4770 1.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5180 -1.0610 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6040 -0.9170 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2510 -1.3460 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2800 -1.9000 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1190 1.3700 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1930 1.5830 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5990 2.2820 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8340 1.1460 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1490 0.1680 0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2190 -0.5790 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 4 1 0 0 0 0
- 1 23 1 0 0 0 0
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- 23 24 1 0 0 0 0
- M END
- $$$$
- dan225.sdf
- MOE2004 3D
- 24 23 0 0 0 0 0 0 0 0999 V2000
- -3.0640 -0.4830 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5200 -0.8770 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5620 -1.3050 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8670 -0.1250 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -0.4190 1.1630 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0920 -0.8770 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 0.6220 -1.0580 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6720 -0.6700 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.2820 -1.5600 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5580 0.5840 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9190 1.4730 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0470 0.6130 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6180 0.7180 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1580 0.7470 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1540 1.6640 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8510 -0.6180 -0.3150 S 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3020 -0.3870 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 20 21 1 0 0 0 0
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- 20 23 1 0 0 0 0
- 23 24 1 0 0 0 0
- M END
- $$$$
- dan226.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 1.7290 1.1380 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6100 1.7760 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4590 1.7130 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3770 2.7960 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6800 0.8970 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 0.7320 -1.0680 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8310 -2.1510 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8600 -0.2480 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1880 -0.8650 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2250 -1.9670 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2130 -0.1950 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5550 -1.4650 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9060 -1.0170 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0710 -0.4580 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2000 -0.4450 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5440 -1.9040 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9160 1.5030 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8010 2.4680 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan227.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- -0.1610 0.9530 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4860 1.8260 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5420 1.1590 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9280 2.1730 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3980 0.0600 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8950 -1.2330 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5720 -2.0810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5140 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1320 -2.4520 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3760 -0.3460 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.8620 -0.6410 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0880 -1.2250 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0900 -1.2750 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8040 0.5560 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6650 1.2010 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6520 1.1590 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8450 0.2160 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7620 0.2160 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9630 1.1670 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan228.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- -0.2590 0.5840 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5030 -0.0700 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5980 -1.4630 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5610 -1.9640 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4370 -2.2280 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5000 -3.3120 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8080 -1.6040 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7020 -2.2230 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9160 -0.2030 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1910 2.0910 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0930 2.5470 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6420 2.4580 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0670 2.4480 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2860 0.4210 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3600 1.1830 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5000 0.8770 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0660 -0.3210 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6530 0.6880 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4200 0.0910 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan229.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- -0.3680 1.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6400 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9820 1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7350 2.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3670 0.0900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3780 -0.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6700 -1.9510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9850 -0.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3410 0.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8250 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9720 -1.3560 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3130 0.1270 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3170 0.1380 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0050 -1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0330 -1.3020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8840 -2.2990 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8810 -2.3010 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6740 1.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7480 2.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan230.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 0.5310 -1.1760 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8820 -2.2030 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4620 -0.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9990 1.1910 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7040 2.0180 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3700 1.4650 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7030 2.5000 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3100 0.4250 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8380 -0.8940 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9380 -0.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1480 -1.4800 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3990 0.0050 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4080 0.0460 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7740 0.7630 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4120 -0.1250 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0260 1.3330 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0230 1.3620 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7490 -1.9260 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2660 -2.7690 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan231.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- 1.2090 -1.3650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1570 -1.8980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1830 0.0370 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0710 0.6790 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2700 -0.0520 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2050 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1160 -2.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0260 -2.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0640 -3.1870 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4810 0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5520 1.4290 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3450 0.1230 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5570 1.4190 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6020 0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7020 1.2770 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7080 1.2630 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4310 -0.0710 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1780 2.0550 -0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7090 2.4470 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan232.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- -0.2550 -0.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1150 -1.0660 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4560 -2.0980 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0580 -0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6690 1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4000 2.0920 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3110 1.6020 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0130 2.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6630 0.5890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2580 -1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9040 -1.8240 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7670 -2.8670 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8710 -1.8510 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1200 0.9680 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6290 0.5430 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2560 2.0540 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6050 0.6110 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3850 -0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9210 0.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan233.sdf
- MOE2004 3D
- 19 19 0 0 0 0 0 0 0 0999 V2000
- -0.9990 1.2340 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8460 1.9130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2140 -0.1500 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1090 -1.0140 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2710 -2.0900 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2020 -0.5150 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4010 0.8700 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4030 1.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3060 1.7270 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6050 -0.7160 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3630 0.0740 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7600 -1.3410 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7660 -1.3210 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3650 -1.4630 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3210 -0.9290 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3420 -2.0890 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3320 -2.1050 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5560 3.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2940 3.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 18 19 1 0 0 0 0
- M END
- $$$$
- dan234.sdf
- MOE2004 3D
- 24 23 0 0 0 0 0 0 0 0999 V2000
- -4.9220 -0.2880 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0
- -5.3280 0.6250 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -5.6420 -1.0990 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.8110 -0.0930 1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5840 -0.6380 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1830 -1.5420 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7100 -0.8100 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6880 0.4600 0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4360 0.2600 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0380 -0.7180 -1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6460 1.4570 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1730 2.4000 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6420 1.4490 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1730 2.3870 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4260 0.2410 0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0170 -0.7580 0.9870 O 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6870 0.4590 -0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5820 -0.6440 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1940 -1.5320 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6830 -0.8540 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9330 -0.2690 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8470 -0.0420 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.3240 0.6310 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6530 -1.0820 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 21 24 1 0 0 0 0
- M END
- $$$$
- dan235.sdf
- MOE2004 3D
- 25 24 0 0 0 0 0 0 0 0999 V2000
- -3.1770 0.4180 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5710 1.3170 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.0270 -0.1980 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6400 0.7190 1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2820 -0.3660 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8990 -1.2540 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8940 -0.7340 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1290 0.4600 -1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5800 -0.1600 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5460 1.2900 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1480 1.0390 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6240 1.6030 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6670 1.7800 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5210 0.0180 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1960 0.5570 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2380 -0.4340 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2970 -1.1090 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6990 -1.7730 1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6090 -1.7190 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4400 -0.6370 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8960 -1.5000 -1.1390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0880 0.0410 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5240 0.0390 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9530 -0.5530 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9490 1.1590 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0
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- 23 24 1 0 0 0 0
- 23 25 2 0 0 0 0
- M END
- $$$$
- dan236.sdf
- MOE2004 3D
- 25 24 0 0 0 0 0 0 0 0999 V2000
- 4.0290 0.3180 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3860 0.8140 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0190 1.0520 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7470 -0.4660 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6470 -0.2810 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6980 -1.0280 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3490 -0.8040 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6220 0.7970 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5380 1.5150 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9820 1.3600 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2370 0.2370 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3830 1.0660 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3190 -0.4710 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4520 -0.4430 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1140 -1.3360 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4470 0.2250 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8830 -0.8750 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9020 -1.4190 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2440 -1.5510 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8680 0.2780 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.2260 -0.0440 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.8430 0.8590 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.1200 -0.4170 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.7160 -0.7940 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6040 1.4070 0.5730 O 0 0 0 0 0 0 0 0 0 0 0 0
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- 21 24 1 0 0 0 0
- M END
- $$$$
- dan237.sdf
- MOE2004 3D
- 26 25 0 0 0 0 0 0 0 0999 V2000
- 3.7820 0.1870 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1650 -0.8010 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6390 0.8350 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2580 0.6050 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8740 0.1060 -0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4840 1.1040 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4750 -0.2030 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.7170 -0.8790 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1840 -0.9620 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.1040 -1.8850 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7330 -0.4890 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2170 -0.5560 1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3880 0.5430 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3610 -1.4250 0.6580 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5060 -1.3020 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3330 -2.2060 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7410 -0.0060 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3980 -0.2290 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8120 0.3440 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3650 1.0730 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3210 2.0310 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7950 1.1940 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8170 0.7820 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.2360 1.6050 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.4250 0.6680 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9100 -0.1320 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 23 26 1 0 0 0 0
- M END
- $$$$
- dan238.sdf
- MOE2004 3D
- 26 25 0 0 0 0 0 0 0 0999 V2000
- -3.0290 -1.3200 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9110 -0.7380 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3250 -1.3080 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3430 -2.3570 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3960 -0.7720 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1020 -0.9120 1.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5100 -1.3640 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0400 0.7150 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9610 1.2900 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6460 1.0360 1.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0490 1.1000 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5170 0.9370 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8640 2.1790 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2970 0.3660 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1430 -0.7080 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8800 0.7080 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0990 0.6060 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2470 1.6850 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5410 0.2410 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4580 -0.0880 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9610 0.0630 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3300 -1.1630 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2620 0.4800 -0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4930 -0.0880 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0290 0.4120 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9550 -1.0020 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 24 26 2 0 0 0 0
- M END
- $$$$
- dan239.sdf
- MOE2004 3D
- 26 25 0 0 0 0 0 0 0 0999 V2000
- 4.3330 0.0060 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6310 -0.7680 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4270 -0.4060 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0350 0.8400 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9130 0.4790 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8620 0.9090 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6730 1.2800 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9070 -0.6670 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9240 -1.0620 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2160 -1.4880 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4760 -0.2700 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1330 -1.1810 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4630 0.1350 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1510 0.7420 -0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4260 1.6720 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1200 0.3290 -1.5250 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5960 1.0700 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6480 1.4500 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9780 1.8350 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3970 -0.1130 -0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7080 0.0500 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.2230 1.0920 0.4570 O 0 0 0 0 0 0 0 0 0 0 0 0
- -4.4420 -1.2480 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.0000 -2.0050 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
- -5.4890 -1.1100 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.4050 -1.5710 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 23 26 1 0 0 0 0
- M END
- $$$$
- dan240.sdf
- MOE2004 3D
- 26 25 0 0 0 0 0 0 0 0999 V2000
- 3.1950 0.7220 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9890 1.1790 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2390 0.3920 0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0880 1.4970 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2530 -0.4520 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4000 -1.2010 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5920 -1.1210 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9660 -2.0020 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4440 -0.4330 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6350 -1.4510 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7910 0.0130 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5880 0.5160 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5990 0.7050 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0660 -1.1370 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4300 -1.0550 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1060 -2.0780 0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0570 0.3330 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4370 1.0790 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4120 0.3570 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3060 0.0610 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8480 1.3610 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.1260 -0.3310 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.2170 0.6930 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2550 0.6780 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.8740 -0.0170 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.6460 1.6940 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 23 26 1 0 0 0 0
- M END
- $$$$
- dan241.sdf
- MOE2004 3D
- 27 26 0 0 1 0 0 0 0 0999 V2000
- -3.0620 0.4930 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.7820 0.5420 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3200 1.2760 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1790 -0.4710 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6390 0.6920 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9600 0.6200 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5450 1.7120 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2340 -0.3030 0.8520 C 0 0 3 0 0 0 0 0 0 0 0 0
- -1.2840 -1.7680 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.8040 -2.4130 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3170 -2.1060 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7770 -1.9320 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 0.0020 1.5320 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2350 0.3050 0.8510 C 0 0 3 0 0 0 0 0 0 0 0 0
- 1.2840 1.7700 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8060 2.4150 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3170 2.1070 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7750 1.9330 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6380 -0.6910 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9610 -0.6170 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5410 -1.7110 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0630 -0.4960 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1840 0.4690 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7810 -0.5510 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3180 -1.2780 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9830 -0.2100 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9840 0.2130 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
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- 22 25 1 0 0 0 0
- M END
- $$$$
- dan242.sdf
- MOE2004 3D
- 27 26 0 0 1 0 0 0 0 0999 V2000
- -1.4970 1.4010 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1550 1.2990 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0240 2.2940 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1590 0.1490 -0.5830 C 0 0 3 0 0 0 0 0 0 0 0 0
- 0.3270 0.1490 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5180 1.0450 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5050 -0.7040 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.3390 0.1010 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1930 -0.8100 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1850 0.9500 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7750 0.1310 -0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9410 1.0450 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9430 -0.7150 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7870 0.0700 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8050 0.0940 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6690 0.9200 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6730 -0.8510 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -3.0270 -1.3890 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan243.sdf
- MOE2004 3D
- 27 26 0 0 0 0 0 0 0 0999 V2000
- 3.3760 -0.6740 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0650 -1.7180 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0110 -0.6060 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.5050 1.2840 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 4.4260 0.6090 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan244.sdf
- MOE2004 3D
- 27 26 0 0 1 0 0 0 0 0999 V2000
- -4.2920 -0.7010 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 0.7420 -0.4280 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.9920 0.3750 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0100 0.5600 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9550 1.3540 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 4.5110 0.4410 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan245.sdf
- MOE2004 3D
- 27 26 0 0 0 0 0 0 0 0999 V2000
- -3.4700 -0.8300 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
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- -0.5700 -0.0210 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0880 0.6110 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1020 -0.6560 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2810 -0.9210 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.1230 -0.1910 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.0990 0.8640 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6390 1.3050 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5260 1.6880 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1080 0.3770 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7130 1.2240 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6010 -0.0250 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2480 -0.8870 -0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan246.sdf
- MOE2004 3D
- 21 21 0 0 0 0 0 0 0 0999 V2000
- -0.7930 0.2900 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6970 1.3470 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3460 2.3760 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -1.2700 -1.0240 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 0.6320 0.6140 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.0590 1.7600 0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.7970 -0.3320 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan247.sdf
- MOE2004 3D
- 22 22 0 0 0 0 0 0 0 0999 V2000
- -2.8670 1.2420 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.3490 2.2040 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5500 0.0670 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.7490 -0.0370 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 3.6240 0.0940 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4210 1.0350 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan248.sdf
- MOE2004 3D
- 24 24 0 0 0 0 0 0 0 0999 V2000
- 1.0000 -0.1600 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5210 -1.5290 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.1760 -2.3260 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -1.4630 0.5380 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0350 0.9280 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0330 1.1680 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2100 1.8520 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4430 1.6700 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
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- -2.4560 2.2530 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1660 2.3350 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3520 0.1840 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan249.sdf
- MOE2004 3D
- 28 27 0 0 0 0 0 0 0 0999 V2000
- -2.1270 0.0160 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.0470 0.2490 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 3.3320 0.8790 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.3570 -0.5900 1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan250.sdf
- MOE2004 3D
- 28 27 0 0 0 0 0 0 0 0999 V2000
- 4.5420 -0.2560 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9140 0.4010 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 0.7280 0.2470 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan251.sdf
- MOE2004 3D
- 28 27 0 0 0 0 0 0 0 0999 V2000
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- M END
- $$$$
- dan252.sdf
- MOE2004 3D
- 29 28 0 0 0 0 0 0 0 0999 V2000
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- M END
- $$$$
- dan253.sdf
- MOE2004 3D
- 29 28 0 0 0 0 0 0 0 0999 V2000
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- M END
- $$$$
- dan254.sdf
- MOE2004 3D
- 29 28 0 0 0 0 0 0 0 0999 V2000
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- M END
- $$$$
- dan255.sdf
- MOE2004 3D
- 30 29 0 0 0 0 0 0 0 0999 V2000
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- M END
- $$$$
- dan256.sdf
- MOE2004 3D
- 30 29 0 0 0 0 0 0 0 0999 V2000
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- M END
- $$$$
- dan257.sdf
- MOE2004 3D
- 30 29 0 0 1 0 0 0 0 0999 V2000
- 5.1930 -0.1090 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
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- -2.3830 -0.6560 1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6840 0.1880 -0.3290 C 0 0 3 0 0 0 0 0 0 0 0 0
- -4.8930 -0.6880 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.9740 -0.8890 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0
- -5.8170 -0.1790 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.8370 -1.6430 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8370 1.4330 0.3510 O 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8520 1.2520 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6600 0.4030 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 28 29 1 0 0 0 0
- M END
- $$$$
- dan258.sdf
- MOE2004 3D
- 30 29 0 0 0 0 0 0 0 0999 V2000
- -3.8910 1.0040 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.3660 1.1200 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2410 1.8670 -0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.6770 1.0250 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1180 -0.3040 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
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- -2.6450 -0.3890 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0790 -0.4680 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5930 -0.4490 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.6350 -1.4660 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9650 0.5860 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3980 1.5670 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3020 0.3660 1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1310 0.7030 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7690 1.0620 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6200 1.4860 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5620 -0.5860 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.1140 -0.3730 -1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5080 -1.2310 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.9440 -2.1290 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.6430 -0.3390 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.2250 0.5220 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2080 -0.9160 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5860 0.1300 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0040 -0.7260 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0640 0.7630 -1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.9590 1.0980 0.1920 S 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4740 0.1200 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 29 30 1 0 0 0 0
- M END
- $$$$
- dan259.sdf
- MOE2004 3D
- 24 24 0 0 0 0 0 0 0 0999 V2000
- 2.0740 -1.3800 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0870 -2.4580 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2820 -0.6900 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2230 -1.2270 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2830 0.6870 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2250 1.2230 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0760 1.3800 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0910 2.4570 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8590 0.6930 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8590 -0.6910 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.3560 -1.4940 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5470 -2.3820 0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1620 -1.1520 -0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3760 -1.9020 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
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- -0.3550 1.4970 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.5420 2.3900 -0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.1640 1.1510 0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3790 1.9010 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9670 1.7640 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9630 1.5290 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 21 24 1 0 0 0 0
- M END
- $$$$
- dan260.sdf
- MOE2004 3D
- 23 23 0 0 0 0 0 0 0 0999 V2000
- 4.4380 0.1990 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7370 -0.6850 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8450 1.0820 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.8890 0.1300 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9540 0.3220 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5960 1.1770 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.0910 -0.5570 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4610 -1.4250 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6340 -0.4530 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.1190 -1.6290 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.3700 -2.5990 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5110 -1.5730 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0830 -2.4910 0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1740 -0.3460 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4310 0.8330 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9060 1.8070 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0370 0.7750 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5160 1.7010 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.5550 -0.4290 0.1080 O 0 0 0 0 0 0 0 0 0 0 0 0
- -4.2690 0.8090 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9850 1.4490 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.1250 1.3220 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0
- -5.3350 0.5820 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan261.sdf
- MOE2004 3D
- 25 25 0 0 0 0 0 0 0 0999 V2000
- 3.0180 0.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3270 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8700 2.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9320 1.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4190 2.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1990 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.9380 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.4430 -2.1670 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.3360 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.8680 -2.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -1.8500 0.7670 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4860 0.2850 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -1.5230 1.8120 -1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8500 0.7700 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.4840 0.2910 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5240 1.8150 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9440 0.7780 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.9970 -1.3720 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7150 -1.9500 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0910 -1.3020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7150 -1.9520 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3900 0.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
- 4.7300 -0.8490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan262.sdf
- MOE2004 3D
- 32 31 0 0 0 0 0 0 0 0999 V2000
- 5.3550 0.1600 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6410 1.2150 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0640 -0.4040 0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4520 -0.1860 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9370 -0.0410 0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7090 -1.1110 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8820 0.2870 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9230 0.7350 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2190 1.7890 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.9470 0.3730 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4900 0.6590 0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.4700 1.0030 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.8820 1.3650 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -2.9930 -0.2570 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.2340 -1.3260 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0550 0.0430 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.0190 0.5260 -0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.8070 1.6010 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.9940 0.2470 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0
- -5.4140 0.3070 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
- -6.0050 1.1000 0.7370 O 0 0 0 0 0 0 0 0 0 0 0 0
- -5.9500 -0.8790 -0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0
- -5.3670 -1.4200 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 29 31 1 0 0 0 0
- 31 32 1 0 0 0 0
- M END
- $$$$
- dan263.sdf
- MOE2004 3D
- 32 31 0 0 0 0 0 0 0 0999 V2000
- 4.3100 -0.2300 -0.9180 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1230 -0.2300 -1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1220 0.4790 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6610 -1.2280 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0480 0.1570 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.7510 1.1610 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3560 0.2110 1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.5090 0.6060 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5960 -0.7820 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2100 0.8670 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9090 -0.8230 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.1830 -1.8430 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.5720 -0.4620 0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6360 -0.5630 1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.2960 0.5610 -0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.4190 -1.3760 -0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7090 -1.4000 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4530 -2.3230 -0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1980 -0.2430 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.3730 0.2920 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.7420 -0.6930 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.1140 0.7530 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.4120 1.5090 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
- -4.4000 0.1040 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
- -5.0930 0.8670 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -4.9090 -0.4460 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.3930 1.4860 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.5190 2.0230 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.0600 0.7980 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.0540 2.2240 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan264.sdf
- MOE2004 3D
- 32 31 0 0 0 0 0 0 0 0999 V2000
- 5.5050 -0.2330 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7590 -1.0450 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2480 0.5610 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.5850 -0.6120 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.1090 0.3020 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.0620 0.7290 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan265.sdf
- MOE2004 3D
- 33 32 0 0 0 0 0 0 0 0999 V2000
- -4.5140 0.5650 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0
- -5.1720 0.2650 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.1440 1.0650 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.8130 0.3570 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.5730 -1.0890 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6140 0.7530 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4100 1.7930 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1900 0.7600 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4320 0.1610 -0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0070 0.3180 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 32 33 1 0 0 0 0
- M END
- $$$$
- dan266.sdf
- MOE2004 3D
- 33 32 0 0 0 0 0 0 0 0999 V2000
- -4.4120 -0.5520 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 0.2750 0.0230 0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.2330 0.9540 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.6550 1.7280 -0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.1530 0.2740 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.7740 1.0430 -1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.4200 -1.6770 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6550 -1.2440 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.9710 -0.4560 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.3950 -0.0960 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5210 -1.3420 1.0890 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.1950 0.8100 0.3040 S 0 0 0 0 0 0 0 0 0 0 0 0
- 5.7890 0.1110 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan267.sdf
- MOE2004 3D
- 33 32 0 0 1 0 0 0 0 0999 V2000
- 5.1670 0.2890 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 5.8160 0.6480 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.6300 0.0590 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 3.2450 -0.2170 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan268.sdf
- MOE2004 3D
- 35 34 0 0 0 0 0 0 0 0999 V2000
- 5.2090 1.7100 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.0970 1.0860 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0310 2.2610 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.4260 2.4370 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.0000 0.8680 0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.2020 0.3550 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.1480 1.5350 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.5350 -1.1110 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.2270 0.2770 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -4.3570 -0.3780 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
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- -5.6860 0.3150 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0
- -6.2000 0.5210 1.2860 O 0 0 0 0 0 0 0 0 0 0 0 0
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- 34 35 1 0 0 0 0
- M END
- $$$$
- dan269.sdf
- MOE2004 3D
- 35 34 0 0 0 0 0 0 0 0999 V2000
- 6.0250 0.0990 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
- 6.2800 0.7590 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.7110 0.3170 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 6.1920 -0.9350 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.5850 0.3100 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.3880 -0.3360 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
- 4.4610 1.3450 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6010 0.0070 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8720 0.6060 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.1430 0.3170 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 1.5510 0.2140 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.5700 -0.6000 0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 2.1740 -0.5160 1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1220 -0.2720 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0
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- 0.0560 0.7700 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -5.0360 0.9680 -0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0
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- -6.4860 0.7960 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -7.1040 0.8340 -0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan270.sdf
- MOE2004 3D
- 36 35 0 0 0 0 0 0 0 0999 V2000
- -5.0260 0.4290 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
- -5.2500 1.3000 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0
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- M END
- $$$$
- dan271.sdf
- MOE2004 3D
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- M END
- $$$$
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- M END
- $$$$
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- MOE2004 3D
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- M END
- $$$$
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- MOE2004 3D
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- M END
- $$$$
- dan276.sdf
- MOE2004 3D
- 24 26 0 0 0 0 0 0 0 0999 V2000
- -2.4760 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4870 2.4830 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6830 0.6970 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.6240 1.2400 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6830 -0.6970 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
- -4.6240 -1.2400 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4760 -1.3960 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.4870 -2.4830 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2660 -0.6950 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2660 0.6950 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 1.4370 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2660 0.6950 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2660 -0.6950 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -1.4370 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4760 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4870 2.4830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6830 0.6970 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6240 1.2400 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.6830 -0.6970 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0
- 4.6240 -1.2400 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4760 -1.3960 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
- 2.4870 -2.4830 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 2.6630 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0
- 0.0000 -2.6630 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0
- 1 2 1 0 0 0 0
- 1 3 1 0 0 0 0
- 1 10 2 0 0 0 0
- 3 4 1 0 0 0 0
- 3 5 2 0 0 0 0
- 5 6 1 0 0 0 0
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- 17 18 1 0 0 0 0
- 17 19 1 0 0 0 0
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- 19 21 2 0 0 0 0
- 21 22 1 0 0 0 0
- M END
- $$$$
- dan277.sdf
- MOE2004 3D
- 37 37 0 0 0 0 0 0 0 0999 V2000
- 1.7640 0.0660 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2200 0.1390 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.0310 0.6510 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.4230 1.1610 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
- 3.7660 0.5630 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.2550 -0.1000 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
- 3.8420 -0.1670 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.9880 -0.6830 1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
- 1.6340 -1.1970 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
- 1.2010 -0.6070 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2030 -1.2550 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0720 -2.4270 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
- 0.7050 -3.1380 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.0110 -2.9870 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
- 0.1850 -2.0810 -2.2020 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6880 -1.8920 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.6760 -1.1850 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.7080 -2.2810 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0570 -2.7380 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2960 -0.2750 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.1640 -0.8840 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.9310 0.1170 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.8560 0.9380 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
- -2.9190 0.4960 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
- -3.6810 -0.1410 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0
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- -3.4380 1.3610 1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0
- -2.5650 1.8800 -0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
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- -1.8630 2.2740 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.7720 1.7530 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0
- -0.0050 2.1050 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0
- -1.2010 2.6400 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
- -0.2860 1.1770 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
- 5.0150 1.1220 0.1540 O 0 0 0 0 0 0 0 0 0 0 0 0
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- 28 29 1 0 0 0 0
- 28 30 1 0 0 0 0
- 28 31 1 0 0 0 0
- 32 33 1 0 0 0 0
- 32 34 1 0 0 0 0
- 32 35 1 0 0 0 0
- 36 37 1 0 0 0 0
- M END
- $$$$