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/data/set3/all.sdf

http://github.com/rajarshi/cdkr
Unknown | 3343 lines | 3278 code | 65 blank | 0 comment | 0 complexity | c6a2c904fc229541a94743a3f4fdd3bc MD5 | raw file
   1dan001.hin
   2 OpenBabel0803D
   3
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   6    1.0870    0.0000    0.0000 H   0  0  0  0  0
   7   -0.3625    1.0248    0.0000 H   0  0  0  0  0
   8   -0.3620   -0.5120   -0.8879 H   0  0  0  0  0
   9   -0.3626   -0.5129    0.8871 H   0  0  0  0  0
  10  1  2  1  0  0  0
  11  1  3  1  0  0  0
  12  1  4  1  0  0  0
  13  1  5  1  0  0  0
  14M  END
  15$$$$
  16dan002.hin
  17 OpenBabel0803D
  18
  19  8  7  0  0  0  0  0  0  0  0999 V2000
  20    0.0000    0.0000    0.0000 C   0  0  0  0  0
  21    1.5044    0.0000    0.0000 C   0  0  0  0  0
  22   -0.4048    1.0204    0.0000 H   0  0  0  0  0
  23   -0.4045   -0.5102   -0.8838 H   0  0  0  0  0
  24   -0.4047   -0.5104    0.8836 H   0  0  0  0  0
  25    1.9089   -1.0205    0.0034 H   0  0  0  0  0
  26    1.9090    0.5071   -0.8856 H   0  0  0  0  0
  27    1.9092    0.5133    0.8820 H   0  0  0  0  0
  28  1  2  1  0  0  0
  29  1  3  1  0  0  0
  30  1  4  1  0  0  0
  31  1  5  1  0  0  0
  32  2  6  1  0  0  0
  33  2  7  1  0  0  0
  34  2  8  1  0  0  0
  35M  END
  36$$$$
  37dan003.hin
  38 OpenBabel0803D
  39
  40 11 10  0  0  0  0  0  0  0  0999 V2000
  41    0.0000    0.0000    0.0000 C   0  0  0  0  0
  42    1.5123    0.0000    0.0000 C   0  0  0  0  0
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  44   -0.4001   -1.0219    0.0092 H   0  0  0  0  0
  45   -0.4041    0.5189    0.8795 H   0  0  0  0  0
  46   -0.4042    0.5033   -0.8884 H   0  0  0  0  0
  47    1.8890   -0.5550    0.8816 H   0  0  0  0  0
  48    1.8880   -0.5545   -0.8824 H   0  0  0  0  0
  49    3.1690    1.3988   -0.0177 H   0  0  0  0  0
  50    1.7325    1.9745   -0.8757 H   0  0  0  0  0
  51    1.7600    1.9646    0.8921 H   0  0  0  0  0
  52  1  2  1  0  0  0
  53  1  4  1  0  0  0
  54  1  5  1  0  0  0
  55  1  6  1  0  0  0
  56  2  3  1  0  0  0
  57  2  7  1  0  0  0
  58  2  8  1  0  0  0
  59  3  9  1  0  0  0
  60  3 10  1  0  0  0
  61  3 11  1  0  0  0
  62M  END
  63$$$$
  64dan004.hin
  65 OpenBabel0803D
  66
  67 14 13  0  0  0  0  0  0  0  0999 V2000
  68    0.0000    0.0000    0.0000 C   0  0  0  0  0
  69    1.5118    0.0000    0.0000 C   0  0  0  0  0
  70    2.0710    1.4140    0.0000 C   0  0  0  0  0
  71    3.5828    1.4138   -0.0022 C   0  0  0  0  0
  72   -0.3987   -1.0224    0.0023 H   0  0  0  0  0
  73   -0.4052    0.5123    0.8828 H   0  0  0  0  0
  74   -0.4050    0.5081   -0.8853 H   0  0  0  0  0
  75    1.8910   -0.5537    0.8820 H   0  0  0  0  0
  76    1.8907   -0.5534   -0.8822 H   0  0  0  0  0
  77    1.6907    1.9679   -0.8813 H   0  0  0  0  0
  78    1.6931    1.9670    0.8829 H   0  0  0  0  0
  79    3.9819    2.4361    0.0023 H   0  0  0  0  0
  80    3.9891    0.8990    0.8786 H   0  0  0  0  0
  81    3.9863    0.9079   -0.8895 H   0  0  0  0  0
  82  1  2  1  0  0  0
  83  1  5  1  0  0  0
  84  1  6  1  0  0  0
  85  1  7  1  0  0  0
  86  2  3  1  0  0  0
  87  2  8  1  0  0  0
  88  2  9  1  0  0  0
  89  3  4  1  0  0  0
  90  3 10  1  0  0  0
  91  3 11  1  0  0  0
  92  4 12  1  0  0  0
  93  4 13  1  0  0  0
  94  4 14  1  0  0  0
  95M  END
  96$$$$
  97dan005.hin
  98 OpenBabel0803D
  99
 100 14 13  0  0  0  0  0  0  0  0999 V2000
 101    0.0000    0.0000    0.0000 C   0  0  0  0  0
 102    1.5195    0.0000    0.0000 C   0  0  0  0  0
 103    2.0521    1.4232    0.0000 C   0  0  0  0  0
 104    2.0520   -0.7679   -1.1982 C   0  0  0  0  0
 105   -0.3994   -1.0222    0.0252 H   0  0  0  0  0
 106   -0.3997    0.5333    0.8723 H   0  0  0  0  0
 107    1.8723   -0.5088    0.9302 H   0  0  0  0  0
 108    3.1494    1.4392    0.0263 H   0  0  0  0  0
 109    1.7369    1.9722   -0.8976 H   0  0  0  0  0
 110    1.6917    1.9846    0.8717 H   0  0  0  0  0
 111   -0.4038    0.4884   -0.8971 H   0  0  0  0  0
 112    3.1493   -0.7957   -1.1994 H   0  0  0  0  0
 113    1.6946   -1.8059   -1.1983 H   0  0  0  0  0
 114    1.7339   -0.3109   -2.1450 H   0  0  0  0  0
 115  1  2  1  0  0  0
 116  1  5  1  0  0  0
 117  1  6  1  0  0  0
 118  1 11  1  0  0  0
 119  2  3  1  0  0  0
 120  2  4  1  0  0  0
 121  2  7  1  0  0  0
 122  3  8  1  0  0  0
 123  3  9  1  0  0  0
 124  3 10  1  0  0  0
 125  4 12  1  0  0  0
 126  4 13  1  0  0  0
 127  4 14  1  0  0  0
 128M  END
 129$$$$
 130dan006.hin
 131 OpenBabel0803D
 132
 133 17 16  0  0  0  0  0  0  0  0999 V2000
 134    0.0000    0.0000    0.0000 C   0  0  0  0  0
 135    1.5120    0.0000    0.0000 C   0  0  0  0  0
 136    2.0691    1.4145    0.0000 C   0  0  0  0  0
 137    3.5893    1.4144    0.0022 C   0  0  0  0  0
 138    4.1433    2.8212    0.0023 C   0  0  0  0  0
 139   -0.3986   -1.0225    0.0013 H   0  0  0  0  0
 140   -0.4053    0.5114    0.8834 H   0  0  0  0  0
 141   -0.4050    0.5090   -0.8848 H   0  0  0  0  0
 142    1.8905   -0.5540    0.8821 H   0  0  0  0  0
 143    1.8903   -0.5536   -0.8824 H   0  0  0  0  0
 144    1.6925    1.9688   -0.8832 H   0  0  0  0  0
 145    1.6901    1.9699    0.8816 H   0  0  0  0  0
 146    3.9647    0.8595    0.8851 H   0  0  0  0  0
 147    3.9671    0.8592   -0.8794 H   0  0  0  0  0
 148    5.2407    2.8177    0.0046 H   0  0  0  0  0
 149    3.8188    3.3843   -0.8829 H   0  0  0  0  0
 150    3.8151    3.3858    0.8853 H   0  0  0  0  0
 151  1  2  1  0  0  0
 152  1  6  1  0  0  0
 153  1  7  1  0  0  0
 154  1  8  1  0  0  0
 155  2  3  1  0  0  0
 156  2  9  1  0  0  0
 157  2 10  1  0  0  0
 158  3  4  1  0  0  0
 159  3 11  1  0  0  0
 160  3 12  1  0  0  0
 161  4  5  1  0  0  0
 162  4 13  1  0  0  0
 163  4 14  1  0  0  0
 164  5 15  1  0  0  0
 165  5 16  1  0  0  0
 166  5 17  1  0  0  0
 167M  END
 168$$$$
 169dan007.hin
 170 OpenBabel0803D
 171
 172 17 16  0  0  0  0  0  0  0  0999 V2000
 173    0.0000    0.0000    0.0000 C   0  0  0  0  0
 174    1.5124    0.0000    0.0000 C   0  0  0  0  0
 175    2.0985    1.4133    0.0000 C   0  0  0  0  0
 176    3.5699    1.3710   -0.3815 C   0  0  0  0  0
 177    1.9315    2.0792    1.3563 C   0  0  0  0  0
 178   -0.3964   -1.0234    0.0068 H   0  0  0  0  0
 179   -0.4079    0.5154    0.8808 H   0  0  0  0  0
 180   -0.4060    0.5033   -0.8878 H   0  0  0  0  0
 181    1.8932   -0.5627    0.8757 H   0  0  0  0  0
 182    1.8792   -0.5505   -0.8896 H   0  0  0  0  0
 183    1.5531    2.0212   -0.7633 H   0  0  0  0  0
 184    4.0116    2.3761   -0.3766 H   0  0  0  0  0
 185    4.1503    0.7537    0.3174 H   0  0  0  0  0
 186    3.7141    0.9534   -1.3866 H   0  0  0  0  0
 187    2.3186    3.1064    1.3461 H   0  0  0  0  0
 188    0.8745    2.1271    1.6520 H   0  0  0  0  0
 189    2.4683    1.5334    2.1440 H   0  0  0  0  0
 190  1  2  1  0  0  0
 191  1  6  1  0  0  0
 192  1  7  1  0  0  0
 193  1  8  1  0  0  0
 194  2  3  1  0  0  0
 195  2  9  1  0  0  0
 196  2 10  1  0  0  0
 197  3  4  1  0  0  0
 198  3  5  1  0  0  0
 199  3 11  1  0  0  0
 200  4 12  1  0  0  0
 201  4 13  1  0  0  0
 202  4 14  1  0  0  0
 203  5 15  1  0  0  0
 204  5 16  1  0  0  0
 205  5 17  1  0  0  0
 206M  END
 207$$$$
 208dan008.hin
 209 OpenBabel0803D
 210
 211 17 16  0  0  0  0  0  0  0  0999 V2000
 212    0.0000    0.0000    0.0000 C   0  0  0  0  0
 213    1.5266    0.0000    0.0000 C   0  0  0  0  0
 214    2.0356    1.4393    0.0000 C   0  0  0  0  0
 215    2.0354   -0.7197    1.2465 C   0  0  0  0  0
 216    2.0355   -0.7198   -1.2464 C   0  0  0  0  0
 217   -0.3993   -1.0228    0.0014 H   0  0  0  0  0
 218   -0.3995    0.5126    0.8850 H   0  0  0  0  0
 219   -0.3993    0.5100   -0.8866 H   0  0  0  0  0
 220    3.1330    1.4749    0.0019 H   0  0  0  0  0
 221    1.6881    1.9856   -0.8868 H   0  0  0  0  0
 222    1.6849    1.9870    0.8847 H   0  0  0  0  0
 223    3.1328   -0.7378    1.2773 H   0  0  0  0  0
 224    1.6866   -0.2258    2.1630 H   0  0  0  0  0
 225    1.6861   -1.7601    1.2776 H   0  0  0  0  0
 226    3.1329   -0.7376   -1.2772 H   0  0  0  0  0
 227    1.6865   -1.7604   -1.2769 H   0  0  0  0  0
 228    1.6865   -0.2266   -2.1631 H   0  0  0  0  0
 229  1  2  1  0  0  0
 230  1  6  1  0  0  0
 231  1  7  1  0  0  0
 232  1  8  1  0  0  0
 233  2  3  1  0  0  0
 234  2  4  1  0  0  0
 235  2  5  1  0  0  0
 236  3  9  1  0  0  0
 237  3 10  1  0  0  0
 238  3 11  1  0  0  0
 239  4 12  1  0  0  0
 240  4 13  1  0  0  0
 241  4 14  1  0  0  0
 242  5 15  1  0  0  0
 243  5 16  1  0  0  0
 244  5 17  1  0  0  0
 245M  END
 246$$$$
 247dan009.hin
 248 OpenBabel0803D
 249
 250 20 19  0  0  0  0  0  0  0  0999 V2000
 251    0.0000    0.0000    0.0000 C   0  0  0  0  0
 252    1.5119    0.0000    0.0000 C   0  0  0  0  0
 253    2.0691    1.4146    0.0000 C   0  0  0  0  0
 254    3.5889    1.4122   -0.0031 C   0  0  0  0  0
 255    4.1463    2.8266    0.0024 C   0  0  0  0  0
 256    5.6583    2.8261   -0.0038 C   0  0  0  0  0
 257   -0.3986   -1.0224    0.0030 H   0  0  0  0  0
 258   -0.4052    0.5128    0.8825 H   0  0  0  0  0
 259   -0.4050    0.5075   -0.8856 H   0  0  0  0  0
 260    1.8905   -0.5539    0.8821 H   0  0  0  0  0
 261    1.8902   -0.5537   -0.8823 H   0  0  0  0  0
 262    1.6891    1.9696   -0.8814 H   0  0  0  0  0
 263    1.6924    1.9683    0.8836 H   0  0  0  0  0
 264    3.9691    0.8535    0.8759 H   0  0  0  0  0
 265    3.9652    0.8619   -0.8890 H   0  0  0  0  0
 266    3.7645    3.3852   -0.8754 H   0  0  0  0  0
 267    3.7715    3.3757    0.8891 H   0  0  0  0  0
 268    6.0574    3.8483    0.0038 H   0  0  0  0  0
 269    6.0668    2.3076    0.8739 H   0  0  0  0  0
 270    6.0593    2.3237   -0.8942 H   0  0  0  0  0
 271  1  2  1  0  0  0
 272  1  7  1  0  0  0
 273  1  8  1  0  0  0
 274  1  9  1  0  0  0
 275  2  3  1  0  0  0
 276  2 10  1  0  0  0
 277  2 11  1  0  0  0
 278  3  4  1  0  0  0
 279  3 12  1  0  0  0
 280  3 13  1  0  0  0
 281  4  5  1  0  0  0
 282  4 14  1  0  0  0
 283  4 15  1  0  0  0
 284  5  6  1  0  0  0
 285  5 16  1  0  0  0
 286  5 17  1  0  0  0
 287  6 18  1  0  0  0
 288  6 19  1  0  0  0
 289  6 20  1  0  0  0
 290M  END
 291$$$$
 292dan010.hin
 293 OpenBabel0803D
 294
 295 20 19  0  0  0  0  0  0  0  0999 V2000
 296    0.0000    0.0000    0.0000 C   0  0  0  0  0
 297    1.5191    0.0000    0.0000 C   0  0  0  0  0
 298    2.0534    1.4333    0.0000 C   0  0  0  0  0
 299    3.5616    1.4659    0.1950 C   0  0  0  0  0
 300    4.1196    2.8581    0.0135 C   0  0  0  0  0
 301    2.0517   -0.7685   -1.1990 C   0  0  0  0  0
 302   -0.3963   -1.0237   -0.0040 H   0  0  0  0  0
 303   -0.4022    0.5070    0.8868 H   0  0  0  0  0
 304    1.8740   -0.5062    0.9314 H   0  0  0  0  0
 305    1.7821    1.9333   -0.9519 H   0  0  0  0  0
 306    1.5565    2.0203    0.7980 H   0  0  0  0  0
 307    3.8208    1.0801    1.2007 H   0  0  0  0  0
 308    5.2058    2.8753    0.1688 H   0  0  0  0  0
 309    3.9263    3.2446   -0.9961 H   0  0  0  0  0
 310    3.6744    3.5671    0.7242 H   0  0  0  0  0
 311   -0.4049    0.5124   -0.8833 H   0  0  0  0  0
 312    3.1473   -0.6599   -1.2664 H   0  0  0  0  0
 313    1.8188   -1.8380   -1.1295 H   0  0  0  0  0
 314    1.6270   -0.3973   -2.1411 H   0  0  0  0  0
 315    4.0324    0.7576   -0.5249 H   0  0  0  0  0
 316  1  2  1  0  0  0
 317  1  7  1  0  0  0
 318  1  8  1  0  0  0
 319  1 16  1  0  0  0
 320  2  3  1  0  0  0
 321  2  6  1  0  0  0
 322  2  9  1  0  0  0
 323  3  4  1  0  0  0
 324  3 10  1  0  0  0
 325  3 11  1  0  0  0
 326  4  5  1  0  0  0
 327  4 12  1  0  0  0
 328  4 20  1  0  0  0
 329  5 13  1  0  0  0
 330  5 14  1  0  0  0
 331  5 15  1  0  0  0
 332  6 17  1  0  0  0
 333  6 18  1  0  0  0
 334  6 19  1  0  0  0
 335M  END
 336$$$$
 337dan011.hin
 338 OpenBabel0803D
 339
 340 20 19  0  0  0  0  0  0  0  0999 V2000
 341    0.0000    0.0000    0.0000 C   0  0  0  0  0
 342    1.5130    0.0000    0.0000 C   0  0  0  0  0
 343    2.0766    1.4242    0.0000 C   0  0  0  0  0
 344    3.5930    1.3899    0.1964 C   0  0  0  0  0
 345    4.1643    2.7477    0.5391 C   0  0  0  0  0
 346    1.6995    2.1329   -1.2920 C   0  0  0  0  0
 347   -0.4037   -1.0079   -0.1533 H   0  0  0  0  0
 348   -0.4067    0.3794    0.9464 H   0  0  0  0  0
 349   -0.3879    0.6475   -0.8047 H   0  0  0  0  0
 350    1.8882   -0.5555    0.8824 H   0  0  0  0  0
 351    1.8942   -0.5494   -0.8838 H   0  0  0  0  0
 352    1.6204    1.9794    0.8569 H   0  0  0  0  0
 353    3.8445    0.6738    1.0049 H   0  0  0  0  0
 354    4.0808    0.9911   -0.7155 H   0  0  0  0  0
 355    5.2483    2.6913    0.7019 H   0  0  0  0  0
 356    3.9922    3.4781   -0.2632 H   0  0  0  0  0
 357    3.7159    3.1578    1.4539 H   0  0  0  0  0
 358    1.9272    3.2055   -1.2501 H   0  0  0  0  0
 359    2.2314    1.7151   -2.1571 H   0  0  0  0  0
 360    0.6191    2.0224   -1.4855 H   0  0  0  0  0
 361  1  2  1  0  0  0
 362  1  7  1  0  0  0
 363  1  8  1  0  0  0
 364  1  9  1  0  0  0
 365  2  3  1  0  0  0
 366  2 10  1  0  0  0
 367  2 11  1  0  0  0
 368  3  4  1  0  0  0
 369  3  6  1  0  0  0
 370  3 12  1  0  0  0
 371  4  5  1  0  0  0
 372  4 13  1  0  0  0
 373  4 14  1  0  0  0
 374  5 15  1  0  0  0
 375  5 16  1  0  0  0
 376  5 17  1  0  0  0
 377  6 18  1  0  0  0
 378  6 19  1  0  0  0
 379  6 20  1  0  0  0
 380M  END
 381$$$$
 382dan012.hin
 383 OpenBabel0803D
 384
 385 20 19  0  0  0  0  0  0  0  0999 V2000
 386    0.0000    0.0000    0.0000 C   0  0  0  0  0
 387    1.5134    0.0000    0.0000 C   0  0  0  0  0
 388    2.0954    1.4253    0.0000 C   0  0  0  0  0
 389    3.6205    1.3466   -0.0007 C   0  0  0  0  0
 390    1.6286    2.1675   -1.2510 C   0  0  0  0  0
 391    1.6296    2.1673    1.2515 C   0  0  0  0  0
 392   -0.4087   -1.0162    0.0028 H   0  0  0  0  0
 393   -0.3895    0.5336    0.8828 H   0  0  0  0  0
 394   -0.3893    0.5287   -0.8857 H   0  0  0  0  0
 395    1.8921   -0.5504    0.8840 H   0  0  0  0  0
 396    1.8919   -0.5502   -0.8842 H   0  0  0  0  0
 397    4.0674    2.3494    0.0015 H   0  0  0  0  0
 398    3.9968    0.8145    0.8832 H   0  0  0  0  0
 399    3.9961    0.8188   -0.8875 H   0  0  0  0  0
 400    1.8896    3.2325   -1.2132 H   0  0  0  0  0
 401    2.0820    1.7462   -2.1580 H   0  0  0  0  0
 402    0.5349    2.0857   -1.3641 H   0  0  0  0  0
 403    1.8898    3.2324    1.2134 H   0  0  0  0  0
 404    0.5360    2.0848    1.3659 H   0  0  0  0  0
 405    2.0845    1.7462    2.1578 H   0  0  0  0  0
 406  1  2  1  0  0  0
 407  1  7  1  0  0  0
 408  1  8  1  0  0  0
 409  1  9  1  0  0  0
 410  2  3  1  0  0  0
 411  2 10  1  0  0  0
 412  2 11  1  0  0  0
 413  3  4  1  0  0  0
 414  3  5  1  0  0  0
 415  3  6  1  0  0  0
 416  4 12  1  0  0  0
 417  4 13  1  0  0  0
 418  4 14  1  0  0  0
 419  5 15  1  0  0  0
 420  5 16  1  0  0  0
 421  5 17  1  0  0  0
 422  6 18  1  0  0  0
 423  6 19  1  0  0  0
 424  6 20  1  0  0  0
 425M  END
 426$$$$
 427dan013.hin
 428 OpenBabel0803D
 429
 430 20 19  0  0  0  0  0  0  0  0999 V2000
 431    0.0000    0.0000    0.0000 C   0  0  0  0  0
 432    1.5214    0.0000    0.0000 C   0  0  0  0  0
 433    2.0755    1.4380    0.0000 C   0  0  0  0  0
 434    3.5969    1.4380   -0.0008 C   0  0  0  0  0
 435    1.5684    2.2194   -1.2029 C   0  0  0  0  0
 436    2.0279   -0.7815    1.2030 C   0  0  0  0  0
 437   -0.3985   -1.0116   -0.1450 H   0  0  0  0  0
 438   -0.4064    0.3834    0.9458 H   0  0  0  0  0
 439   -0.3945    0.6400   -0.8061 H   0  0  0  0  0
 440    1.8798   -0.5034   -0.9314 H   0  0  0  0  0
 441    1.7172    1.9413    0.9316 H   0  0  0  0  0
 442    3.9956    2.4489    0.1489 H   0  0  0  0  0
 443    3.9920    0.7941    0.8019 H   0  0  0  0  0
 444    4.0026    1.0593   -0.9487 H   0  0  0  0  0
 445    1.8387    3.2801   -1.1318 H   0  0  0  0  0
 446    1.9855    1.8339   -2.1431 H   0  0  0  0  0
 447    0.4710    2.1523   -1.2828 H   0  0  0  0  0
 448    3.1252   -0.7150    1.2832 H   0  0  0  0  0
 449    1.6106   -0.3956    2.1430 H   0  0  0  0  0
 450    1.7572   -1.8421    1.1321 H   0  0  0  0  0
 451  1  2  1  0  0  0
 452  1  7  1  0  0  0
 453  1  8  1  0  0  0
 454  1  9  1  0  0  0
 455  2  3  1  0  0  0
 456  2  6  1  0  0  0
 457  2 10  1  0  0  0
 458  3  4  1  0  0  0
 459  3  5  1  0  0  0
 460  3 11  1  0  0  0
 461  4 12  1  0  0  0
 462  4 13  1  0  0  0
 463  4 14  1  0  0  0
 464  5 15  1  0  0  0
 465  5 16  1  0  0  0
 466  5 17  1  0  0  0
 467  6 18  1  0  0  0
 468  6 19  1  0  0  0
 469  6 20  1  0  0  0
 470M  END
 471$$$$
 472dan014.hin
 473 OpenBabel0803D
 474
 475 23 22  0  0  0  0  0  0  0  0999 V2000
 476    0.0000    0.0000    0.0000 C   0  0  0  0  0
 477    1.5120    0.0000    0.0000 C   0  0  0  0  0
 478    2.0690    1.4147    0.0000 C   0  0  0  0  0
 479    3.5890    1.4124    0.0005 C   0  0  0  0  0
 480    4.1441    2.8274   -0.0002 C   0  0  0  0  0
 481    5.6645    2.8271    0.0023 C   0  0  0  0  0
 482    6.2186    4.2339    0.0008 C   0  0  0  0  0
 483   -0.3985   -1.0225    0.0030 H   0  0  0  0  0
 484   -0.4053    0.5128    0.8825 H   0  0  0  0  0
 485   -0.4050    0.5074   -0.8857 H   0  0  0  0  0
 486    1.8904   -0.5538    0.8822 H   0  0  0  0  0
 487    1.8903   -0.5538   -0.8823 H   0  0  0  0  0
 488    1.6910    1.9687   -0.8829 H   0  0  0  0  0
 489    1.6902    1.9693    0.8822 H   0  0  0  0  0
 490    3.9663    0.8581    0.8835 H   0  0  0  0  0
 491    3.9668    0.8572   -0.8817 H   0  0  0  0  0
 492    3.7685    3.3814   -0.8841 H   0  0  0  0  0
 493    3.7654    3.3838    0.8809 H   0  0  0  0  0
 494    6.0396    2.2734    0.8860 H   0  0  0  0  0
 495    6.0423    2.2707   -0.8785 H   0  0  0  0  0
 496    7.3160    4.2301    0.0041 H   0  0  0  0  0
 497    5.8950    4.7957   -0.8855 H   0  0  0  0  0
 498    5.8897    4.7998    0.8827 H   0  0  0  0  0
 499  1  2  1  0  0  0
 500  1  8  1  0  0  0
 501  1  9  1  0  0  0
 502  1 10  1  0  0  0
 503  2  3  1  0  0  0
 504  2 11  1  0  0  0
 505  2 12  1  0  0  0
 506  3  4  1  0  0  0
 507  3 13  1  0  0  0
 508  3 14  1  0  0  0
 509  4  5  1  0  0  0
 510  4 15  1  0  0  0
 511  4 16  1  0  0  0
 512  5  6  1  0  0  0
 513  5 17  1  0  0  0
 514  5 18  1  0  0  0
 515  6  7  1  0  0  0
 516  6 19  1  0  0  0
 517  6 20  1  0  0  0
 518  7 21  1  0  0  0
 519  7 22  1  0  0  0
 520  7 23  1  0  0  0
 521M  END
 522$$$$
 523dan015.hin
 524 OpenBabel0803D
 525
 526 23 22  0  0  0  0  0  0  0  0999 V2000
 527    0.0000    0.0000    0.0000 C   0  0  0  0  0
 528    1.5120    0.0000    0.0000 C   0  0  0  0  0
 529    2.0683    1.4136    0.0000 C   0  0  0  0  0
 530    3.5890    1.4181    0.0144 C   0  0  0  0  0
 531    4.1457    2.8305   -0.1742 C   0  0  0  0  0
 532    5.6503    2.8396    0.0352 C   0  0  0  0  0
 533    3.7971    3.3619   -1.5555 C   0  0  0  0  0
 534   -0.3986   -1.0224    0.0002 H   0  0  0  0  0
 535   -0.4055    0.5105    0.8837 H   0  0  0  0  0
 536   -0.4045    0.5100   -0.8844 H   0  0  0  0  0
 537    1.8915   -0.5524    0.8826 H   0  0  0  0  0
 538    1.8897   -0.5546   -0.8821 H   0  0  0  0  0
 539    1.7128    1.9735   -0.8958 H   0  0  0  0  0
 540    1.6782    1.9748    0.8725 H   0  0  0  0  0
 541    3.9597    0.9920    0.9679 H   0  0  0  0  0
 542    3.9804    0.7535   -0.7825 H   0  0  0  0  0
 543    3.6765    3.4971    0.5909 H   0  0  0  0  0
 544    6.0638    3.8470   -0.1031 H   0  0  0  0  0
 545    5.9175    2.5083    1.0472 H   0  0  0  0  0
 546    6.1616    2.1745   -0.6739 H   0  0  0  0  0
 547    4.0411    4.4268   -1.6522 H   0  0  0  0  0
 548    4.3377    2.8248   -2.3460 H   0  0  0  0  0
 549    2.7187    3.2381   -1.7515 H   0  0  0  0  0
 550  1  2  1  0  0  0
 551  1  8  1  0  0  0
 552  1  9  1  0  0  0
 553  1 10  1  0  0  0
 554  2  3  1  0  0  0
 555  2 11  1  0  0  0
 556  2 12  1  0  0  0
 557  3  4  1  0  0  0
 558  3 13  1  0  0  0
 559  3 14  1  0  0  0
 560  4  5  1  0  0  0
 561  4 15  1  0  0  0
 562  4 16  1  0  0  0
 563  5  6  1  0  0  0
 564  5  7  1  0  0  0
 565  5 17  1  0  0  0
 566  6 18  1  0  0  0
 567  6 19  1  0  0  0
 568  6 20  1  0  0  0
 569  7 21  1  0  0  0
 570  7 22  1  0  0  0
 571  7 23  1  0  0  0
 572M  END
 573$$$$
 574dan016.hin
 575 OpenBabel0803D
 576
 577 23 22  0  0  0  0  0  0  0  0999 V2000
 578    0.0000    0.0000    0.0000 C   0  0  0  0  0
 579    1.5109    0.0000    0.0000 C   0  0  0  0  0
 580    2.0738    1.4133    0.0000 C   0  0  0  0  0
 581    3.5945    1.4136    0.1786 C   0  0  0  0  0
 582    4.1469    2.8247   -0.0310 C   0  0  0  0  0
 583    5.6489    2.8390   -0.2079 C   0  0  0  0  0
 584    3.9596    0.8740    1.5532 C   0  0  0  0  0
 585   -0.3981   -1.0226   -0.0080 H   0  0  0  0  0
 586   -0.4062    0.5033    0.8875 H   0  0  0  0  0
 587   -0.4038    0.5169   -0.8807 H   0  0  0  0  0
 588    1.9023   -0.5451    0.8893 H   0  0  0  0  0
 589    1.8913   -0.5575   -0.8786 H   0  0  0  0  0
 590    1.8018    1.9226   -0.9463 H   0  0  0  0  0
 591    1.6031    2.0105    0.8071 H   0  0  0  0  0
 592    4.0381    0.7413   -0.5973 H   0  0  0  0  0
 593    3.6706    3.2791   -0.9234 H   0  0  0  0  0
 594    3.8579    3.4717    0.8214 H   0  0  0  0  0
 595    6.0178    3.8588   -0.3767 H   0  0  0  0  0
 596    6.1689    2.4458    0.6764 H   0  0  0  0  0
 597    5.9623    2.2303   -1.0667 H   0  0  0  0  0
 598    5.0385    0.6985    1.6488 H   0  0  0  0  0
 599    3.6641    1.5647    2.3543 H   0  0  0  0  0
 600    3.4427   -0.0830    1.7371 H   0  0  0  0  0
 601  1  2  1  0  0  0
 602  1  8  1  0  0  0
 603  1  9  1  0  0  0
 604  1 10  1  0  0  0
 605  2  3  1  0  0  0
 606  2 11  1  0  0  0
 607  2 12  1  0  0  0
 608  3  4  1  0  0  0
 609  3 13  1  0  0  0
 610  3 14  1  0  0  0
 611  4  5  1  0  0  0
 612  4  7  1  0  0  0
 613  4 15  1  0  0  0
 614  5  6  1  0  0  0
 615  5 16  1  0  0  0
 616  5 17  1  0  0  0
 617  6 18  1  0  0  0
 618  6 19  1  0  0  0
 619  6 20  1  0  0  0
 620  7 21  1  0  0  0
 621  7 22  1  0  0  0
 622  7 23  1  0  0  0
 623M  END
 624$$$$
 625dan017.hin
 626 OpenBabel0803D
 627
 628 23 22  0  0  0  0  0  0  0  0999 V2000
 629    0.0000    0.0000    0.0000 C   0  0  0  0  0
 630    1.5094    0.0000    0.0000 C   0  0  0  0  0
 631    2.0770    1.4118    0.0000 C   0  0  0  0  0
 632    3.6161    1.4229    0.0031 C   0  0  0  0  0
 633    4.1066    2.8695    0.0026 C   0  0  0  0  0
 634    4.1328    0.7176    1.2559 C   0  0  0  0  0
 635    4.1376    0.7152   -1.2464 C   0  0  0  0  0
 636   -0.3975   -1.0228    0.0026 H   0  0  0  0  0
 637   -0.4048    0.5125    0.8828 H   0  0  0  0  0
 638   -0.4046    0.5078   -0.8856 H   0  0  0  0  0
 639    1.9072   -0.5502    0.8827 H   0  0  0  0  0
 640    1.9074   -0.5503   -0.8825 H   0  0  0  0  0
 641    1.7067    1.9663   -0.8856 H   0  0  0  0  0
 642    1.7030    1.9680    0.8831 H   0  0  0  0  0
 643    5.2035    2.9142    0.0059 H   0  0  0  0  0
 644    3.7558    3.4133   -0.8846 H   0  0  0  0  0
 645    3.7503    3.4158    0.8862 H   0  0  0  0  0
 646    5.2199    0.5731    1.2221 H   0  0  0  0  0
 647    3.9019    1.2934    2.1620 H   0  0  0  0  0
 648    3.6586   -0.2716    1.3676 H   0  0  0  0  0
 649    5.2243    0.5689   -1.2071 H   0  0  0  0  0
 650    3.6622   -0.2734   -1.3590 H   0  0  0  0  0
 651    3.9122    1.2899   -2.1545 H   0  0  0  0  0
 652  1  2  1  0  0  0
 653  1  8  1  0  0  0
 654  1  9  1  0  0  0
 655  1 10  1  0  0  0
 656  2  3  1  0  0  0
 657  2 11  1  0  0  0
 658  2 12  1  0  0  0
 659  3  4  1  0  0  0
 660  3 13  1  0  0  0
 661  3 14  1  0  0  0
 662  4  5  1  0  0  0
 663  4  6  1  0  0  0
 664  4  7  1  0  0  0
 665  5 15  1  0  0  0
 666  5 16  1  0  0  0
 667  5 17  1  0  0  0
 668  6 18  1  0  0  0
 669  6 19  1  0  0  0
 670  6 20  1  0  0  0
 671  7 21  1  0  0  0
 672  7 22  1  0  0  0
 673  7 23  1  0  0  0
 674M  END
 675$$$$
 676dan018.hin
 677 OpenBabel0803D
 678
 679 23 22  0  0  0  0  0  0  0  0999 V2000
 680    0.0000    0.0000    0.0000 C   0  0  0  0  0
 681    1.5120    0.0000    0.0000 C   0  0  0  0  0
 682    2.0971    1.4162    0.0000 C   0  0  0  0  0
 683    3.5707    1.4101    0.4564 C   0  0  0  0  0
 684    4.1489    2.8182    0.4545 C   0  0  0  0  0
 685    3.7238    0.8136    1.8476 C   0  0  0  0  0
 686    1.9713    2.0292   -1.3881 C   0  0  0  0  0
 687   -0.3953   -1.0239    0.0084 H   0  0  0  0  0
 688   -0.4064    0.5157    0.8804 H   0  0  0  0  0
 689   -0.4094    0.5009   -0.8880 H   0  0  0  0  0
 690    1.8812   -0.5533    0.8928 H   0  0  0  0  0
 691    1.8935   -0.5656   -0.8735 H   0  0  0  0  0
 692    1.5187    2.0426    0.7237 H   0  0  0  0  0
 693    4.1485    0.7840   -0.2672 H   0  0  0  0  0
 694    5.2291    2.8053    0.6455 H   0  0  0  0  0
 695    3.9823    3.3151   -0.5151 H   0  0  0  0  0
 696    3.6840    3.4479    1.2251 H   0  0  0  0  0
 697    4.7805    0.7362    2.1324 H   0  0  0  0  0
 698    3.2194    1.4243    2.6086 H   0  0  0  0  0
 699    3.2870   -0.1969    1.8985 H   0  0  0  0  0
 700    2.4663    3.0132   -1.4323 H   0  0  0  0  0
 701    2.4386    1.3977   -2.1559 H   0  0  0  0  0
 702    0.9201    2.1698   -1.6710 H   0  0  0  0  0
 703  1  2  1  0  0  0
 704  1  8  1  0  0  0
 705  1  9  1  0  0  0
 706  1 10  1  0  0  0
 707  2  3  1  0  0  0
 708  2 11  1  0  0  0
 709  2 12  1  0  0  0
 710  3  4  1  0  0  0
 711  3  7  1  0  0  0
 712  3 13  1  0  0  0
 713  4  5  1  0  0  0
 714  4  6  1  0  0  0
 715  4 14  1  0  0  0
 716  5 15  1  0  0  0
 717  5 16  1  0  0  0
 718  5 17  1  0  0  0
 719  6 18  1  0  0  0
 720  6 19  1  0  0  0
 721  6 20  1  0  0  0
 722  7 21  1  0  0  0
 723  7 22  1  0  0  0
 724  7 23  1  0  0  0
 725M  END
 726$$$$
 727dan019.hin
 728 OpenBabel0803D
 729
 730 23 22  0  0  0  0  0  0  0  0999 V2000
 731    0.0000    0.0000    0.0000 C   0  0  0  0  0
 732    1.5217    0.0000    0.0000 C   0  0  0  0  0
 733    2.0505    1.4383    0.0000 C   0  0  0  0  0
 734    3.4380    1.5801   -0.6346 C   0  0  0  0  0
 735    3.6205    2.9853   -1.1893 C   0  0  0  0  0
 736    4.5461    1.2748    0.3603 C   0  0  0  0  0
 737    2.0335   -0.7880    1.1949 C   0  0  0  0  0
 738   -0.3976   -1.0230    0.0276 H   0  0  0  0  0
 739   -0.4037    0.5326    0.8716 H   0  0  0  0  0
 740   -0.4048    0.4848   -0.8981 H   0  0  0  0  0
 741    1.8706   -0.5076   -0.9336 H   0  0  0  0  0
 742    1.3369    2.0797   -0.5582 H   0  0  0  0  0
 743    2.0607    1.8409    1.0328 H   0  0  0  0  0
 744    3.5166    0.8566   -1.4839 H   0  0  0  0  0
 745    4.6189    3.1132   -1.6279 H   0  0  0  0  0
 746    2.8865    3.2090   -1.9746 H   0  0  0  0  0
 747    3.5062    3.7464   -0.4058 H   0  0  0  0  0
 748    5.5340    1.3215   -0.1156 H   0  0  0  0  0
 749    4.5490    1.9879    1.1957 H   0  0  0  0  0
 750    4.4298    0.2665    0.7896 H   0  0  0  0  0
 751    3.1350   -0.7900    1.2292 H   0  0  0  0  0
 752    1.6772   -0.3637    2.1433 H   0  0  0  0  0
 753    1.7004   -1.8331    1.1565 H   0  0  0  0  0
 754  1  2  1  0  0  0
 755  1  8  1  0  0  0
 756  1  9  1  0  0  0
 757  1 10  1  0  0  0
 758  2  3  1  0  0  0
 759  2  7  1  0  0  0
 760  2 11  1  0  0  0
 761  3  4  1  0  0  0
 762  3 12  1  0  0  0
 763  3 13  1  0  0  0
 764  4  5  1  0  0  0
 765  4  6  1  0  0  0
 766  4 14  1  0  0  0
 767  5 15  1  0  0  0
 768  5 16  1  0  0  0
 769  5 17  1  0  0  0
 770  6 18  1  0  0  0
 771  6 19  1  0  0  0
 772  6 20  1  0  0  0
 773  7 21  1  0  0  0
 774  7 22  1  0  0  0
 775  7 23  1  0  0  0
 776M  END
 777$$$$
 778dan020.hin
 779 OpenBabel0803D
 780
 781 23 22  0  0  0  0  0  0  0  0999 V2000
 782    0.0000    0.0000    0.0000 C   0  0  0  0  0
 783    1.5123    0.0000    0.0000 C   0  0  0  0  0
 784    2.1513    1.4011    0.0000 C   0  0  0  0  0
 785    3.6849    1.2213    0.0009 C   0  0  0  0  0
 786    4.4243    2.5417    0.0012 C   0  0  0  0  0
 787    1.7416    2.1737   -1.2530 C   0  0  0  0  0
 788    1.7400    2.1744    1.2521 C   0  0  0  0  0
 789   -0.3909   -1.0258    0.0023 H   0  0  0  0  0
 790   -0.4102    0.5080    0.8834 H   0  0  0  0  0
 791   -0.4098    0.5039   -0.8860 H   0  0  0  0  0
 792    1.8775   -0.5626    0.8835 H   0  0  0  0  0
 793    1.8774   -0.5625   -0.8835 H   0  0  0  0  0
 794    3.9839    0.6240    0.8852 H   0  0  0  0  0
 795    3.9848    0.6245   -0.8834 H   0  0  0  0  0
 796    5.5106    2.4005    0.0012 H   0  0  0  0  0
 797    4.1527    3.1413   -0.8834 H   0  0  0  0  0
 798    4.1526    3.1413    0.8859 H   0  0  0  0  0
 799    2.3802    3.0632   -1.3856 H   0  0  0  0  0
 800    1.8484    1.5573   -2.1554 H   0  0  0  0  0
 801    0.6989    2.5134   -1.2049 H   0  0  0  0  0
 802    2.3803    3.0624    1.3868 H   0  0  0  0  0
 803    0.6983    2.5167    1.2012 H   0  0  0  0  0
 804    1.8430    1.5573    2.1544 H   0  0  0  0  0
 805  1  2  1  0  0  0
 806  1  8  1  0  0  0
 807  1  9  1  0  0  0
 808  1 10  1  0  0  0
 809  2  3  1  0  0  0
 810  2 11  1  0  0  0
 811  2 12  1  0  0  0
 812  3  4  1  0  0  0
 813  3  6  1  0  0  0
 814  3  7  1  0  0  0
 815  4  5  1  0  0  0
 816  4 13  1  0  0  0
 817  4 14  1  0  0  0
 818  5 15  1  0  0  0
 819  5 16  1  0  0  0
 820  5 17  1  0  0  0
 821  6 18  1  0  0  0
 822  6 19  1  0  0  0
 823  6 20  1  0  0  0
 824  7 21  1  0  0  0
 825  7 22  1  0  0  0
 826  7 23  1  0  0  0
 827M  END
 828$$$$
 829dan021.hin
 830 OpenBabel0803D
 831
 832 23 22  0  0  0  0  0  0  0  0999 V2000
 833    0.0000    0.0000    0.0000 C   0  0  0  0  0
 834    1.5130    0.0000    0.0000 C   0  0  0  0  0
 835    2.0863    1.4214    0.0000 C   0  0  0  0  0
 836    3.6043    1.3838    0.2251 C   0  0  0  0  0
 837    4.0565    2.3879    1.2629 C   0  0  0  0  0
 838    1.7217    2.1252   -1.3105 C   0  0  0  0  0
 839    1.9537    3.6176   -1.2643 C   0  0  0  0  0
 840   -0.4026   -1.0123   -0.1248 H   0  0  0  0  0
 841   -0.4070    0.4055    0.9355 H   0  0  0  0  0
 842   -0.3898    0.6230   -0.8228 H   0  0  0  0  0
 843    1.8844   -0.5532    0.8857 H   0  0  0  0  0
 844    1.8932   -0.5547   -0.8809 H   0  0  0  0  0
 845    1.6071    1.9818    0.8419 H   0  0  0  0  0
 846    3.9226    0.3696    0.5418 H   0  0  0  0  0
 847    4.1389    1.5684   -0.7288 H   0  0  0  0  0
 848    5.1461    2.3621    1.3928 H   0  0  0  0  0
 849    3.7835    3.4145    0.9804 H   0  0  0  0  0
 850    3.6054    2.1897    2.2444 H   0  0  0  0  0
 851    2.2874    1.6780   -2.1523 H   0  0  0  0  0
 852    0.6489    1.9181   -1.5316 H   0  0  0  0  0
 853    1.6248    4.0982   -2.1945 H   0  0  0  0  0
 854    1.4054    4.0895   -0.4378 H   0  0  0  0  0
 855    3.0173    3.8594   -1.1289 H   0  0  0  0  0
 856  1  2  1  0  0  0
 857  1  8  1  0  0  0
 858  1  9  1  0  0  0
 859  1 10  1  0  0  0
 860  2  3  1  0  0  0
 861  2 11  1  0  0  0
 862  2 12  1  0  0  0
 863  3  4  1  0  0  0
 864  3  6  1  0  0  0
 865  3 13  1  0  0  0
 866  4  5  1  0  0  0
 867  4 14  1  0  0  0
 868  4 15  1  0  0  0
 869  5 16  1  0  0  0
 870  5 17  1  0  0  0
 871  5 18  1  0  0  0
 872  6  7  1  0  0  0
 873  6 19  1  0  0  0
 874  6 20  1  0  0  0
 875  7 21  1  0  0  0
 876  7 22  1  0  0  0
 877  7 23  1  0  0  0
 878M  END
 879$$$$
 880dan022.hin
 881 OpenBabel0803D
 882
 883 23 22  0  0  0  0  0  0  0  0999 V2000
 884    0.0000    0.0000    0.0000 C   0  0  0  0  0
 885    1.5213    0.0000    0.0000 C   0  0  0  0  0
 886    2.1122    1.4360    0.0000 C   0  0  0  0  0
 887    3.6379    1.3448   -0.0771 C   0  0  0  0  0
 888    1.6066    2.2067   -1.2191 C   0  0  0  0  0
 889    1.7108    2.1809    1.2725 C   0  0  0  0  0
 890    2.0370   -0.8008    1.1867 C   0  0  0  0  0
 891   -0.3968   -0.9987   -0.2210 H   0  0  0  0  0
 892   -0.4098    0.3089    0.9715 H   0  0  0  0  0
 893   -0.3939    0.6978   -0.7573 H   0  0  0  0  0
 894    1.8691   -0.4943   -0.9411 H   0  0  0  0  0
 895    4.1083    2.3286    0.0458 H   0  0  0  0  0
 896    4.0304    0.6777    0.7081 H   0  0  0  0  0
 897    3.9681    0.9386   -1.0426 H   0  0  0  0  0
 898    1.9123    3.2596   -1.1792 H   0  0  0  0  0
 899    1.9938    1.7820   -2.1549 H   0  0  0  0  0
 900    0.5058    2.1733   -1.2766 H   0  0  0  0  0
 901    2.2916    3.1028    1.4042 H   0  0  0  0  0
 902    0.6486    2.4600    1.2563 H   0  0  0  0  0
 903    1.8703    1.5456    2.1597 H   0  0  0  0  0
 904    3.1369   -0.8686    1.1637 H   0  0  0  0  0
 905    1.7681   -0.3071    2.1357 H   0  0  0  0  0
 906    1.6283   -1.8174    1.1990 H   0  0  0  0  0
 907  1  2  1  0  0  0
 908  1  8  1  0  0  0
 909  1  9  1  0  0  0
 910  1 10  1  0  0  0
 911  2  3  1  0  0  0
 912  2  7  1  0  0  0
 913  2 11  1  0  0  0
 914  3  4  1  0  0  0
 915  3  5  1  0  0  0
 916  3  6  1  0  0  0
 917  4 12  1  0  0  0
 918  4 13  1  0  0  0
 919  4 14  1  0  0  0
 920  5 15  1  0  0  0
 921  5 16  1  0  0  0
 922  5 17  1  0  0  0
 923  6 18  1  0  0  0
 924  6 19  1  0  0  0
 925  6 20  1  0  0  0
 926  7 21  1  0  0  0
 927  7 22  1  0  0  0
 928  7 23  1  0  0  0
 929M  END
 930$$$$
 931dan023.hin
 932 OpenBabel0803D
 933
 934 26 25  0  0  0  0  0  0  0  0999 V2000
 935    0.0000    0.0000    0.0000 C   0  0  0  0  0
 936    1.5120    0.0000    0.0000 C   0  0  0  0  0
 937    2.0692    1.4146    0.0000 C   0  0  0  0  0
 938    3.5892    1.4119    0.0024 C   0  0  0  0  0
 939    4.1448    2.8269    0.0033 C   0  0  0  0  0
 940    5.6648    2.8239    0.0082 C   0  0  0  0  0
 941    6.2225    4.2382    0.0101 C   0  0  0  0  0
 942    7.7345    4.2372    0.0168 C   0  0  0  0  0
 943   -0.3985   -1.0225    0.0008 H   0  0  0  0  0
 944   -0.4052    0.5109    0.8836 H   0  0  0  0  0
 945   -0.4050    0.5094   -0.8846 H   0  0  0  0  0
 946    1.8904   -0.5539    0.8822 H   0  0  0  0  0
 947    1.8903   -0.5537   -0.8823 H   0  0  0  0  0
 948    1.6924    1.9682   -0.8836 H   0  0  0  0  0
 949    1.6894    1.9696    0.8814 H   0  0  0  0  0
 950    3.9653    0.8569    0.8855 H   0  0  0  0  0
 951    3.9680    0.8572   -0.8797 H   0  0  0  0  0
 952    3.7702    3.3810   -0.8810 H   0  0  0  0  0
 953    3.7643    3.3823    0.8843 H   0  0  0  0  0
 954    6.0400    2.2691    0.8918 H   0  0  0  0  0
 955    6.0455    2.2694   -0.8732 H   0  0  0  0  0
 956    5.8484    4.7916   -0.8742 H   0  0  0  0  0
 957    5.8403    4.7926    0.8903 H   0  0  0  0  0
 958    8.1339    5.2594    0.0194 H   0  0  0  0  0
 959    8.1353    3.7258    0.9022 H   0  0  0  0  0
 960    8.1429    3.7274   -0.8660 H   0  0  0  0  0
 961  1  2  1  0  0  0
 962  1  9  1  0  0  0
 963  1 10  1  0  0  0
 964  1 11  1  0  0  0
 965  2  3  1  0  0  0
 966  2 12  1  0  0  0
 967  2 13  1  0  0  0
 968  3  4  1  0  0  0
 969  3 14  1  0  0  0
 970  3 15  1  0  0  0
 971  4  5  1  0  0  0
 972  4 16  1  0  0  0
 973  4 17  1  0  0  0
 974  5  6  1  0  0  0
 975  5 18  1  0  0  0
 976  5 19  1  0  0  0
 977  6  7  1  0  0  0
 978  6 20  1  0  0  0
 979  6 21  1  0  0  0
 980  7  8  1  0  0  0
 981  7 22  1  0  0  0
 982  7 23  1  0  0  0
 983  8 24  1  0  0  0
 984  8 25  1  0  0  0
 985  8 26  1  0  0  0
 986M  END
 987$$$$
 988dan024.hin
 989 OpenBabel0803D
 990
 991 26 25  0  0  0  0  0  0  0  0999 V2000
 992    0.0000    0.0000    0.0000 C   0  0  0  0  0
 993    1.5120    0.0000    0.0000 C   0  0  0  0  0
 994    2.0690    1.4146    0.0000 C   0  0  0  0  0
 995    3.5878    1.4117    0.0082 C   0  0  0  0  0
 996    4.1500    2.8248   -0.0085 C   0  0  0  0  0
 997    5.6668    2.8253    0.1906 C   0  0  0  0  0
 998    6.2288    4.2205   -0.0220 C   0  0  0  0  0
 999    6.0239    2.3128    1.5769 C   0  0  0  0  0
1000   -0.3986   -1.0225    0.0013 H   0  0  0  0  0
1001   -0.4053    0.5114    0.8833 H   0  0  0  0  0
1002   -0.4049    0.5089   -0.8849 H   0  0  0  0  0
1003    1.8907   -0.5534    0.8823 H   0  0  0  0  0
1004    1.8902   -0.5540   -0.8821 H   0  0  0  0  0
1005    1.6972    1.9674   -0.8861 H   0  0  0  0  0
1006    1.6851    1.9708    0.8790 H   0  0  0  0  0
1007    3.9739    0.8791    0.9081 H   0  0  0  0  0
1008    3.9720    0.8403   -0.8604 H   0  0  0  0  0
1009    3.8965    3.3213   -0.9663 H   0  0  0  0  0
1010    3.6696    3.4365    0.7820 H   0  0  0  0  0
1011    6.1200    2.1405   -0.5680 H   0  0  0  0  0
1012    7.3163    4.2368    0.1270 H   0  0  0  0  0
1013    6.0288    4.5838   -1.0385 H   0  0  0  0  0
1014    5.7904    4.9446    0.6780 H   0  0  0  0  0
1015    7.1032    2.1491    1.6816 H   0  0  0  0  0
1016    5.7176    3.0171    2.3618 H   0  0  0  0  0
1017    5.5114    1.3563    1.7745 H   0  0  0  0  0
1018  1  2  1  0  0  0
1019  1  9  1  0  0  0
1020  1 10  1  0  0  0
1021  1 11  1  0  0  0
1022  2  3  1  0  0  0
1023  2 12  1  0  0  0
1024  2 13  1  0  0  0
1025  3  4  1  0  0  0
1026  3 14  1  0  0  0
1027  3 15  1  0  0  0
1028  4  5  1  0  0  0
1029  4 16  1  0  0  0
1030  4 17  1  0  0  0
1031  5  6  1  0  0  0
1032  5 18  1  0  0  0
1033  5 19  1  0  0  0
1034  6  7  1  0  0  0
1035  6  8  1  0  0  0
1036  6 20  1  0  0  0
1037  7 21  1  0  0  0
1038  7 22  1  0  0  0
1039  7 23  1  0  0  0
1040  8 24  1  0  0  0
1041  8 25  1  0  0  0
1042  8 26  1  0  0  0
1043M  END
1044$$$$
1045dan025.hin
1046 OpenBabel0803D
1047
1048 26 25  0  0  0  0  0  0  0  0999 V2000
1049    0.0000    0.0000    0.0000 C   0  0  0  0  0
1050    1.5120    0.0000    0.0000 C   0  0  0  0  0
1051    2.0681    1.4137    0.0000 C   0  0  0  0  0
1052    3.5889    1.4178    0.0197 C   0  0  0  0  0
1053    4.1486    2.8317   -0.1602 C   0  0  0  0  0
1054    5.6608    2.8302    0.0709 C   0  0  0  0  0
1055    6.2227    4.2238    0.2430 C   0  0  0  0  0
1056    3.7996    3.3598   -1.5433 C   0  0  0  0  0
1057   -0.3986   -1.0224   -0.0010 H   0  0  0  0  0
1058   -0.4055    0.5095    0.8843 H   0  0  0  0  0
1059   -0.4045    0.5110   -0.8838 H   0  0  0  0  0
1060    1.8913   -0.5526    0.8826 H   0  0  0  0  0
1061    1.8899   -0.5545   -0.8820 H   0  0  0  0  0
1062    1.7142    1.9721   -0.8972 H   0  0  0  0  0
1063    1.6756    1.9759    0.8709 H   0  0  0  0  0
1064    3.9513    0.9838    0.9733 H   0  0  0  0  0
1065    3.9831    0.7569   -0.7787 H   0  0  0  0  0
1066    3.6746    3.4958    0.6048 H   0  0  0  0  0
1067    5.8963    2.2283    0.9720 H   0  0  0  0  0
1068    6.1685    2.3165   -0.7700 H   0  0  0  0  0
1069    7.3032    4.1941    0.4332 H   0  0  0  0  0
1070    6.0655    4.8415   -0.6518 H   0  0  0  0  0
1071    5.7552    4.7488    1.0868 H   0  0  0  0  0
1072    4.0330    4.4274   -1.6428 H   0  0  0  0  0
1073    4.3449    2.8266   -2.3334 H   0  0  0  0  0
1074    2.7223    3.2282   -1.7412 H   0  0  0  0  0
1075  1  2  1  0  0  0
1076  1  9  1  0  0  0
1077  1 10  1  0  0  0
1078  1 11  1  0  0  0
1079  2  3  1  0  0  0
1080  2 12  1  0  0  0
1081  2 13  1  0  0  0
1082  3  4  1  0  0  0
1083  3 14  1  0  0  0
1084  3 15  1  0  0  0
1085  4  5  1  0  0  0
1086  4 16  1  0  0  0
1087  4 17  1  0  0  0
1088  5  6  1  0  0  0
1089  5  8  1  0  0  0
1090  5 18  1  0  0  0
1091  6  7  1  0  0  0
1092  6 19  1  0  0  0
1093  6 20  1  0  0  0
1094  7 21  1  0  0  0
1095  7 22  1  0  0  0
1096  7 23  1  0  0  0
1097  8 24  1  0  0  0
1098  8 25  1  0  0  0
1099  8 26  1  0  0  0
1100M  END
1101$$$$
1102dan026.hin
1103 OpenBabel0803D
1104
1105 26 25  0  0  0  0  0  0  0  0999 V2000
1106    0.0000    0.0000    0.0000 C   0  0  0  0  0
1107    1.5109    0.0000    0.0000 C   0  0  0  0  0
1108    2.0737    1.4134    0.0000 C   0  0  0  0  0
1109    3.5942    1.4137    0.1808 C   0  0  0  0  0
1110    4.1458    2.8243   -0.0306 C   0  0  0  0  0
1111    5.6570    2.8361   -0.2011 C   0  0  0  0  0
1112    6.1765    4.2396   -0.4179 C   0  0  0  0  0
1113    3.9567    0.8768    1.5573 C   0  0  0  0  0
1114   -0.3981   -1.0226   -0.0078 H   0  0  0  0  0
1115   -0.4062    0.5035    0.8875 H   0  0  0  0  0
1116   -0.4038    0.5167   -0.8808 H   0  0  0  0  0
1117    1.9022   -0.5449    0.8894 H   0  0  0  0  0
1118    1.8913   -0.5576   -0.8785 H   0  0  0  0  0
1119    1.8030    1.9221   -0.9470 H   0  0  0  0  0
1120    1.6018    2.0111    0.8060 H   0  0  0  0  0
1121    4.0380    0.7390   -0.5930 H   0  0  0  0  0
1122    3.6749    3.2780   -0.9268 H   0  0  0  0  0
1123    3.8547    3.4751    0.8188 H   0  0  0  0  0
1124    6.1424    2.3867    0.6888 H   0  0  0  0  0
1125    5.9459    2.1901   -1.0541 H   0  0  0  0  0
1126    7.2673    4.2464   -0.5381 H   0  0  0  0  0
1127    5.7445    4.6972   -1.3179 H   0  0  0  0  0
1128    5.9354    4.8962    0.4287 H   0  0  0  0  0
1129    5.0358    0.7033    1.6559 H   0  0  0  0  0
1130    3.6582    1.5684    2.3564 H   0  0  0  0  0
1131    3.4407   -0.0808    1.7413 H   0  0  0  0  0
1132  1  2  1  0  0  0
1133  1  9  1  0  0  0
1134  1 10  1  0  0  0
1135  1 11  1  0  0  0
1136  2  3  1  0  0  0
1137  2 12  1  0  0  0
1138  2 13  1  0  0  0
1139  3  4  1  0  0  0
1140  3 14  1  0  0  0
1141  3 15  1  0  0  0
1142  4  5  1  0  0  0
1143  4  8  1  0  0  0
1144  4 16  1  0  0  0
1145  5  6  1  0  0  0
1146  5 17  1  0  0  0
1147  5 18  1  0  0  0
1148  6  7  1  0  0  0
1149  6 19  1  0  0  0
1150  6 20  1  0  0  0
1151  7 21  1  0  0  0
1152  7 22  1  0  0  0
1153  7 23  1  0  0  0
1154  8 24  1  0  0  0
1155  8 25  1  0  0  0
1156  8 26  1  0  0  0
1157M  END
1158$$$$
1159dan027.hin
1160 OpenBabel0803D
1161
1162 26 25  0  0  0  0  0  0  0  0999 V2000
1163    0.0000    0.0000    0.0000 C   0  0  0  0  0
1164    1.5120    0.0000    0.0000 C   0  0  0  0  0
1165    2.0672    1.4125    0.0000 C   0  0  0  0  0
1166    3.5884    1.4219   -0.0048 C   0  0  0  0  0
1167    4.1624    2.8501   -0.0021 C   0  0  0  0  0
1168    5.6881    2.7764   -0.0077 C   0  0  0  0  0
1169    3.6908    3.5959   -1.2492 C   0  0  0  0  0
1170    3.6997    3.5877    1.2532 C   0  0  0  0  0
1171   -0.3987   -1.0224    0.0031 H   0  0  0  0  0
1172   -0.4050    0.5131    0.8824 H   0  0  0  0  0
1173   -0.4048    0.5076   -0.8857 H   0  0  0  0  0
1174    1.8911   -0.5533    0.8822 H   0  0  0  0  0
1175    1.8907   -0.5531   -0.8825 H   0  0  0  0  0
1176    1.6962    1.9845   -0.8810 H   0  0  0  0  0
1177    1.7015    1.9822    0.8848 H   0  0  0  0  0
1178    3.9722    0.8696    0.8765 H   0  0  0  0  0
1179    3.9664    0.8757   -0.8923 H   0  0  0  0  0
1180    6.1316    3.7807   -0.0037 H   0  0  0  0  0
1181    6.0689    2.2427    0.8733 H   0  0  0  0  0
1182    6.0627    2.2527   -0.8974 H   0  0  0  0  0
1183    3.9543    4.6602   -1.2102 H   0  0  0  0  0
1184    4.1389    3.1756   -2.1593 H   0  0  0  0  0
1185    2.5963    3.5172   -1.3575 H   0  0  0  0  0
1186    3.9634    4.6521    1.2197 H   0  0  0  0  0
1187    2.6059    3.5086    1.3685 H   0  0  0  0  0
1188    4.1540    3.1608    2.1572 H   0  0  0  0  0
1189  1  2  1  0  0  0
1190  1  9  1  0  0  0
1191  1 10  1  0  0  0
1192  1 11  1  0  0  0
1193  2  3  1  0  0  0
1194  2 12  1  0  0  0
1195  2 13  1  0  0  0
1196  3  4  1  0  0  0
1197  3 14  1  0  0  0
1198  3 15  1  0  0  0
1199  4  5  1  0  0  0
1200  4 16  1  0  0  0
1201  4 17  1  0  0  0
1202  5  6  1  0  0  0
1203  5  7  1  0  0  0
1204  5  8  1  0  0  0
1205  6 18  1  0  0  0
1206  6 19  1  0  0  0
1207  6 20  1  0  0  0
1208  7 21  1  0  0  0
1209  7 22  1  0  0  0
1210  7 23  1  0  0  0
1211  8 24  1  0  0  0
1212  8 25  1  0  0  0
1213  8 26  1  0  0  0
1214M  END
1215$$$$
1216dan028.hin
1217 OpenBabel0803D
1218
1219 26 25  0  0  0  0  0  0  0  0999 V2000
1220    0.0000    0.0000    0.0000 C   0  0  0  0  0
1221    1.5109    0.0000    0.0000 C   0  0  0  0  0
1222    2.0734    1.4124    0.0000 C   0  0  0  0  0
1223    3.5984    1.4124    0.1557 C   0  0  0  0  0
1224    4.1666    2.8176   -0.1201 C   0  0  0  0  0
1225    5.6662    2.8794    0.1257 C   0  0  0  0  0
1226    3.8766    3.2414   -1.5535 C   0  0  0  0  0
1227    3.9622    0.9154    1.5472 C   0  0  0  0  0
1228   -0.3981   -1.0226   -0.0049 H   0  0  0  0  0
1229   -0.4063    0.5060    0.8860 H   0  0  0  0  0
1230   -0.4037    0.5143   -0.8823 H   0  0  0  0  0
1231    1.9024   -0.5419    0.8912 H   0  0  0  0  0
1232    1.8913   -0.5589   -0.8777 H   0  0  0  0  0
1233    1.7951    1.9361   -0.9421 H   0  0  0  0  0
1234    1.6137    2.0053    0.8165 H   0  0  0  0  0
1235    4.0326    0.7095   -0.5983 H   0  0  0  0  0
1236    3.6630    3.5357    0.5734 H   0  0  0  0  0
1237    6.0749    3.8539   -0.1732 H   0  0  0  0  0
1238    5.9114    2.7349    1.1864 H   0  0  0  0  0
1239    6.2018    2.1085   -0.4445 H   0  0  0  0  0
1240    4.1519    4.2896   -1.7248 H   0  0  0  0  0
1241    4.4335    2.6306   -2.2764 H   0  0  0  0  0
1242    2.8051    3.1321   -1.7885 H   0  0  0  0  0
1243    5.0283    0.6682    1.6295 H   0  0  0  0  0
1244    3.7329    1.6611    2.3198 H   0  0  0  0  0
1245    3.3886    0.0032    1.7854 H   0  0  0  0  0
1246  1  2  1  0  0  0
1247  1  9  1  0  0  0
1248  1 10  1  0  0  0
1249  1 11  1  0  0  0
1250  2  3  1  0  0  0
1251  2 12  1  0  0  0
1252  2 13  1  0  0  0
1253  3  4  1  0  0  0
1254  3 14  1  0  0  0
1255  3 15  1  0  0  0
1256  4  5  1  0  0  0
1257  4  8  1  0  0  0
1258  4 16  1  0  0  0
1259  5  6  1  0  0  0
1260  5  7  1  0  0  0
1261  5 17  1  0  0  0
1262  6 18  1  0  0  0
1263  6 19  1  0  0  0
1264  6 20  1  0  0  0
1265  7 21  1  0  0  0
1266  7 22  1  0  0  0
1267  7 23  1  0  0  0
1268  8 24  1  0  0  0
1269  8 25  1  0  0  0
1270  8 26  1  0  0  0
1271M  END
1272$$$$
1273dan029.hin
1274 OpenBabel0803D
1275
1276 26 25  0  0  0  0  0  0  0  0999 V2000
1277    0.0000    0.0000    0.0000 C   0  0  0  0  0
1278    1.5133    0.0000    0.0000 C   0  0  0  0  0
1279    2.0766    1.4245    0.0000 C   0  0  0  0  0
1280    3.5993    1.4099    0.1882 C   0  0  0  0  0
1281    4.0852    2.3729    1.2745 C   0  0  0  0  0
1282    5.5432    2.0882    1.6032 C   0  0  0  0  0
1283    3.9242    3.8240    0.8520 C   0  0  0  0  0
1284    1.6904    2.1346   -1.2893 C   0  0  0  0  0
1285   -0.4036   -1.0068   -0.1603 H   0  0  0  0  0
1286   -0.4067    0.3725    0.9492 H   0  0  0  0  0
1287   -0.3885    0.6533   -0.7997 H   0  0  0  0  0
1288    1.8876   -0.5539    0.8838 H   0  0  0  0  0
1289    1.8939   -0.5510   -0.8830 H   0  0  0  0  0
1290    1.6057    1.9733    0.8542 H   0  0  0  0  0
1291    3.9373    0.3857    0.4508 H   0  0  0  0  0
1292    4.1105    1.6452   -0.7678 H   0  0  0  0  0
1293    3.4783    2.2033    2.1982 H   0  0  0  0  0
1294    5.9156    2.7661    2.3825 H   0  0  0  0  0
1295    5.6823    1.0618    1.9673 H   0  0  0  0  0
1296    6.1875    2.2149    0.7227 H   0  0  0  0  0
1297    4.2947    4.5079    1.6268 H   0  0  0  0  0
1298    4.4785    4.0405   -0.0714 H   0  0  0  0  0
1299    2.8705    4.0748    0.6680 H   0  0  0  0  0
1300    1.9572    3.1988   -1.2591 H   0  0  0  0  0
1301    2.1853    1.6934   -2.1650 H   0  0  0  0  0
1302    0.6029    2.0574   -1.4564 H   0  0  0  0  0
1303  1  2  1  0  0  0
1304  1  9  1  0  0  0
1305  1 10  1  0  0  0
1306  1 11  1  0  0  0
1307  2  3  1  0  0  0
1308  2 12  1  0  0  0
1309  2 13  1  0  0  0
1310  3  4  1  0  0  0
1311  3  8  1  0  0  0
1312  3 14  1  0  0  0
1313  4  5  1  0  0  0
1314  4 15  1  0  0  0
1315  4 16  1  0  0  0
1316  5  6  1  0  0  0
1317  5  7  1  0  0  0
1318  5 17  1  0  0  0
1319  6 18  1  0  0  0
1320  6 19  1  0  0  0
1321  6 20  1  0  0  0
1322  7 21  1  0  0  0
1323  7 22  1  0  0  0
1324  7 23  1  0  0  0
1325  8 24  1  0  0  0
1326  8 25  1  0  0  0
1327  8 26  1  0  0  0
1328M  END
1329$$$$
1330dan030.hin
1331 OpenBabel0803D
1332
1333 26 25  0  0  0  0  0  0  0  0999 V2000
1334    0.0000    0.0000    0.0000 C   0  0  0  0  0
1335    1.5209    0.0000    0.0000 C   0  0  0  0  0
1336    2.0441    1.4361    0.0000 C   0  0  0  0  0
1337    3.5168    1.5258   -0.3707 C   0  0  0  0  0
1338    3.9574    2.9794   -0.5549 C   0  0  0  0  0
1339    5.4648    3.0584   -0.7260 C   0  0  0  0  0
1340    3.2532    3.6049   -1.7485 C   0  0  0  0  0
1341    2.0407   -0.7780    1.1981 C   0  0  0  0  0
1342   -0.3982   -1.0231    0.0081 H   0  0  0  0  0
1343   -0.4037    0.5165    0.8812 H   0  0  0  0  0
1344   -0.4030    0.5028   -0.8889 H   0  0  0  0  0
1345    1.8725   -0.5074   -0.9321 H   0  0  0  0  0
1346    1.4623    2.0537   -0.7236 H   0  0  0  0  0
1347    1.8714    1.9008    0.9915 H   0  0  0  0  0
1348    4.1374    1.0432    0.4114 H   0  0  0  0  0
1349    3.7135    0.9562   -1.3019 H   0  0  0  0  0
1350    3.6739    3.5508    0.3633 H   0  0  0  0  0
1351    5.7944    4.0963   -0.8642 H   0  0  0  0  0
1352    5.9907    2.6584    0.1508 H   0  0  0  0  0
1353    5.8033    2.4870   -1.6009 H   0  0  0  0  0
1354    3.4286    4.6863   -1.7999 H   0  0  0  0  0
1355    3.5946    3.1682   -2.6964 H   0  0  0  0  0
1356    2.1651    3.4370   -1.6817 H   0  0  0  0  0
1357    3.1386   -0.8079    1.2126 H   0  0  0  0  0
1358    1.7121   -0.3295    2.1455 H   0  0  0  0  0
1359    1.6829   -1.8157    1.1846 H   0  0  0  0  0
1360  1  2  1  0  0  0
1361  1  9  1  0  0  0
1362  1 10  1  0  0  0
1363  1 11  1  0  0  0
1364  2  3  1  0  0  0
1365  2  8  1  0  0  0
1366  2 12  1  0  0  0
1367  3  4  1  0  0  0
1368  3 13  1  0  0  0
1369  3 14  1  0  0  0
1370  4  5  1  0  0  0
1371  4 15  1  0  0  0
1372  4 16  1  0  0  0
1373  5  6  1  0  0  0
1374  5  7  1  0  0  0
1375  5 17  1  0  0  0
1376  6 18  1  0  0  0
1377  6 19  1  0  0  0
1378  6 20  1  0  0  0
1379  7 21  1  0  0  0
1380  7 22  1  0  0  0
1381  7 23  1  0  0  0
1382  8 24  1  0  0  0
1383  8 25  1  0  0  0
1384  8 26  1  0  0  0
1385M  END
1386$$$$
1387dan031.hin
1388 OpenBabel0803D
1389
1390 26 25  0  0  0  0  0  0  0  0999 V2000
1391    0.0000    0.0000    0.0000 C   0  0  0  0  0
1392    1.5096    0.0000    0.0000 C   0  0  0  0  0
1393    2.0757    1.4124    0.0000 C   0  0  0  0  0
1394    3.6192    1.4365   -0.0016 C   0  0  0  0  0
1395    4.0644    2.9112    0.0009 C   0  0  0  0  0
1396    5.5627    3.1155   -0.0070 C   0  0  0  0  0
1397    4.1333    0.7244    1.2487 C   0  0  0  0  0
1398    4.1304    0.7291   -1.2558 C   0  0  0  0  0
1399   -0.3973   -1.0229    0.0031 H   0  0  0  0  0
1400   -0.4051    0.5127    0.8826 H   0  0  0  0  0
1401   -0.4048    0.5073   -0.8859 H   0  0  0  0  0
1402    1.9061   -0.5510    0.8827 H   0  0  0  0  0
1403    1.9057   -0.5504   -0.8833 H   0  0  0  0  0
1404    1.6977    1.9645   -0.8841 H   0  0  0  0  0
1405    1.6993    1.9642    0.8850 H   0  0  0  0  0
1406    3.6219    3.4224   -0.8784 H   0  0  0  0  0
1407    3.6315    3.4162    0.8886 H   0  0  0  0  0
1408    5.8116    4.1847    0.0049 H   0  0  0  0  0
1409    6.0438    2.6583    0.8684 H   0  0  0  0  0
1410    6.0310    2.6812   -0.9008 H   0  0  0  0  0
1411    5.2143    0.5390    1.2017 H   0  0  0  0  0
1412    3.9365    1.3144    2.1537 H   0  0  0  0  0
1413    3.6303   -0.2488    1.3759 H   0  0  0  0  0
1414    5.2108    0.5402   -1.2101 H   0  0  0  0  0
1415    3.6244   -0.2421   -1.3873 H   0  0  0  0  0
1416    3.9351    1.3239   -2.1578 H   0  0  0  0  0
1417  1  2  1  0  0  0
1418  1  9  1  0  0  0
1419  1 10  1  0  0  0
1420  1 11  1  0  0  0
1421  2  3  1  0  0  0
1422  2 12  1  0  0  0
1423  2 13  1  0  0  0
1424  3  4  1  0  0  0
1425  3 14  1  0  0  0
1426  3 15  1  0  0  0
1427  4  5  1  0  0  0
1428  4  7  1  0  0  0
1429  4  8  1  0  0  0
1430  5  6  1  0  0  0
1431  5 16  1  0  0  0
1432  5 17  1  0  0  0
1433  6 18  1  0  0  0
1434  6 19  1  0  0  0
1435  6 20  1  0  0  0
1436  7 21  1  0  0  0
1437  7 22  1  0  0  0
1438  7 23  1  0  0  0
1439  8 24  1  0  0  0
1440  8 25  1  0  0  0
1441  8 26  1  0  0  0
1442M  END
1443$$$$
1444dan032.hin
1445 OpenBabel0803D
1446
1447 26 25  0  0  0  0  0  0  0  0999 V2000
1448    0.0000    0.0000    0.0000 C   0  0  0  0  0
1449    1.5119    0.0000    0.0000 C   0  0  0  0  0
1450    2.0703    1.4251    0.0000 C   0  0  0  0  0
1451    3.5834    1.4592    0.2793 C   0  0  0  0  0
1452    4.3866    0.7042   -0.7825 C   0  0  0  0  0
1453    5.8680    0.9767   -0.6506 C   0  0  0  0  0
1454    3.8881    0.9084    1.6638 C   0  0  0  0  0
1455    1.7495    2.1186   -1.3151 C   0  0  0  0  0
1456   -0.3816    0.6362   -0.8167 H   0  0  0  0  0
1457   -0.4093    0.3933    0.9395 H   0  0  0  0  0
1458   -0.4040   -1.0096   -0.1400 H   0  0  0  0  0
1459    1.8889   -0.5536   -0.8834 H   0  0  0  0  0
1460    1.9098   -0.5421    0.8874 H   0  0  0  0  0
1461    1.5690    1.9860    0.8285 H   0  0  0  0  0
1462    3.9010    2.5317    0.2462 H   0  0  0  0  0
1463    4.0163    0.9986   -1.7904 H   0  0  0  0  0
1464    4.1945   -0.3844   -0.6987 H   0  0  0  0  0
1465    6.1991    0.7931    0.3859 H   0  0  0  0  0
1466    6.1157    2.0181   -0.8936 H   0  0  0  0  0
1467    6.4578    0.3328   -1.3137 H   0  0  0  0  0
1468    3.3925   -0.0649    1.8171 H   0  0  0  0  0
1469    3.5425    1.5834    2.4558 H   0  0  0  0  0
1470    4.9738    0.7621    1.7869 H   0  0  0  0  0
1471    0.7013    1.9317   -1.6005 H   0  0  0  0  0
1472    2.3965    1.7429   -2.1255 H   0  0  0  0  0
1473    1.8974    3.2032   -1.2502 H   0  0  0  0  0
1474  1  2  1  0  0  0
1475  1  9  1  0  0  0
1476  1 10  1  0  0  0
1477  1 11  1  0  0  0
1478  2  3  1  0  0  0
1479  2 12  1  0  0  0
1480  2 13  1  0  0  0
1481  3  4  1  0  0  0
1482  3  8  1  0  0  0
1483  3 14  1  0  0  0
1484  4  5  1  0  0  0
1485  4  7  1  0  0  0
1486  4 15  1  0  0  0
1487  5  6  1  0  0  0
1488  5 16  1  0  0  0
1489  5 17  1  0  0  0
1490  6 18  1  0  0  0
1491  6 19  1  0  0  0
1492  6 20  1  0  0  0
1493  7 21  1  0  0  0
1494  7 22  1  0  0  0
1495  7 23  1  0  0  0
1496  8 24  1  0  0  0
1497  8 25  1  0  0  0
1498  8 26  1  0  0  0
1499M  END
1500$$$$
1501dan033.hin
1502 OpenBabel0803D
1503
1504 26 25  0  0  0  0  0  0  0  0999 V2000
1505    0.0000    0.0000    0.0000 C   0  0  0  0  0
1506    1.5111    0.0000    0.0000 C   0  0  0  0  0
1507    2.0723    1.4135    0.0000 C   0  0  0  0  0
1508    3.6026    1.4276    0.0948 C   0  0  0  0  0
1509    4.1088    2.8563   -0.1360 C   0  0  0  0  0
1510    5.5287    2.9035   -0.6543 C   0  0  0  0  0
1511    4.0473    0.8684    1.4512 C   0  0  0  0  0
1512    5.4513    0.3088    1.4331 C   0  0  0  0  0
1513   -0.3980   -1.0227   -0.0010 H   0  0  0  0  0
1514   -0.4060    0.5093    0.8842 H   0  0  0  0  0
1515   -0.4043    0.5108   -0.8841 H   0  0  0  0  0
1516    1.8997   -0.5444    0.8905 H   0  0  0  0  0
1517    1.8917   -0.5580   -0.8782 H   0  0  0  0  0
1518    1.7485    1.9388   -0.9215 H   0  0  0  0  0
1519    1.6412    1.9926    0.8415 H   0  0  0  0  0
1520    4.0075    0.7693   -0.7139 H   0  0  0  0  0
1521    3.4465    3.3717   -0.8619 H   0  0  0  0  0
1522    4.0278    3.4422    0.8016 H   0  0  0  0  0
1523    5.8685    3.9383   -0.7880 H   0  0  0  0  0
1524    6.2304    2.4116    0.0393 H   0  0  0  0  0
1525    5.6245    2.3980   -1.6244 H   0  0  0  0  0
1526    3.9582    1.6498    2.2320 H   0  0  0  0  0
1527    3.3391    0.0627    1.7544 H   0  0  0  0  0
1528    5.7432   -0.0630    2.4233 H   0  0  0  0  0
1529    5.5467   -0.5265    0.7267 H   0  0  0  0  0
1530    6.1887    1.0722    1.1351 H   0  0  0  0  0
1531  1  2  1  0  0  0
1532  1  9  1  0  0  0
1533  1 10  1  0  0  0
1534  1 11  1  0  0  0
1535  2  3  1  0  0  0
1536  2 12  1  0  0  0
1537  2 13  1  0  0  0
1538  3  4  1  0  0  0
1539  3 14  1  0  0  0
1540  3 15  1  0  0  0
1541  4  5  1  0  0  0
1542  4  7  1  0  0  0
1543  4 16  1  0  0  0
1544  5  6  1  0  0  0
1545  5 17  1  0  0  0
1546  5 18  1  0  0  0
1547  6 19  1  0  0  0
1548  6 20  1  0  0  0
1549  6 21  1  0  0  0
1550  7  8  1  0  0  0
1551  7 22  1  0  0  0
1552  7 23  1  0  0  0
1553  8 24  1  0  0  0
1554  8 25  1  0  0  0
1555  8 26  1  0  0  0
1556M  END
1557$$$$
1558dan034.hin
1559 OpenBabel0803D
1560
1561 26 25  0  0  0  0  0  0  0  0999 V2000
1562    0.0000    0.0000    0.0000 C   0  0  0  0  0
1563    1.5124    0.0000    0.0000 C   0  0  0  0  0
1564    2.0939    1.4181    0.0000 C   0  0  0  0  0
1565    3.5411    1.4650    0.5638 C   0  0  0  0  0
1566    4.0245    2.9170    0.5955 C   0  0  0  0  0
1567    3.5535    0.9277    1.9965 C   0  0  0  0  0
1568    4.5038    0.6377   -0.2850 C   0  0  0  0  0
1569    2.0059    2.0194   -1.3963 C   0  0  0  0  0
1570   -0.3950   -1.0240   -0.0006 H   0  0  0  0  0
1571   -0.4075    0.5077    0.8847 H   0  0  0  0  0
1572   -0.4088    0.5085   -0.8839 H   0  0  0  0  0
1573    1.8830   -0.5518    0.8934 H   0  0  0  0  0
1574    1.8898   -0.5680   -0.8742 H   0  0  0  0  0
1575    1.4723    2.0476    0.6867 H   0  0  0  0  0
1576    5.0747    2.9828    0.9072 H   0  0  0  0  0
1577    3.9362    3.3840   -0.3991 H   0  0  0  0  0
1578    3.4323    3.5230    1.2941 H   0  0  0  0  0
1579    4.5706    0.9119    2.4086 H   0  0  0  0  0
1580    2.9343    1.5425    2.6631 H   0  0  0  0  0
1581    3.1579   -0.1004    2.0360 H   0  0  0  0  0
1582    5.5227    0.6692    0.1242 H   0  0  0  0  0
1583    4.1985   -0.4165   -0.3268 H   0  0  0  0  0
1584    4.5525    1.0103   -1.3170 H   0  0  0  0  0
1585    2.5333    2.9863   -1.4446 H   0  0  0  0  0
1586    2.4549    1.3667   -2.1578 H   0  0  0  0  0
1587    0.9621    2.1921   -1.6893 H   0  0  0  0  0
1588  1  2  1  0  0  0
1589  1  9  1  0  0  0
1590  1 10  1  0  0  0
1591  1 11  1  0  0  0
1592  2  3  1  0  0  0
1593  2 12  1  0  0  0
1594  2 13  1  0  0  0
1595  3  4  1  0  0  0
1596  3  8  1  0  0  0
1597  3 14  1  0  0  0
1598  4  5  1  0  0  0
1599  4  6  1  0  0  0
1600  4  7  1  0  0  0
1601  5 15  1  0  0  0
1602  5 16  1  0  0  0
1603  5 17  1  0  0  0
1604  6 18  1  0  0  0
1605  6 19  1  0  0  0
1606  6 20  1  0  0  0
1607  7 21  1  0  0  0
1608  7 22  1  0  0  0
1609  7 23  1  0  0  0
1610  8 24  1  0  0  0
1611  8 25  1  0  0  0
1612  8 26  1  0  0  0
1613M  END
1614$$$$
1615dan035.hin
1616 OpenBabel0803D
1617
1618 26 25  0  0  0  0  0  0  0  0999 V2000
1619    0.0000    0.0000    0.0000 C   0  0  0  0  0
1620    1.5212    0.0000    0.0000 C   0  0  0  0  0
1621    2.0518    1.4388    0.0000 C   0  0  0  0  0
1622    3.3844    1.6526   -0.7438 C   0  0  0  0  0
1623    3.6701    3.1557   -0.7956 C   0  0  0  0  0
1624    4.5343    0.9659   -0.0113 C   0  0  0  0  0
1625    3.2933    1.1203   -2.1720 C   0  0  0  0  0
1626    2.0344   -0.7924    1.1913 C   0  0  0  0  0
1627   -0.3977   -1.0232    0.0205 H   0  0  0  0  0
1628   -0.4038    0.5266    0.8751 H   0  0  0  0  0
1629   -0.4044    0.4906   -0.8952 H   0  0  0  0  0
1630    1.8745   -0.5059   -0.9390 H   0  0  0  0  0
1631    1.2936    2.1026   -0.4661 H   0  0  0  0  0
1632    2.1599    1.7987    1.0434 H   0  0  0  0  0
1633    4.6260    3.3596   -1.2961 H   0  0  0  0  0
1634    2.8889    3.6975   -1.3456 H   0  0  0  0  0
1635    3.7255    3.5890    0.2119 H   0  0  0  0  0
1636    5.4767    1.0582   -0.5667 H   0  0  0  0  0
1637    4.6912    1.4045    0.9834 H   0  0  0  0  0
1638    4.3332   -0.1079    0.1349 H   0  0  0  0  0
1639    4.2500    1.2176   -2.7007 H   0  0  0  0  0
1640    3.0114    0.0546   -2.1760 H   0  0  0  0  0
1641    2.5350    1.6618   -2.7527 H   0  0  0  0  0
1642    3.1356   -0.8419    1.1851 H   0  0  0  0  0
1643    1.7281   -0.3417    2.1446 H   0  0  0  0  0
1644    1.6563   -1.8228    1.1781 H   0  0  0  0  0
1645  1  2  1  0  0  0
1646  1  9  1  0  0  0
1647  1 10  1  0  0  0
1648  1 11  1  0  0  0
1649  2  3  1  0  0  0
1650  2  8  1  0  0  0
1651  2 12  1  0  0  0
1652  3  4  1  0  0  0
1653  3 13  1  0  0  0
1654  3 14  1  0  0  0
1655  4  5  1  0  0  0
1656  4  6  1  0  0  0
1657  4  7  1  0  0  0
1658  5 15  1  0  0  0
1659  5 16  1  0  0  0
1660  5 17  1  0  0  0
1661  6 18  1  0  0  0
1662  6 19  1  0  0  0
1663  6 20  1  0  0  0
1664  7 21  1  0  0  0
1665  7 22  1  0  0  0
1666  7 23  1  0  0  0
1667  8 24  1  0  0  0
1668  8 25  1  0  0  0
1669  8 26  1  0  0  0
1670M  END
1671$$$$
1672dan036.hin
1673 OpenBabel0803D
1674
1675 26 25  0  0  0  0  0  0  0  0999 V2000
1676    0.0000    0.0000    0.0000 C   0  0  0  0  0
1677    1.5121    0.0000    0.0000 C   0  0  0  0  0
1678    2.1437    1.4081    0.0000 C   0  0  0  0  0
1679    3.6895    1.2482    0.0765 C   0  0  0  0  0
1680    4.4144    2.5842    0.0072 C   0  0  0  0  0
1681    4.1066    0.5111    1.3412 C   0  0  0  0  0
1682    1.7713    2.1275   -1.2967 C   0  0  0  0  0
1683    1.6387    2.2149    1.1958 C   0  0  0  0  0
1684   -0.3967   -1.0045    0.1915 H   0  0  0  0  0
1685   -0.3979    0.6737    0.7771 H   0  0  0  0  0
1686   -0.4097    0.3374   -0.9615 H   0  0  0  0  0
1687    1.8926   -0.5551    0.8874 H   0  0  0  0  0
1688    1.8824   -0.5652   -0.8793 H   0  0  0  0  0
1689    3.9998    0.6400   -0.8095 H   0  0  0  0  0
1690    5.4941    2.4425   -0.1269 H   0  0  0  0  0
1691    4.0452    3.1919   -0.8350 H   0  0  0  0  0
1692    4.2707    3.1749    0.9223 H   0  0  0  0  0
1693    5.1940    0.3882    1.3989 H   0  0  0  0  0
1694    3.7719    1.0588    2.2383 H   0  0  0  0  0
1695    3.6424   -0.4874    1.3854 H   0  0  0  0  0
1696    2.3588    3.0525   -1.4188 H   0  0  0  0  0
1697    1.9651    1.4991   -2.1761 H   0  0  0  0  0
1698    0.7086    2.4023   -1.3112 H   0  0  0  0  0
1699    1.8349    3.2876    1.0720 H   0  0  0  0  0
1700    0.5530    2.0845    1.3331 H   0  0  0  0  0
1701    2.1381    1.8908    2.1241 H   0  0  0  0  0
1702  1  2  1  0  0  0
1703  1  9  1  0  0  0
1704  1 10  1  0  0  0
1705  1 11  1  0  0  0
1706  2  3  1  0  0  0
1707  2 12  1  0  0  0
1708  2 13  1  0  0  0
1709  3  4  1  0  0  0
1710  3  7  1  0  0  0
1711  3  8  1  0  0  0
1712  4  5  1  0  0  0
1713  4  6  1  0  0  0
1714  4 14  1  0  0  0
1715  5 15  1  0  0  0
1716  5 16  1  0  0  0
1717  5 17  1  0  0  0
1718  6 18  1  0  0  0
1719  6 19  1  0  0  0
1720  6 20  1  0  0  0
1721  7 21  1  0  0  0
1722  7 22  1  0  0  0
1723  7 23  1  0  0  0
1724  8 24  1  0  0  0
1725  8 25  1  0  0  0
1726  8 26  1  0  0  0
1727M  END
1728$$$$
1729dan037.hin
1730 OpenBabel0803D
1731
1732 26 25  0  0  0  0  0  0  0  0999 V2000
1733    0.0000    0.0000    0.0000 C   0  0  0  0  0
1734    1.5249    0.0000    0.0000 C   0  0  0  0  0
1735    2.0898    1.4422    0.0000 C   0  0  0  0  0
1736    3.6398    1.4542   -0.0256 C   0  0  0  0  0
1737    4.2419    2.6330   -0.7787 C   0  0  0  0  0
1738    4.2095    1.4641    1.3889 C   0  0  0  0  0
1739    1.5001    2.2084   -1.1782 C   0  0  0  0  0
1740    1.9862   -0.8224    1.1937 C   0  0  0  0  0
1741   -0.3957   -1.0203   -0.0832 H   0  0  0  0  0
1742   -0.4039    0.4371    0.9233 H   0  0  0  0  0
1743   -0.4073    0.5843   -0.8402 H   0  0  0  0  0
1744    1.8788   -0.5003   -0.9354 H   0  0  0  0  0
1745    1.7483    1.9428    0.9400 H   0  0  0  0  0
1746    3.9836    0.5220   -0.5398 H   0  0  0  0  0
1747    5.3391    2.6147   -0.7174 H   0  0  0  0  0
1748    3.9840    2.6207   -1.8462 H   0  0  0  0  0
1749    3.9110    3.5957   -0.3658 H   0  0  0  0  0
1750    5.3075    1.4840    1.3771 H   0  0  0  0  0
1751    3.8722    2.3410    1.9576 H   0  0  0  0  0
1752    3.9081    0.5659    1.9503 H   0  0  0  0  0
1753    1.7321    3.2803   -1.1262 H   0  0  0  0  0
1754    1.8726    1.8296   -2.1399 H   0  0  0  0  0
1755    0.4015    2.1192   -1.2034 H   0  0  0  0  0
1756    3.0835   -0.8440    1.2851 H   0  0  0  0  0
1757    1.5931   -0.4185    2.1374 H   0  0  0  0  0
1758    1.6414   -1.8615    1.1127 H   0  0  0  0  0
1759  1  2  1  0  0  0
1760  1  9  1  0  0  0
1761  1 10  1  0  0  0
1762  1 11  1  0  0  0
1763  2  3  1  0  0  0
1764  2  8  1  0  0  0
1765  2 12  1  0  0  0
1766  3  4  1  0  0  0
1767  3  7  1  0  0  0
1768  3 13  1  0  0  0
1769  4  5  1  0  0  0
1770  4  6  1  0  0  0
1771  4 14  1  0  0  0
1772  5 15  1  0  0  0
1773  5 16  1  0  0  0
1774  5 17  1  0  0  0
1775  6 18  1  0  0  0
1776  6 19  1  0  0  0
1777  6 20  1  0  0  0
1778  7 21  1  0  0  0
1779  7 22  1  0  0  0
1780  7 23  1  0  0  0
1781  8 24  1  0  0  0
1782  8 25  1  0  0  0
1783  8 26  1  0  0  0
1784M  END
1785$$$$
1786dan038.hin
1787 OpenBabel0803D
1788
1789 26 25  0  0  0  0  0  0  0  0999 V2000
1790    0.0000    0.0000    0.0000 C   0  0  0  0  0
1791    1.5121    0.0000    0.0000 C   0  0  0  0  0
1792    2.1071    1.4160    0.0000 C   0  0  0  0  0
1793    3.4931    1.4261    0.6830 C   0  0  0  0  0
1794    4.0955    2.8242    0.7075 C   0  0  0  0  0
1795    3.4174    0.9094    2.1132 C   0  0  0  0  0
1796    2.2076    1.9500   -1.4365 C   0  0  0  0  0
1797    0.9191    2.5759   -1.9206 C   0  0  0  0  0
1798   -0.3970   -1.0225   -0.0313 H   0  0  0  0  0
1799   -0.4066    0.4833    0.8983 H   0  0  0  0  0
1800   -0.4057    0.5394   -0.8718 H   0  0  0  0  0
1801    1.8705   -0.5615    0.8918 H   0  0  0  0  0
1802    1.8917   -0.5689   -0.8728 H   0  0  0  0  0
1803    1.4374    2.0900    0.5904 H   0  0  0  0  0
1804    4.1672    0.7559    0.0955 H   0  0  0  0  0
1805    5.1007    2.8156    1.1479 H   0  0  0  0  0
1806    4.1812    3.2432   -0.3079 H   0  0  0  0  0
1807    3.4815    3.5187    1.2965 H   0  0  0  0  0
1808    4.4124    0.8722    2.5748 H   0  0  0  0  0
1809    2.7843    1.5500    2.7416 H   0  0  0  0  0
1810    2.9952   -0.1074    2.1521 H   0  0  0  0  0
1811    3.0211    2.7070   -1.5027 H   0  0  0  0  0
1812    2.5143    1.1338   -2.1215 H   0  0  0  0  0
1813    1.0092    2.9169   -2.9597 H   0  0  0  0  0
1814    0.0799    1.8621   -1.8780 H   0  0  0  0  0
1815    0.6360    3.4453   -1.3124 H   0  0  0  0  0
1816  1  2  1  0  0  0
1817  1  9  1  0  0  0
1818  1 10  1  0  0  0
1819  1 11  1  0  0  0
1820  2  3  1  0  0  0
1821  2 12  1  0  0  0
1822  2 13  1  0  0  0
1823  3  4  1  0  0  0
1824  3  7  1  0  0  0
1825  3 14  1  0  0  0
1826  4  5  1  0  0  0
1827  4  6  1  0  0  0
1828  4 15  1  0  0  0
1829  5 16  1  0  0  0
1830  5 17  1  0  0  0
1831  5 18  1  0  0  0
1832  6 19  1  0  0  0
1833  6 20  1  0  0  0
1834  6 21  1  0  0  0
1835  7  8  1  0  0  0
1836  7 22  1  0  0  0
1837  7 23  1  0  0  0
1838  8 24  1  0  0  0
1839  8 25  1  0  0  0
1840  8 26  1  0  0  0
1841M  END
1842$$$$
1843dan039.hin
1844 OpenBabel0803D
1845
1846 26 25  0  0  0  0  0  0  0  0999 V2000
1847    0.0000    0.0000    0.0000 C   0  0  0  0  0
1848    1.5132    0.0000    0.0000 C   0  0  0  0  0
1849    2.1273    1.4230    0.0000 C   0  0  0  0  0
1850    3.6591    1.2390   -0.0227 C   0  0  0  0  0
1851    4.4703    2.4889   -0.2775 C   0  0  0  0  0
1852    1.6493    2.1596   -1.2495 C   0  0  0  0  0
1853    1.6634    2.1377    1.2856 C   0  0  0  0  0
1854    1.9087    3.6284    1.3299 C   0  0  0  0  0
1855   -0.4051   -1.0179   -0.0121 H   0  0  0  0  0
1856   -0.3947    0.5165    0.8906 H   0  0  0  0  0
1857   -0.3913    0.5375   -0.8797 H   0  0  0  0  0
1858    1.8873   -0.5585    0.8812 H   0  0  0  0  0
1859    1.8797   -0.5544   -0.8874 H   0  0  0  0  0
1860    3.9783    0.7859    0.9383 H   0  0  0  0  0
1861    3.9153    0.4916   -0.8025 H   0  0  0  0  0
1862    5.5444    2.2627   -0.2793 H   0  0  0  0  0
1863    4.2299    2.9439   -1.2480 H   0  0  0  0  0
1864    4.2974    3.2565    0.4940 H   0  0  0  0  0
1865    1.7896    3.2485   -1.1545 H   0  0  0  0  0
1866    2.1876    1.8246   -2.1454 H   0  0  0  0  0
1867    0.5749    1.9797   -1.4233 H   0  0  0  0  0
1868    0.5723    1.9461    1.4115 H   0  0  0  0  0
1869    2.1475    1.6557    2.1590 H   0  0  0  0  0
1870    1.3833    4.0921    2.1735 H   0  0  0  0  0
1871    2.9799    3.8644    1.4358 H   0  0  0  0  0
1872    1.5638    4.1182    0.4043 H   0  0  0  0  0
1873  1  2  1  0  0  0
1874  1  9  1  0  0  0
1875  1 10  1  0  0  0
1876  1 11  1  0  0  0
1877  2  3  1  0  0  0
1878  2 12  1  0  0  0
1879  2 13  1  0  0  0
1880  3  4  1  0  0  0
1881  3  6  1  0  0  0
1882  3  7  1  0  0  0
1883  4  5  1  0  0  0
1884  4 14  1  0  0  0
1885  4 15  1  0  0  0
1886  5 16  1  0  0  0
1887  5 17  1  0  0  0
1888  5 18  1  0  0  0
1889  6 19  1  0  0  0
1890  6 20  1  0  0  0
1891  6 21  1  0  0  0
1892  7  8  1  0  0  0
1893  7 22  1  0  0  0
1894  7 23  1  0  0  0
1895  8 24  1  0  0  0
1896  8 25  1  0  0  0
1897  8 26  1  0  0  0
1898M  END
1899$$$$
1900dan040.hin
1901 OpenBabel0803D
1902
1903 26 25  0  0  0  0  0  0  0  0999 V2000
1904    0.0000    0.0000    0.0000 C   0  0  0  0  0
1905    1.5308    0.0000    0.0000 C   0  0  0  0  0
1906    2.0800    1.4674    0.0000 C   0  0  0  0  0
1907    3.6106    1.4675   -0.0208 C   0  0  0  0  0
1908    1.5801    2.2277   -1.2310 C   0  0  0  0  0
1909    1.6131    2.2140    1.2521 C   0  0  0  0  0
1910    2.0137   -0.7541    1.2417 C   0  0  0  0  0
1911    2.0144   -0.7534   -1.2416 C   0  0  0  0  0
1912   -0.3980   -1.0009    0.2118 H   0  0  0  0  0
1913   -0.3939    0.6888    0.7656 H   0  0  0  0  0
1914   -0.4060    0.3166   -0.9700 H   0  0  0  0  0
1915    4.0119    2.4662    0.1954 H   0  0  0  0  0
1916    4.0151    0.7713    0.7326 H   0  0  0  0  0
1917    4.0030    1.1600   -0.9993 H   0  0  0  0  0
1918    2.1171    3.1767   -1.3580 H   0  0  0  0  0
1919    1.7257    1.6323   -2.1475 H   0  0  0  0  0
1920    0.5100    2.4628   -1.1561 H   0  0  0  0  0
1921    1.8110    3.2907    1.1708 H   0  0  0  0  0
1922    0.5298    2.0808    1.4089 H   0  0  0  0  0
1923    2.1245    1.8525    2.1542 H   0  0  0  0  0
1924    3.0975   -0.6162    1.3899 H   0  0  0  0  0
1925    1.5083   -0.4033    2.1514 H   0  0  0  0  0
1926    1.8214   -1.8313    1.1533 H   0  0  0  0  0
1927    3.0849   -0.9908   -1.1808 H   0  0  0  0  0
1928    1.4742   -1.7005   -1.3683 H   0  0  0  0  0
1929    1.8592   -0.1521   -2.1527 H   0  0  0  0  0
1930  1  2  1  0  0  0
1931  1  9  1  0  0  0
1932  1 10  1  0  0  0
1933  1 11  1  0  0  0
1934  2  3  1  0  0  0
1935  2  7  1  0  0  0
1936  2  8  1  0  0  0
1937  3  4  1  0  0  0
1938  3  5  1  0  0  0
1939  3  6  1  0  0  0
1940  4 12  1  0  0  0
1941  4 13  1  0  0  0
1942  4 14  1  0  0  0
1943  5 15  1  0  0  0
1944  5 16  1  0  0  0
1945  5 17  1  0  0  0
1946  6 18  1  0  0  0
1947  6 19  1  0  0  0
1948  6 20  1  0  0  0
1949  7 21  1  0  0  0
1950  7 22  1  0  0  0
1951  7 23  1  0  0  0
1952  8 24  1  0  0  0
1953  8 25  1  0  0  0
1954  8 26  1  0  0  0
1955M  END
1956$$$$
1957dan041.hin
1958 OpenBabel0803D
1959
1960 29 28  0  0  0  0  0  0  0  0999 V2000
1961    0.0000    0.0000    0.0000 C   0  0  0  0  0
1962    1.5120    0.0000    0.0000 C   0  0  0  0  0
1963    2.0689    1.4147    0.0000 C   0  0  0  0  0
1964    3.5889    1.4123    0.0034 C   0  0  0  0  0
1965    4.1441    2.8275    0.0002 C   0  0  0  0  0
1966    5.6642    2.8250    0.0060 C   0  0  0  0  0
1967    6.2194    4.2400    0.0006 C   0  0  0  0  0
1968    7.7397    4.2396    0.0098 C   0  0  0  0  0
1969    8.2939    5.6464    0.0017 C   0  0  0  0  0
1970   -0.3985   -1.0225   -0.0001 H   0  0  0  0  0
1971   -0.4053    0.5101    0.8841 H   0  0  0  0  0
1972   -0.4050    0.5102   -0.8841 H   0  0  0  0  0
1973    1.8904   -0.5539    0.8822 H   0  0  0  0  0
1974    1.8903   -0.5537   -0.8823 H   0  0  0  0  0
1975    1.6926    1.9680   -0.8840 H   0  0  0  0  0
1976    1.6886    1.9699    0.8811 H   0  0  0  0  0
1977    3.9646    0.8601    0.8884 H   0  0  0  0  0
1978    3.9684    0.8550   -0.8768 H   0  0  0  0  0
1979    3.7699    3.3786   -0.8861 H   0  0  0  0  0
1980    3.7630    3.3856    0.8792 H   0  0  0  0  0
1981    6.0385    2.2748    0.8928 H   0  0  0  0  0
1982    6.0451    2.2657   -0.8724 H   0  0  0  0  0
1983    5.8477    4.7895   -0.8877 H   0  0  0  0  0
1984    5.8369    4.8008    0.8772 H   0  0  0  0  0
1985    8.1108    3.6916    0.8987 H   0  0  0  0  0
1986    8.1213    3.6775   -0.8657 H   0  0  0  0  0
1987    9.3912    5.6426    0.0088 H   0  0  0  0  0
1988    7.9734    6.2027   -0.8893 H   0  0  0  0  0
1989    7.9618    6.2176    0.8788 H   0  0  0  0  0
1990  1  2  1  0  0  0
1991  1 10  1  0  0  0
1992  1 11  1  0  0  0
1993  1 12  1  0  0  0
1994  2  3  1  0  0  0
1995  2 13  1  0  0  0
1996  2 14  1  0  0  0
1997  3  4  1  0  0  0
1998  3 15  1  0  0  0
1999  3 16  1  0  0  0
2000  4  5  1  0  0  0
2001  4 17  1  0  0  0
2002  4 18  1  0  0  0
2003  5  6  1  0  0  0
2004  5 19  1  0  0  0
2005  5 20  1  0  0  0
2006  6  7  1  0  0  0
2007  6 21  1  0  0  0
2008  6 22  1  0  0  0
2009  7  8  1  0  0  0
2010  7 23  1  0  0  0
2011  7 24  1  0  0  0
2012  8  9  1  0  0  0
2013  8 25  1  0  0  0
2014  8 26  1  0  0  0
2015  9 27  1  0  0  0
2016  9 28  1  0  0  0
2017  9 29  1  0  0  0
2018M  END
2019$$$$
2020dan042.hin
2021 OpenBabel0803D
2022
2023 29 28  0  0  0  0  0  0  0  0999 V2000
2024    0.0000    0.0000    0.0000 C   0  0  0  0  0
2025    1.5120    0.0000    0.0000 C   0  0  0  0  0
2026    2.0693    1.4145    0.0000 C   0  0  0  0  0
2027    3.5893    1.4116   -0.0051 C   0  0  0  0  0
2028    4.1443    2.8254   -0.0067 C   0  0  0  0  0
2029    5.6652    2.8291    0.0011 C   0  0  0  0  0
2030    6.2218    4.2414   -0.1881 C   0  0  0  0  0
2031    7.7273    4.2493    0.0147 C   0  0  0  0  0
2032    5.8676    4.7749   -1.5672 C   0  0  0  0  0
2033   -0.3985   -1.0225    0.0038 H   0  0  0  0  0
2034   -0.4053    0.5135    0.8821 H   0  0  0  0  0
2035   -0.4050    0.5067   -0.8861 H   0  0  0  0  0
2036    1.8906   -0.5539    0.8821 H   0  0  0  0  0
2037    1.8900   -0.5538   -0.8824 H   0  0  0  0  0
2038    1.6889    1.9701   -0.8808 H   0  0  0  0  0
2039    1.6936    1.9680    0.8842 H   0  0  0  0  0
2040    3.9708    0.8577    0.8764 H   0  0  0  0  0
2041    3.9631    0.8561   -0.8889 H   0  0  0  0  0
2042    3.7858    3.3864   -0.9007 H   0  0  0  0  0
2043    3.7589    3.3868    0.8680 H   0  0  0  0  0
2044    6.0396    2.4016    0.9525 H   0  0  0  0  0
2045    6.0528    2.1652   -0.7982 H   0  0  0  0  0
2046    5.7565    4.9073    0.5799 H   0  0  0  0  0
2047    8.1405    5.2570   -0.1221 H   0  0  0  0  0
2048    7.9989    3.9147    1.0244 H   0  0  0  0  0
2049    8.2353    3.5863   -0.6987 H   0  0  0  0  0
2050    6.1117    5.8397   -1.6635 H   0  0  0  0  0
2051    6.4047    4.2386   -2.3607 H   0  0  0  0  0
2052    4.7884    4.6517   -1.7590 H   0  0  0  0  0
2053  1  2  1  0  0  0
2054  1 10  1  0  0  0
2055  1 11  1  0  0  0
2056  1 12  1  0  0  0
2057  2  3  1  0  0  0
2058  2 13  1  0  0  0
2059  2 14  1  0  0  0
2060  3  4  1  0  0  0
2061  3 15  1  0  0  0
2062  3 16  1  0  0  0
2063  4  5  1  0  0  0
2064  4 17  1  0  0  0
2065  4 18  1  0  0  0
2066  5  6  1  0  0  0
2067  5 19  1  0  0  0
2068  5 20  1  0  0  0
2069  6  7  1  0  0  0
2070  6 21  1  0  0  0
2071  6 22  1  0  0  0
2072  7  8  1  0  0  0
2073  7  9  1  0  0  0
2074  7 23  1  0  0  0
2075  8 24  1  0  0  0
2076  8 25  1  0  0  0
2077  8 26  1  0  0  0
2078  9 27  1  0  0  0
2079  9 28  1  0  0  0
2080  9 29  1  0  0  0
2081M  END
2082$$$$
2083dan043.hin
2084 OpenBabel0803D
2085
2086 29 28  0  0  0  0  0  0  0  0999 V2000
2087    0.0000    0.0000    0.0000 C   0  0  0  0  0
2088    1.5119    0.0000    0.0000 C   0  0  0  0  0
2089    2.0692    1.4146    0.0000 C   0  0  0  0  0
2090    3.5880    1.4112    0.0051 C   0  0  0  0  0
2091    4.1501    2.8245   -0.0129 C   0  0  0  0  0
2092    5.6702    2.8259    0.1717 C   0  0  0  0  0
2093    6.2247    4.2332   -0.0569 C   0  0  0  0  0
2094    7.7276    4.2437   -0.2264 C   0  0  0  0  0
2095    6.0293    2.3067    1.5557 C   0  0  0  0  0
2096   -0.3986   -1.0225   -0.0001 H   0  0  0  0  0
2097   -0.4053    0.5102    0.8840 H   0  0  0  0  0
2098   -0.4049    0.5101   -0.8842 H   0  0  0  0  0
2099    1.8907   -0.5536    0.8822 H   0  0  0  0  0
2100    1.8901   -0.5539   -0.8823 H   0  0  0  0  0
2101    1.6955    1.9680   -0.8849 H   0  0  0  0  0
2102    1.6871    1.9702    0.8802 H   0  0  0  0  0
2103    3.9752    0.8773    0.9036 H   0  0  0  0  0
2104    3.9703    0.8404   -0.8648 H   0  0  0  0  0
2105    3.8826    3.3204   -0.9676 H   0  0  0  0  0
2106    3.6774    3.4341    0.7837 H   0  0  0  0  0
2107    6.1162    2.1417   -0.5923 H   0  0  0  0  0
2108    5.7533    4.6740   -0.9587 H   0  0  0  0  0
2109    5.9319    4.8934    0.7839 H   0  0  0  0  0
2110    8.0980    5.2604   -0.4099 H   0  0  0  0  0
2111    8.2428    3.8645    0.6667 H   0  0  0  0  0
2112    8.0449    3.6210   -1.0737 H   0  0  0  0  0
2113    7.1078    2.1328    1.6587 H   0  0  0  0  0
2114    5.7301    3.0090    2.3452 H   0  0  0  0  0
2115    5.5116    1.3523    1.7512 H   0  0  0  0  0
2116  1  2  1  0  0  0
2117  1 10  1  0  0  0
2118  1 11  1  0  0  0
2119  1 12  1  0  0  0
2120  2  3  1  0  0  0
2121  2 13  1  0  0  0
2122  2 14  1  0  0  0
2123  3  4  1  0  0  0
2124  3 15  1  0  0  0
2125  3 16  1  0  0  0
2126  4  5  1  0  0  0
2127  4 17  1  0  0  0
2128  4 18  1  0  0  0
2129  5  6  1  0  0  0
2130  5 19  1  0  0  0
2131  5 20  1  0  0  0
2132  6  7  1  0  0  0
2133  6  9  1  0  0  0
2134  6 21  1  0  0  0
2135  7  8  1  0  0  0
2136  7 22  1  0  0  0
2137  7 23  1  0  0  0
2138  8 24  1  0  0  0
2139  8 25  1  0  0  0
2140  8 26  1  0  0  0
2141  9 27  1  0  0  0
2142  9 28  1  0  0  0
2143  9 29  1  0  0  0
2144M  END
2145$$$$
2146dan044.hin
2147 OpenBabel0803D
2148
2149 29 28  0  0  0  0  0  0  0  0999 V2000
2150    0.0000    0.0000    0.0000 C   0  0  0  0  0
2151    1.5122    0.0000    0.0000 C   0  0  0  0  0
2152    2.0691    1.4150    0.0000 C   0  0  0  0  0
2153    3.5896    1.4102   -0.0101 C   0  0  0  0  0
2154    4.1752    2.8231   -0.0136 C   0  0  0  0  0
2155    5.6703    2.7695    0.3133 C   0  0  0  0  0
2156    6.2500    4.1617    0.5142 C   0  0  0  0  0
2157    7.7537    4.1252    0.6578 C   0  0  0  0  0
2158    3.9572    3.5102   -1.3532 C   0  0  0  0  0
2159   -0.3987   -1.0225    0.0097 H   0  0  0  0  0
2160   -0.4053    0.5187    0.8791 H   0  0  0  0  0
2161   -0.4051    0.5017   -0.8890 H   0  0  0  0  0
2162    1.8908   -0.5544    0.8818 H   0  0  0  0  0
2163    1.8900   -0.5535   -0.8827 H   0  0  0  0  0
2164    1.6835    1.9709   -0.8792 H   0  0  0  0  0
2165    1.6965    1.9673    0.8863 H   0  0  0  0  0
2166    3.9592    0.8563    0.8772 H   0  0  0  0  0
2167    3.9623    0.8455   -0.8888 H   0  0  0  0  0
2168    3.6649    3.4217    0.7814 H   0  0  0  0  0
2169    5.8388    2.1607    1.2243 H   0  0  0  0  0
2170    6.2112    2.2455   -0.5006 H   0  0  0  0  0
2171    5.9545    4.8043   -0.3466 H   0  0  0  0  0
2172    5.7938    4.6350    1.4060 H   0  0  0  0  0
2173    8.1631    5.1310    0.8171 H   0  0  0  0  0
2174    8.0632    3.5054    1.5099 H   0  0  0  0  0
2175    8.2371    3.7123   -0.2377 H   0  0  0  0  0
2176    4.5035    4.4681   -1.3847 H   0  0  0  0  0
2177    4.3210    2.8983   -2.1894 H   0  0  0  0  0
2178    2.8954    3.7209   -1.5351 H   0  0  0  0  0
2179  1  2  1  0  0  0
2180  1 10  1  0  0  0
2181  1 11  1  0  0  0
2182  1 12  1  0  0  0
2183  2  3  1  0  0  0
2184  2 13  1  0  0  0
2185  2 14  1  0  0  0
2186  3  4  1  0  0  0
2187  3 15  1  0  0  0
2188  3 16  1  0  0  0
2189  4  5  1  0  0  0
2190  4 17  1  0  0  0
2191  4 18  1  0  0  0
2192  5  6  1  0  0  0
2193  5  9  1  0  0  0
2194  5 19  1  0  0  0
2195  6  7  1  0  0  0
2196  6 20  1  0  0  0
2197  6 21  1  0  0  0
2198  7  8  1  0  0  0
2199  7 22  1  0  0  0
2200  7 23  1  0  0  0
2201  8 24  1  0  0  0
2202  8 25  1  0  0  0
2203  8 26  1  0  0  0
2204  9 27  1  0  0  0
2205  9 28  1  0  0  0
2206  9 29  1  0  0  0
2207M  END
2208$$$$
2209dan045.hin
2210 OpenBabel0803D
2211
2212 32 31  0  0  0  0  0  0  0  0999 V2000
2213    0.0000    0.0000    0.0000 C   0  0  0  0  0
2214    1.5119    0.0000    0.0000 C   0  0  0  0  0
2215    2.0693    1.4145    0.0000 C   0  0  0  0  0
2216    3.5893    1.4116   -0.0031 C   0  0  0  0  0
2217    4.1430    2.8244    0.0062 C   0  0  0  0  0
2218    5.6643    2.8333    0.0005 C   0  0  0  0  0
2219    6.2387    4.2613    0.0113 C   0  0  0  0  0
2220    7.7644    4.1872    0.0048 C   0  0  0  0  0
2221    5.7671    5.0145   -1.2313 C   0  0  0  0  0
2222    5.7767    4.9918    1.2710 C   0  0  0  0  0
2223   -0.3985   -1.0225    0.0044 H   0  0  0  0  0
2224   -0.4052    0.5140    0.8818 H   0  0  0  0  0
2225   -0.4050    0.5063   -0.8864 H   0  0  0  0  0
2226    1.8904   -0.5539    0.8822 H   0  0  0  0  0
2227    1.8902   -0.5537   -0.8823 H   0  0  0  0  0
2228    1.6897    1.9698   -0.8813 H   0  0  0  0  0
2229    1.6931    1.9683    0.8837 H   0  0  0  0  0
2230    3.9693    0.8506    0.8746 H   0  0  0  0  0
2231    3.9653    0.8640   -0.8909 H   0  0  0  0  0
2232    3.7721    3.4027   -0.8708 H   0  0  0  0  0
2233    3.7786    3.3887    0.8951 H   0  0  0  0  0
2234    6.0485    2.2758    0.8784 H   0  0  0  0  0
2235    6.0417    2.2921   -0.8904 H   0  0  0  0  0
2236    8.2083    5.1913    0.0143 H   0  0  0  0  0
2237    8.1452    3.6486    0.8828 H   0  0  0  0  0
2238    8.1385    3.6683   -0.8878 H   0  0  0  0  0
2239    6.0311    6.0785   -1.1863 H   0  0  0  0  0
2240    6.2147    4.5992   -2.1439 H   0  0  0  0  0
2241    4.6725    4.9368   -1.3398 H   0  0  0  0  0
2242    6.0419    6.0561    1.2441 H   0  0  0  0  0
2243    4.6827    4.9136    1.3855 H   0  0  0  0  0
2244    6.2301    4.5588    2.1724 H   0  0  0  0  0
2245  1  2  1  0  0  0
2246  1 11  1  0  0  0
2247  1 12  1  0  0  0
2248  1 13  1  0  0  0
2249  2  3  1  0  0  0
2250  2 14  1  0  0  0
2251  2 15  1  0  0  0
2252  3  4  1  0  0  0
2253  3 16  1  0  0  0
2254  3 17  1  0  0  0
2255  4  5  1  0  0  0
2256  4 18  1  0  0  0
2257  4 19  1  0  0  0
2258  5  6  1  0  0  0
2259  5 20  1  0  0  0
2260  5 21  1  0  0  0
2261  6  7  1  0  0  0
2262  6 22  1  0  0  0
2263  6 23  1  0  0  0
2264  7  8  1  0  0  0
2265  7  9  1  0  0  0
2266  7 10  1  0  0  0
2267  8 24  1  0  0  0
2268  8 25  1  0  0  0
2269  8 26  1  0  0  0
2270  9 27  1  0  0  0
2271  9 28  1  0  0  0
2272  9 29  1  0  0  0
2273 10 30  1  0  0  0
2274 10 31  1  0  0  0
2275 10 32  1  0  0  0
2276M  END
2277$$$$
2278dan046.hin
2279 OpenBabel0803D
2280
2281 32 31  0  0  0  0  0  0  0  0999 V2000
2282    0.0000    0.0000    0.0000 C   0  0  0  0  0
2283    1.5119    0.0000    0.0000 C   0  0  0  0  0
2284    2.0693    1.4145    0.0000 C   0  0  0  0  0
2285    3.5882    1.4108    0.0072 C   0  0  0  0  0
2286    4.1501    2.8231   -0.0117 C   0  0  0  0  0
2287    5.6743    2.8241    0.1524 C   0  0  0  0  0
2288    6.2454    4.2241   -0.1429 C   0  0  0  0  0
2289    7.7437    4.2885    0.1105 C   0  0  0  0  0
2290    5.9641    4.6247   -1.5847 C   0  0  0  0  0
2291    6.0300    2.3492    1.5538 C   0  0  0  0  0
2292   -0.3986   -1.0225    0.0014 H   0  0  0  0  0
2293   -0.4053    0.5115    0.8833 H   0  0  0  0  0
2294   -0.4049    0.5089   -0.8849 H   0  0  0  0  0
2295    1.8906   -0.5535    0.8823 H   0  0  0  0  0
2296    1.8901   -0.5541   -0.8821 H   0  0  0  0  0
2297    1.6971    1.9674   -0.8859 H   0  0  0  0  0
2298    1.6862    1.9708    0.8792 H   0  0  0  0  0
2299    3.9740    0.8808    0.9086 H   0  0  0  0  0
2300    3.9715    0.8377   -0.8607 H   0  0  0  0  0
2301    3.8779    3.3324   -0.9635 H   0  0  0  0  0
2302    3.6872    3.4295    0.7931 H   0  0  0  0  0
2303    6.1120    2.1087   -0.5877 H   0  0  0  0  0
2304    5.7387    4.9539    0.5359 H   0  0  0  0  0
2305    8.1554    5.2569   -0.2031 H   0  0  0  0  0
2306    7.9825    4.1624    1.1751 H   0  0  0  0  0
2307    8.2816    3.5069   -0.4428 H   0  0  0  0  0
2308    6.2418    5.6696   -1.7715 H   0  0  0  0  0
2309    6.5244    4.0014   -2.2943 H   0  0  0  0  0
2310    4.8939    4.5129   -1.8240 H   0  0  0  0  0
2311    7.0953    2.1020    1.6457 H   0  0  0  0  0
2312    5.7977    3.1078    2.3129 H   0  0  0  0  0
2313    5.4538    1.4419    1.8037 H   0  0  0  0  0
2314  1  2  1  0  0  0
2315  1 11  1  0  0  0
2316  1 12  1  0  0  0
2317  1 13  1  0  0  0
2318  2  3  1  0  0  0
2319  2 14  1  0  0  0
2320  2 15  1  0  0  0
2321  3  4  1  0  0  0
2322  3 16  1  0  0  0
2323  3 17  1  0  0  0
2324  4  5  1  0  0  0
2325  4 18  1  0  0  0
2326  4 19  1  0  0  0
2327  5  6  1  0  0  0
2328  5 20  1  0  0  0
2329  5 21  1  0  0  0
2330  6  7  1  0  0  0
2331  6 10  1  0  0  0
2332  6 22  1  0  0  0
2333  7  8  1  0  0  0
2334  7  9  1  0  0  0
2335  7 23  1  0  0  0
2336  8 24  1  0  0  0
2337  8 25  1  0  0  0
2338  8 26  1  0  0  0
2339  9 27  1  0  0  0
2340  9 28  1  0  0  0
2341  9 29  1  0  0  0
2342 10 30  1  0  0  0
2343 10 31  1  0  0  0
2344 10 32  1  0  0  0
2345M  END
2346$$$$
2347dan047.hin
2348 OpenBabel0803D
2349
2350 32 31  0  0  0  0  0  0  0  0999 V2000
2351    0.0000    0.0000    0.0000 C   0  0  0  0  0
2352    1.5120    0.0000    0.0000 C   0  0  0  0  0
2353    2.0684    1.4136    0.0000 C   0  0  0  0  0
2354    3.5894    1.4171    0.0134 C   0  0  0  0  0
2355    4.1484    2.8309   -0.1759 C   0  0  0  0  0
2356    5.6638    2.8346    0.0500 C   0  0  0  0  0
2357    6.2070    4.1853    0.5277 C   0  0  0  0  0
2358    7.5230    3.9877    1.2657 C   0  0  0  0  0
2359    6.4076    5.1533   -0.6269 C   0  0  0  0  0
2360    3.7850    3.3479   -1.5593 C   0  0  0  0  0
2361   -0.3986   -1.0224    0.0000 H   0  0  0  0  0
2362   -0.4055    0.5103    0.8838 H   0  0  0  0  0
2363   -0.4045    0.5102   -0.8843 H   0  0  0  0  0
2364    1.8914   -0.5526    0.8825 H   0  0  0  0  0
2365    1.8896   -0.5546   -0.8821 H   0  0  0  0  0
2366    1.7104    1.9741   -0.8943 H   0  0  0  0  0
2367    1.6797    1.9743    0.8737 H   0  0  0  0  0
2368    3.9550    0.9877    0.9680 H   0  0  0  0  0
2369    3.9804    0.7520   -0.7829 H   0  0  0  0  0
2370    3.6717    3.4956    0.5879 H   0  0  0  0  0
2371    5.9154    2.0645    0.8093 H   0  0  0  0  0
2372    6.1900    2.5190   -0.8733 H   0  0  0  0  0
2373    5.4703    4.6332    1.2402 H   0  0  0  0  0
2374    7.9404    4.9471    1.5985 H   0  0  0  0  0
2375    7.3973    3.3581    2.1564 H   0  0  0  0  0
2376    8.2754    3.5065    0.6264 H   0  0  0  0  0
2377    6.7459    6.1349   -0.2710 H   0  0  0  0  0
2378    7.1579    4.7847   -1.3394 H   0  0  0  0  0
2379    5.4704    5.3056   -1.1867 H   0  0  0  0  0
2380    4.0715    4.4041   -1.6816 H   0  0  0  0  0
2381    4.2846    2.7771   -2.3535 H   0  0  0  0  0
2382    2.6986    3.2619   -1.7271 H   0  0  0  0  0
2383  1  2  1  0  0  0
2384  1 11  1  0  0  0
2385  1 12  1  0  0  0
2386  1 13  1  0  0  0
2387  2  3  1  0  0  0
2388  2 14  1  0  0  0
2389  2 15  1  0  0  0
2390  3  4  1  0  0  0
2391  3 16  1  0  0  0
2392  3 17  1  0  0  0
2393  4  5  1  0  0  0
2394  4 18  1  0  0  0
2395  4 19  1  0  0  0
2396  5  6  1  0  0  0
2397  5 10  1  0  0  0
2398  5 20  1  0  0  0
2399  6  7  1  0  0  0
2400  6 21  1  0  0  0
2401  6 22  1  0  0  0
2402  7  8  1  0  0  0
2403  7  9  1  0  0  0
2404  7 23  1  0  0  0
2405  8 24  1  0  0  0
2406  8 25  1  0  0  0
2407  8 26  1  0  0  0
2408  9 27  1  0  0  0
2409  9 28  1  0  0  0
2410  9 29  1  0  0  0
2411 10 30  1  0  0  0
2412 10 31  1  0  0  0
2413 10 32  1  0  0  0
2414M  END
2415$$$$
2416dan048.hin
2417 OpenBabel0803D
2418
2419 32 31  0  0  0  0  0  0  0  0999 V2000
2420    0.0000    0.0000    0.0000 C   0  0  0  0  0
2421    1.5121    0.0000    0.0000 C   0  0  0  0  0
2422    2.0668    1.4161    0.0000 C   0  0  0  0  0
2423    3.5959    1.4430   -0.0082 C   0  0  0  0  0
2424    4.0924    2.8494   -0.3569 C   0  0  0  0  0
2425    5.5970    2.8670   -0.5820 C   0  0  0  0  0
2426    6.1523    4.2812   -0.7498 C   0  0  0  0  0
2427    7.6656    4.2674   -0.5987 C   0  0  0  0  0
2428    5.7700    4.8689   -2.0987 C   0  0  0  0  0
2429    4.1650    1.0044    1.3327 C   0  0  0  0  0
2430   -0.3982   -1.0226    0.0027 H   0  0  0  0  0
2431   -0.4054    0.5124    0.8827 H   0  0  0  0  0
2432   -0.4055    0.5075   -0.8855 H   0  0  0  0  0
2433    1.8899   -0.5552    0.8824 H   0  0  0  0  0
2434    1.8901   -0.5537   -0.8825 H   0  0  0  0  0
2435    1.6796    1.9583   -0.8871 H   0  0  0  0  0
2436    1.6836    1.9736    0.8787 H   0  0  0  0  0
2437    3.9592    0.7385   -0.7972 H   0  0  0  0  0
2438    3.5717    3.2204   -1.2633 H   0  0  0  0  0
2439    3.8172    3.5529    0.4550 H   0  0  0  0  0
2440    6.0888    2.3650    0.2837 H   0  0  0  0  0
2441    5.8569    2.2522   -1.4671 H   0  0  0  0  0
2442    5.7242    4.9298    0.0539 H   0  0  0  0  0
2443    8.0871    5.2740   -0.7190 H   0  0  0  0  0
2444    7.9688    3.8998    0.3904 H   0  0  0  0  0
2445    8.1400    3.6209   -1.3493 H   0  0  0  0  0
2446    6.1541    5.8912   -2.2106 H   0  0  0  0  0
2447    6.1738    4.2735   -2.9288 H   0  0  0  0  0
2448    4.6797    4.9105   -2.2247 H   0  0  0  0  0
2449    5.2573    1.1578    1.3525 H   0  0  0  0  0
2450    3.7384    1.5801    2.1649 H   0  0  0  0  0
2451    3.9697   -0.0573    1.5306 H   0  0  0  0  0
2452  1  2  1  0  0  0
2453  1 11  1  0  0  0
2454  1 12  1  0  0  0
2455  1 13  1  0  0  0
2456  2  3  1  0  0  0
2457  2 14  1  0  0  0
2458  2 15  1  0  0  0
2459  3  4  1  0  0  0
2460  3 16  1  0  0  0
2461  3 17  1  0  0  0
2462  4  5  1  0  0  0
2463  4 10  1  0  0  0
2464  4 18  1  0  0  0
2465  5  6  1  0  0  0
2466  5 19  1  0  0  0
2467  5 20  1  0  0  0
2468  6  7  1  0  0  0
2469  6 21  1  0  0  0
2470  6 22  1  0  0  0
2471  7  8  1  0  0  0
2472  7  9  1  0  0  0
2473  7 23  1  0  0  0
2474  8 24  1  0  0  0
2475  8 25  1  0  0  0
2476  8 26  1  0  0  0
2477  9 27  1  0  0  0
2478  9 28  1  0  0  0
2479  9 29  1  0  0  0
2480 10 30  1  0  0  0
2481 10 31  1  0  0  0
2482 10 32  1  0  0  0
2483M  END
2484$$$$
2485dan049.hin
2486 OpenBabel0803D
2487
2488 32 31  0  0  0  0  0  0  0  0999 V2000
2489    0.0000    0.0000    0.0000 C   0  0  0  0  0
2490    1.5124    0.0000    0.0000 C   0  0  0  0  0
2491    2.0995    1.4125    0.0000 C   0  0  0  0  0
2492    3.5915    1.3601    0.3414 C   0  0  0  0  0
2493    4.1624    2.7532    0.5479 C   0  0  0  0  0
2494    5.6740    2.7308    0.7030 C   0  0  0  0  0
2495    6.2535    4.1466    0.7123 C   0  0  0  0  0
2496    7.7326    4.1118    1.0566 C   0  0  0  0  0
2497    6.0355    4.8215   -0.6328 C   0  0  0  0  0
2498    1.8948    2.0984   -1.3424 C   0  0  0  0  0
2499   -0.3955   -1.0235    0.0267 H   0  0  0  0  0
2500   -0.4063    0.5317    0.8709 H   0  0  0  0  0
2501   -0.4092    0.4847   -0.8969 H   0  0  0  0  0
2502    1.8770   -0.5514    0.8904 H   0  0  0  0  0
2503    1.8925   -0.5646   -0.8749 H   0  0  0  0  0
2504    1.5802    2.0115    0.7890 H   0  0  0  0  0
2505    3.7528    0.7517    1.2538 H   0  0  0  0  0
2506    4.1393    0.8365   -0.4683 H   0  0  0  0  0
2507    3.8860    3.4050   -0.3206 H   0  0  0  0  0
2508    3.6951    3.2292    1.4327 H   0  0  0  0  0
2509    5.9504    2.2039    1.6378 H   0  0  0  0  0
2510    6.1353    2.1454   -0.1183 H   0  0  0  0  0
2511    5.7202    4.7385    1.4965 H   0  0  0  0  0
2512    8.1626    5.1218    1.0612 H   0  0  0  0  0
2513    7.9043    3.6746    2.0488 H   0  0  0  0  0
2514    8.3030    3.5153    0.3317 H   0  0  0  0  0
2515    6.2884    5.8880   -0.5954 H   0  0  0  0  0
2516    6.6470    4.3632   -1.4213 H   0  0  0  0  0
2517    4.9799    4.7301   -0.9402 H   0  0  0  0  0
2518    2.4467    3.0534   -1.3716 H   0  0  0  0  0
2519    2.2613    1.4833   -2.1751 H   0  0  0  0  0
2520    0.8360    2.3149   -1.5321 H   0  0  0  0  0
2521  1  2  1  0  0  0
2522  1 11  1  0  0  0
2523  1 12  1  0  0  0
2524  1 13  1  0  0  0
2525  2  3  1  0  0  0
2526  2 14  1  0  0  0
2527  2 15  1  0  0  0
2528  3  4  1  0  0  0
2529  3 10  1  0  0  0
2530  3 16  1  0  0  0
2531  4  5  1  0  0  0
2532  4 17  1  0  0  0
2533  4 18  1  0  0  0
2534  5  6  1  0  0  0
2535  5 19  1  0  0  0
2536  5 20  1  0  0  0
2537  6  7  1  0  0  0
2538  6 21  1  0  0  0
2539  6 22  1  0  0  0
2540  7  8  1  0  0  0
2541  7  9  1  0  0  0
2542  7 23  1  0  0  0
2543  8 24  1  0  0  0
2544  8 25  1  0  0  0
2545  8 26  1  0  0  0
2546  9 27  1  0  0  0
2547  9 28  1  0  0  0
2548  9 29  1  0  0  0
2549 10 30  1  0  0  0
2550 10 31  1  0  0  0
2551 10 32  1  0  0  0
2552M  END
2553$$$$
2554dan050.hin
2555 OpenBabel0803D
2556
2557 32 31  0  0  0  0  0  0  0  0999 V2000
2558    0.0000    0.0000    0.0000 C   0  0  0  0  0
2559    1.5119    0.0000    0.0000 C   0  0  0  0  0
2560    2.0691    1.4146    0.0000 C   0  0  0  0  0
2561    3.5867    1.4104   -0.0120 C   0  0  0  0  0
2562    4.1527    2.8226   -0.0069 C   0  0  0  0  0
2563    5.6963    2.8452   -0.0200 C   0  0  0  0  0
2564    6.1427    4.3195   -0.0162 C   0  0  0  0  0
2565    7.6413    4.5224   -0.0301 C   0  0  0  0  0
2566    6.2191    2.1286    1.2241 C   0  0  0  0  0
2567    6.1977    2.1419   -1.2803 C   0  0  0  0  0
2568   -0.3986   -1.0225    0.0017 H   0  0  0  0  0
2569   -0.4051    0.5117    0.8832 H   0  0  0  0  0
2570   -0.4050    0.5087   -0.8850 H   0  0  0  0  0
2571    1.8909   -0.5539    0.8819 H   0  0  0  0  0
2572    1.8901   -0.5534   -0.8825 H   0  0  0  0  0
2573    1.6847    1.9720   -0.8780 H   0  0  0  0  0
2574    1.6984    1.9665    0.8873 H   0  0  0  0  0
2575    3.9743    0.8640   -0.9021 H   0  0  0  0  0
2576    3.9881    0.8522    0.8646 H   0  0  0  0  0
2577    3.7692    3.3811   -0.8847 H   0  0  0  0  0
2578    3.7842    3.3694    0.8846 H   0  0  0  0  0
2579    5.6968    4.8332   -0.8925 H   0  0  0  0  0
2580    5.7143    4.8229    0.8746 H   0  0  0  0  0
2581    7.8912    5.5913   -0.0131 H   0  0  0  0  0
2582    8.1261    4.0595    0.8402 H   0  0  0  0  0
2583    8.1047    4.0929   -0.9287 H   0  0  0  0  0
2584    7.2985    1.9371    1.1659 H   0  0  0  0  0
2585    6.0349    2.7182    2.1319 H   0  0  0  0  0
2586    5.7121    1.1578    1.3550 H   0  0  0  0  0
2587    7.2791    1.9563   -1.2452 H   0  0  0  0  0
2588    5.6934    1.1695   -1.4092 H   0  0  0  0  0
2589    5.9920    2.7380   -2.1792 H   0  0  0  0  0
2590  1  2  1  0  0  0
2591  1 11  1  0  0  0
2592  1 12  1  0  0  0
2593  1 13  1  0  0  0
2594  2  3  1  0  0  0
2595  2 14  1  0  0  0
2596  2 15  1  0  0  0
2597  3  4  1  0  0  0
2598  3 16  1  0  0  0
2599  3 17  1  0  0  0
2600  4  5  1  0  0  0
2601  4 18  1  0  0  0
2602  4 19  1  0  0  0
2603  5  6  1  0  0  0
2604  5 20  1  0  0  0
2605  5 21  1  0  0  0
2606  6  7  1  0  0  0
2607  6  9  1  0  0  0
2608  6 10  1  0  0  0
2609  7  8  1  0  0  0
2610  7 22  1  0  0  0
2611  7 23  1  0  0  0
2612  8 24  1  0  0  0
2613  8 25  1  0  0  0
2614  8 26  1  0  0  0
2615  9 27  1  0  0  0
2616  9 28  1  0  0  0
2617  9 29  1  0  0  0
2618 10 30  1  0  0  0
2619 10 31  1  0  0  0
2620 10 32  1  0  0  0
2621M  END
2622$$$$
2623dan051.hin
2624 OpenBabel0803D
2625
2626 32 31  0  0  0  0  0  0  0  0999 V2000
2627    0.0000    0.0000    0.0000 C   0  0  0  0  0
2628    1.5120    0.0000    0.0000 C   0  0  0  0  0
2629    2.0681    1.4137    0.0000 C   0  0  0  0  0
2630    3.5884    1.4181    0.0205 C   0  0  0  0  0
2631    4.1411    2.8336   -0.1743 C   0  0  0  0  0
2632    5.6555    2.8875    0.1101 C   0  0  0  0  0
2633    6.1998    4.3051   -0.0988 C   0  0  0  0  0
2634    7.6975    4.3232   -0.3049 C   0  0  0  0  0
2635    5.9556    2.4212    1.5278 C   0  0  0  0  0
2636    3.8262    3.2975   -1.5897 C   0  0  0  0  0
2637   -0.3987   -1.0224   -0.0011 H   0  0  0  0  0
2638   -0.4055    0.5094    0.8844 H   0  0  0  0  0
2639   -0.4044    0.5111   -0.8838 H   0  0  0  0  0
2640    1.8915   -0.5523    0.8826 H   0  0  0  0  0
2641    1.8899   -0.5547   -0.8820 H   0  0  0  0  0
2642    1.7170    1.9722   -0.8984 H   0  0  0  0  0
2643    1.6745    1.9762    0.8701 H   0  0  0  0  0
2644    3.9845    0.7494   -0.7706 H   0  0  0  0  0
2645    3.9624    0.9953    0.9798 H   0  0  0  0  0
2646    3.6319    3.5176    0.5493 H   0  0  0  0  0
2647    6.1634    2.1985   -0.6097 H   0  0  0  0  0
2648    5.6988    4.7682   -0.9790 H   0  0  0  0  0
2649    5.9256    4.9449    0.7638 H   0  0  0  0  0
2650    8.0645    5.3473   -0.4502 H   0  0  0  0  0
2651    8.2344    3.9027    0.5566 H   0  0  0  0  0
2652    7.9930    3.7406   -1.1878 H   0  0  0  0  0
2653    7.0364    2.3539    1.7073 H   0  0  0  0  0
2654    5.5374    3.1055    2.2786 H   0  0  0  0  0
2655    5.5211    1.4262    1.7177 H   0  0  0  0  0
2656    4.1451    4.3392   -1.7490 H   0  0  0  0  0
2657    4.3345    2.6806   -2.3428 H   0  0  0  0  0
2658    2.7429    3.2272   -1.7802 H   0  0  0  0  0
2659  1  2  1  0  0  0
2660  1 11  1  0  0  0
2661  1 12  1  0  0  0
2662  1 13  1  0  0  0
2663  2  3  1  0  0  0
2664  2 14  1  0  0  0
2665  2 15  1  0  0  0
2666  3  4  1  0  0  0
2667  3 16  1  0  0  0
2668  3 17  1  0  0  0
2669  4  5  1  0  0  0
2670  4 18  1  0  0  0
2671  4 19  1  0  0  0
2672  5  6  1  0  0  0
2673  5 10  1  0  0  0
2674  5 20  1  0  0  0
2675  6  7  1  0  0  0
2676  6  9  1  0  0  0
2677  6 21  1  0  0  0
2678  7  8  1  0  0  0
2679  7 22  1  0  0  0
2680  7 23  1  0  0  0
2681  8 24  1  0  0  0
2682  8 25  1  0  0  0
2683  8 26  1  0  0  0
2684  9 27  1  0  0  0
2685  9 28  1  0  0  0
2686  9 29  1  0  0  0
2687 10 30  1  0  0  0
2688 10 31  1  0  0  0
2689 10 32  1  0  0  0
2690M  END
2691$$$$
2692dan052.hin
2693 OpenBabel0803D
2694
2695 32 31  0  0  0  0  0  0  0  0999 V2000
2696    0.0000    0.0000    0.0000 C   0  0  0  0  0
2697    1.5121    0.0000    0.0000 C   0  0  0  0  0
2698    2.0666    1.4162    0.0000 C   0  0  0  0  0
2699    3.5941    1.4421    0.0104 C   0  0  0  0  0
2700    4.1004    2.8426    0.3709 C   0  0  0  0  0
2701    5.6047    2.8310    0.6615 C   0  0  0  0  0
2702    6.1426    4.2592    0.7418 C   0  0  0  0  0
2703    7.6527    4.3132    0.6760 C   0  0  0  0  0
2704    5.8814    2.0564    1.9403 C   0  0  0  0  0
2705    4.1700    1.0099   -1.3290 C   0  0  0  0  0
2706   -0.3982   -1.0226    0.0027 H   0  0  0  0  0
2707   -0.4058    0.5124    0.8825 H   0  0  0  0  0
2708   -0.4050    0.5075   -0.8857 H   0  0  0  0  0
2709    1.8906   -0.5536    0.8824 H   0  0  0  0  0
2710    1.8899   -0.5550   -0.8824 H   0  0  0  0  0
2711    1.6853    1.9728   -0.8800 H   0  0  0  0  0
2712    1.6781    1.9594    0.8859 H   0  0  0  0  0
2713    3.9681    0.7394    0.8056 H   0  0  0  0  0
2714    3.8757    3.5443   -0.4576 H   0  0  0  0  0
2715    3.5537    3.2321    1.2532 H   0  0  0  0  0
2716    6.1041    2.2996   -0.1953 H   0  0  0  0  0
2717    5.7196    4.8609   -0.0881 H   0  0  0  0  0
2718    5.7844    4.7433    1.6723 H   0  0  0  0  0
2719    8.0137    5.3489    0.7156 H   0  0  0  0  0
2720    8.1182    3.7726    1.5114 H   0  0  0  0  0
2721    8.0344    3.8676   -0.2524 H   0  0  0  0  0
2722    6.9545    1.8786    2.0850 H   0  0  0  0  0
2723    5.5106    2.5864    2.8278 H   0  0  0  0  0
2724    5.3764    1.0760    1.9064 H   0  0  0  0  0
2725    3.9720   -0.0496   -1.5351 H   0  0  0  0  0
2726    3.7526    1.5927   -2.1609 H   0  0  0  0  0
2727    5.2632    1.1592   -1.3371 H   0  0  0  0  0
2728  1  2  1  0  0  0
2729  1 11  1  0  0  0
2730  1 12  1  0  0  0
2731  1 13  1  0  0  0
2732  2  3  1  0  0  0
2733  2 14  1  0  0  0
2734  2 15  1  0  0  0
2735  3  4  1  0  0  0
2736  3 16  1  0  0  0
2737  3 17  1  0  0  0
2738  4  5  1  0  0  0
2739  4 10  1  0  0  0
2740  4 18  1  0  0  0
2741  5  6  1  0  0  0
2742  5 19  1  0  0  0
2743  5 20  1  0  0  0
2744  6  7  1  0  0  0
2745  6  9  1  0  0  0
2746  6 21  1  0  0  0
2747  7  8  1  0  0  0
2748  7 22  1  0  0  0
2749  7 23  1  0  0  0
2750  8 24  1  0  0  0
2751  8 25  1  0  0  0
2752  8 26  1  0  0  0
2753  9 27  1  0  0  0
2754  9 28  1  0  0  0
2755  9 29  1  0  0  0
2756 10 30  1  0  0  0
2757 10 31  1  0  0  0
2758 10 32  1  0  0  0
2759M  END
2760$$$$
2761dan053.hin
2762 OpenBabel0803D
2763
2764 32 31  0  0  0  0  0  0  0  0999 V2000
2765    0.0000    0.0000    0.0000 C   0  0  0  0  0
2766    1.5120    0.0000    0.0000 C   0  0  0  0  0
2767    2.0678    1.4144    0.0000 C   0  0  0  0  0
2768    3.5885    1.4142   -0.0353 C   0  0  0  0  0
2769    4.2118    2.8018    0.2166 C   0  0  0  0  0
2770    5.7429    2.6495    0.1188 C   0  0  0  0  0
2771    6.5027    3.9422    0.3770 C   0  0  0  0  0
2772    7.9675    3.8026    0.0321 C   0  0  0  0  0
2773    3.7343    3.7995   -0.8372 C   0  0  0  0  0
2774    3.8126    3.2910    1.6077 C   0  0  0  0  0
2775   -0.3986   -1.0224    0.0070 H   0  0  0  0  0
2776   -0.4047    0.5163    0.8807 H   0  0  0  0  0
2777   -0.4054    0.5041   -0.8874 H   0  0  0  0  0
2778    1.8895   -0.5554    0.8817 H   0  0  0  0  0
2779    1.8910   -0.5521   -0.8829 H   0  0  0  0  0
2780    1.6658    1.9771   -0.8668 H   0  0  0  0  0
2781    1.7190    1.9689    0.9013 H   0  0  0  0  0
2782    3.9360    1.0233   -1.0131 H   0  0  0  0  0
2783    3.9756    0.7059    0.7261 H   0  0  0  0  0
2784    6.0850    1.8711    0.8306 H   0  0  0  0  0
2785    6.0002    2.2673   -0.8906 H   0  0  0  0  0
2786    6.0392    4.7641   -0.2146 H   0  0  0  0  0
2787    6.3912    4.2426    1.4381 H   0  0  0  0  0
2788    8.5155    4.7299    0.2420 H   0  0  0  0  0
2789    8.4442    3.0006    0.6113 H   0  0  0  0  0
2790    8.1149    3.5682   -1.0307 H   0  0  0  0  0
2791    4.3463    4.7169   -0.8080 H   0  0  0  0  0
2792    3.8135    3.3827   -1.8497 H   0  0  0  0  0
2793    2.6882    4.0910   -0.6767 H   0  0  0  0  0
2794    4.0635    4.3496    1.7541 H   0  0  0  0  0
2795    2.7257    3.1798    1.7605 H   0  0  0  0  0
2796    4.3168    2.7159    2.3952 H   0  0  0  0  0
2797  1  2  1  0  0  0
2798  1 11  1  0  0  0
2799  1 12  1  0  0  0
2800  1 13  1  0  0  0
2801  2  3  1  0  0  0
2802  2 14  1  0  0  0
2803  2 15  1  0  0  0
2804  3  4  1  0  0  0
2805  3 16  1  0  0  0
2806  3 17  1  0  0  0
2807  4  5  1  0  0  0
2808  4 18  1  0  0  0
2809  4 19  1  0  0  0
2810  5  6  1  0  0  0
2811  5  9  1  0  0  0
2812  5 10  1  0  0  0
2813  6  7  1  0  0  0
2814  6 20  1  0  0  0
2815  6 21  1  0  0  0
2816  7  8  1  0  0  0
2817  7 22  1  0  0  0
2818  7 23  1  0  0  0
2819  8 24  1  0  0  0
2820  8 25  1  0  0  0
2821  8 26  1  0  0  0
2822  9 27  1  0  0  0
2823  9 28  1  0  0  0
2824  9 29  1  0  0  0
2825 10 30  1  0  0  0
2826 10 31  1  0  0  0
2827 10 32  1  0  0  0
2828M  END
2829$$$$
2830dan054.hin
2831 OpenBabel0803D
2832
2833 29 28  0  0  0  0  0  0  0  0999 V2000
2834    0.0000    0.0000    0.0000 C   0  0  0  0  0
2835    1.5120    0.0000    0.0000 C   0  0  0  0  0
2836    2.0680    1.4140    0.0000 C   0  0  0  0  0
2837    3.5884    1.4165    0.0131 C   0  0  0  0  0
2838    4.1629    2.8344   -0.0904 C   0  0  0  0  0
2839    5.6751    2.7849    0.1582 C   0  0  0  0  0
2840    6.2328    4.0933    0.6718 C   0  0  0  0  0
2841    3.8208    3.4372   -1.4578 C   0  0  0  0  0
2842    3.8212    4.9487   -1.4593 C   0  0  0  0  0
2843   -0.3986   -1.0224    0.0003 H   0  0  0  0  0
2844   -0.4054    0.5106    0.8837 H   0  0  0  0  0
2845   -0.4047    0.5099   -0.8844 H   0  0  0  0  0
2846    1.8909   -0.5529    0.8826 H   0  0  0  0  0
2847    1.8902   -0.5543   -0.8820 H   0  0  0  0  0
2848    1.7097    1.9707   -0.8961 H   0  0  0  0  0
2849    1.6789    1.9753    0.8729 H   0  0  0  0  0
2850    3.9772    0.7961   -0.8196 H   0  0  0  0  0
2851    3.9513    0.9315    0.9422 H   0  0  0  0  0
2852    3.6892    3.4613    0.7058 H   0  0  0  0  0
2853    5.9043    1.9859    0.8932 H   0  0  0  0  0
2854    6.2013    2.4876   -0.7711 H   0  0  0  0  0
2855    7.3179    4.0306    0.8228 H   0  0  0  0  0
2856    6.0439    4.9194   -0.0334 H   0  0  0  0  0
2857    5.7830    4.3781    1.6323 H   0  0  0  0  0
2858    4.5203    3.0547   -2.2274 H   0  0  0  0  0
2859    2.8126    3.0739   -1.7648 H   0  0  0  0  0
2860    3.5942    5.3444   -2.4573 H   0  0  0  0  0
2861    3.0735    5.3561   -0.7658 H   0  0  0  0  0
2862    4.8004    5.3549   -1.1567 H   0  0  0  0  0
2863  1  2  1  0  0  0
2864  1 10  1  0  0  0
2865  1 11  1  0  0  0
2866  1 12  1  0  0  0
2867  2  3  1  0  0  0
2868  2 13  1  0  0  0
2869  2 14  1  0  0  0
2870  3  4  1  0  0  0
2871  3 15  1  0  0  0
2872  3 16  1  0  0  0
2873  4  5  1  0  0  0
2874  4 17  1  0  0  0
2875  4 18  1  0  0  0
2876  5  6  1  0  0  0
2877  5  8  1  0  0  0
2878  5 19  1  0  0  0
2879  6  7  1  0  0  0
2880  6 20  1  0  0  0
2881  6 21  1  0  0  0
2882  7 22  1  0  0  0
2883  7 23  1  0  0  0
2884  7 24  1  0  0  0
2885  8  9  1  0  0  0
2886  8 25  1  0  0  0
2887  8 26  1  0  0  0
2888  9 27  1  0  0  0
2889  9 28  1  0  0  0
2890  9 29  1  0  0  0
2891M  END
2892$$$$
2893dan055.hin
2894 OpenBabel0803D
2895
2896 29 28  0  0  0  0  0  0  0  0999 V2000
2897    0.0000    0.0000    0.0000 C   0  0  0  0  0
2898    1.5119    0.0000    0.0000 C   0  0  0  0  0
2899    2.0677    1.4154    0.0000 C   0  0  0  0  0
2900    3.6000    1.4556   -0.0120 C   0  0  0  0  0
2901    4.0727    2.7715    0.6177 C   0  0  0  0  0
2902    5.5767    2.7919    0.8426 C   0  0  0  0  0
2903    6.0423    4.1273    1.3750 C   0  0  0  0  0
2904    4.1721    1.3195   -1.4279 C   0  0  0  0  0
2905    4.2722   -0.1145   -1.8952 C   0  0  0  0  0
2906   -0.3979   -1.0227    0.0043 H   0  0  0  0  0
2907   -0.4059    0.5136    0.8818 H   0  0  0  0  0
2908   -0.4053    0.5060   -0.8864 H   0  0  0  0  0
2909    1.8900   -0.5550    0.8816 H   0  0  0  0  0
2910    1.8936   -0.5551   -0.8858 H   0  0  0  0  0
2911    1.6653    1.9789   -0.8663 H   0  0  0  0  0
2912    1.6869    1.9470    0.8971 H   0  0  0  0  0
2913    3.9876    0.6126    0.6130 H   0  0  0  0  0
2914    3.7743    3.6218   -0.0282 H   0  0  0  0  0
2915    3.5528    2.9332    1.5839 H   0  0  0  0  0
2916    5.8658    1.9815    1.5405 H   0  0  0  0  0
2917    6.0897    2.5561   -0.1174 H   0  0  0  0  0
2918    7.1268    4.1330    1.5423 H   0  0  0  0  0
2919    5.8133    4.9441    0.6777 H   0  0  0  0  0
2920    5.5609    4.3713    2.3314 H   0  0  0  0  0
2921    3.5654    1.9115   -2.1416 H   0  0  0  0  0
2922    5.1876    1.7790   -1.4477 H   0  0  0  0  0
2923    4.6716   -0.1721   -2.9156 H   0  0  0  0  0
2924    4.9332   -0.7077   -1.2491 H   0  0  0  0  0
2925    3.2882   -0.6114   -1.8970 H   0  0  0  0  0
2926  1  2  1  0  0  0
2927  1 10  1  0  0  0
2928  1 11  1  0  0  0
2929  1 12  1  0  0  0
2930  2  3  1  0  0  0
2931  2 13  1  0  0  0
2932  2 14  1  0  0  0
2933  3  4  1  0  0  0
2934  3 15  1  0  0  0
2935  3 16  1  0  0  0
2936  4  5  1  0  0  0
2937  4  8  1  0  0  0
2938  4 17  1  0  0  0
2939  5  6  1  0  0  0
2940  5 18  1  0  0  0
2941  5 19  1  0  0  0
2942  6  7  1  0  0  0
2943  6 20  1  0  0  0
2944  6 21  1  0  0  0
2945  7 22  1  0  0  0
2946  7 23  1  0  0  0
2947  7 24  1  0  0  0
2948  8  9  1  0  0  0
2949  8 25  1  0  0  0
2950  8 26  1  0  0  0
2951  9 27  1  0  0  0
2952  9 28  1  0  0  0
2953  9 29  1  0  0  0
2954M  END
2955$$$$
2956dan056.hin
2957 OpenBabel0803D
2958
2959 12 12  0  0  0  0  0  0  0  0999 V2000
2960    0.0000    0.0000    0.0000 C   0  0  0  0  0
2961    1.3911    0.0000    0.0000 C   0  0  0  0  0
2962    2.0865    1.2049    0.0000 C   0  0  0  0  0
2963    1.3907    2.4094    0.0005 C   0  0  0  0  0
2964   -0.0005    2.4093    0.0008 C   0  0  0  0  0
2965   -0.6958    1.2045    0.0005 C   0  0  0  0  0
2966   -0.5472   -0.9481   -0.0003 H   0  0  0  0  0
2967    1.9384   -0.9481   -0.0003 H   0  0  0  0  0
2968    3.1812    1.2051   -0.0004 H   0  0  0  0  0
2969    1.9379    3.3576    0.0006 H   0  0  0  0  0
2970   -0.5481    3.3572    0.0012 H   0  0  0  0  0
2971   -1.7906    1.2043    0.0005 H   0  0  0  0  0
2972  1  2  2  0  0  0
2973  1  6  1  0  0  0
2974  1  7  1  0  0  0
2975  2  3  1  0  0  0
2976  2  8  1  0  0  0
2977  3  4  2  0  0  0
2978  3  9  1  0  0  0
2979  4  5  1  0  0  0
2980  4 10  1  0  0  0
2981  5  6  2  0  0  0
2982  5 11  1  0  0  0
2983  6 12  1  0  0  0
2984M  END
2985$$$$
2986dan057.hin
2987 OpenBabel0803D
2988
2989 15 15  0  0  0  0  0  0  0  0999 V2000
2990    0.0000    0.0000    0.0000 C   0  0  0  0  0
2991    1.3900    0.0000    0.0000 C   0  0  0  0  0
2992    2.0884    1.2114    0.0000 C   0  0  0  0  0
2993    1.3846    2.4188   -0.0002 C   0  0  0  0  0
2994   -0.0058    2.4089   -0.0001 C   0  0  0  0  0
2995   -0.6987    1.2027    0.0000 C   0  0  0  0  0
2996    3.5686    1.1755   -0.0010 C   0  0  0  0  0
2997    4.2121    2.3684    0.0314 O   0  0  0  0  0
2998    4.3045    0.2020   -0.0270 O   0  0  0  0  0
2999   -0.5441   -0.9504    0.0000 H   0  0  0  0  0
3000    1.9400   -0.9496   -0.0004 H   0  0  0  0  0
3001    1.9181    3.3766   -0.0005 H   0  0  0  0  0
3002   -0.5561    3.3558   -0.0002 H   0  0  0  0  0
3003   -1.7939    1.2002    0.0001 H   0  0  0  0  0
3004    5.1520    2.2149    0.0267 H   0  0  0  0  0
3005  1  2  2  0  0  0
3006  1  6  1  0  0  0
3007  1 10  1  0  0  0
3008  2  3  1  0  0  0
3009  2 11  1  0  0  0
3010  3  4  2  0  0  0
3011  3  7  1  0  0  0
3012  4  5  1  0  0  0
3013  4 12  1  0  0  0
3014  5  6  2  0  0  0
3015  5 13  1  0  0  0
3016  6 14  1  0  0  0
3017  7  8  1  0  0  0
3018  7  9  2  0  0  0
3019  8 15  1  0  0  0
3020M  END
3021$$$$
3022dan058.hin
3023 OpenBabel0803D
3024
3025 18 18  0  0  0  0  0  0  0  0999 V2000
3026    0.0000    0.0000    0.0000 C   0  0  0  0  0
3027    1.5209    0.0000    0.0000 C   0  0  0  0  0
3028    2.0663    1.4198    0.0000 C   0  0  0  0  0
3029    1.5207    2.2135    1.1772 C   0  0  0  0  0
3030   -0.0002    2.2138    1.1763 C   0  0  0  0  0
3031   -0.5456    0.7940    1.1769 C   0  0  0  0  0
3032   -0.3762    0.4288   -0.9501 H   0  0  0  0  0
3033    1.8973   -0.5479    0.8868 H   0  0  0  0  0
3034    1.8964    1.7839    2.1271 H   0  0  0  0  0
3035   -0.3805    2.7671    2.0563 H   0  0  0  0  0
3036   -0.2800    0.2891    2.1270 H   0  0  0  0  0
3037   -0.3796   -1.0391    0.0343 H   0  0  0  0  0
3038    1.9005   -0.5526   -0.8807 H   0  0  0  0  0
3039    3.1724    1.4018    0.0341 H   0  0  0  0  0
3040    1.8006    1.9249   -0.9500 H   0  0  0  0  0
3041    1.9009    3.2524    1.1435 H   0  0  0  0  0
3042   -0.3760    2.7609    0.2888 H   0  0  0  0  0
3043   -1.6517    0.8121    1.1426 H   0  0  0  0  0
3044  1  2  1  0  0  0
3045  1  6  1  0  0  0
3046  1  7  1  0  0  0
3047  1 12  1  0  0  0
3048  2  3  1  0  0  0
3049  2  8  1  0  0  0
3050  2 13  1  0  0  0
3051  3  4  1  0  0  0
3052  3 14  1  0  0  0
3053  3 15  1  0  0  0
3054  4  5  1  0  0  0
3055  4  9  1  0  0  0
3056  4 16  1  0  0  0
3057  5  6  1  0  0  0
3058  5 10  1  0  0  0
3059  5 17  1  0  0  0
3060  6 11  1  0  0  0
3061  6 18  1  0  0  0
3062M  END
3063$$$$
3064dan059.hin
3065 OpenBabel0803D
3066
3067 32 31  0  0  0  0  0  0  0  0999 V2000
3068    0.0000    0.0000    0.0000 C   0  0  0  0  0
3069    1.5120    0.0000    0.0000 C   0  0  0  0  0
3070    2.0695    1.4145    0.0000 C   0  0  0  0  0
3071    3.5897    1.4110   -0.0001 C   0  0  0  0  0
3072    4.1460    2.8257    0.0072 C   0  0  0  0  0
3073    5.6661    2.8215    0.0032 C   0  0  0  0  0
3074    6.2231    4.2359    0.0157 C   0  0  0  0  0
3075    7.7432    4.2311    0.0109 C   0  0  0  0  0
3076    8.3027    5.6447    0.0241 C   0  0  0  0  0
3077    9.8147    5.6417    0.0232 C   0  0  0  0  0
3078   -0.3985   -1.0225   -0.0001 H   0  0  0  0  0
3079   -0.4051    0.5101    0.8842 H   0  0  0  0  0
3080   -0.4050    0.5102   -0.8841 H   0  0  0  0  0
3081    1.8902   -0.5539    0.8823 H   0  0  0  0  0
3082    1.8903   -0.5539   -0.8823 H   0  0  0  0  0
3083    1.6918    1.9688   -0.8827 H   0  0  0  0  0
3084    1.6912    1.9691    0.8823 H   0  0  0  0  0
3085    3.9670    0.8517    0.8797 H   0  0  0  0  0
3086    3.9666    0.8603   -0.8855 H   0  0  0  0  0
3087    3.7668    3.3860   -0.8713 H   0  0  0  0  0
3088    3.7709    3.3754    0.8940 H   0  0  0  0  0
3089    6.0454    2.2577    0.8794 H   0  0  0  0  0
3090    6.0407    2.2749   -0.8858 H   0  0  0  0  0
3091    5.8438    4.7997   -0.8604 H   0  0  0  0  0
3092    5.8488    4.7824    0.9048 H   0  0  0  0  0
3093    8.1232    3.6668    0.8864 H   0  0  0  0  0
3094    8.1177    3.6854   -0.8785 H   0  0  0  0  0
3095    7.9250    6.2073   -0.8529 H   0  0  0  0  0
3096    7.9256    6.1909    0.9116 H   0  0  0  0  0
3097   10.2155    6.6634    0.0314 H   0  0  0  0  0
3098   10.2194    5.1233    0.9028 H   0  0  0  0  0
3099   10.2180    5.1380   -0.8654 H   0  0  0  0  0
3100  1  2  1  0  0  0
3101  1 11  1  0  0  0
3102  1 12  1  0  0  0
3103  1 13  1  0  0  0
3104  2  3  1  0  0  0
3105  2 14  1  0  0  0
3106  2 15  1  0  0  0
3107  3  4  1  0  0  0
3108  3 16  1  0  0  0
3109  3 17  1  0  0  0
3110  4  5  1  0  0  0
3111  4 18  1  0  0  0
3112  4 19  1  0  0  0
3113  5  6  1  0  0  0
3114  5 20  1  0  0  0
3115  5 21  1  0  0  0
3116  6  7  1  0  0  0
3117  6 22  1  0  0  0
3118  6 23  1  0  0  0
3119  7  8  1  0  0  0
3120  7 24  1  0  0  0
3121  7 25  1  0  0  0
3122  8  9  1  0  0  0
3123  8 26  1  0  0  0
3124  8 27  1  0  0  0
3125  9 10  1  0  0  0
3126  9 28  1  0  0  0
3127  9 29  1  0  0  0
3128 10 30  1  0  0  0
3129 10 31  1  0  0  0
3130 10 32  1  0  0  0
3131M  END
3132$$$$
3133dan060.hin
3134 OpenBabel0803D
3135
3136  5  4  0  0  0  0  0  0  0  0999 V2000
3137    0.0000    0.0000    0.0000 C   0  0  0  0  0
3138    1.9511    0.0000    0.0000 Br  0  0  0  0  0
3139   -0.3450    1.0343    0.0000 H   0  0  0  0  0
3140   -0.3447   -0.5170   -0.8960 H   0  0  0  0  0
3141   -0.3450   -0.5175    0.8955 H   0  0  0  0  0
3142  1  2  1  0  0  0
3143  1  3  1  0  0  0
3144  1  4  1  0  0  0
3145  1  5  1  0  0  0
3146M  END
3147$$$$
3148dan061.hin
3149 OpenBabel0803D
3150
3151 13 12  0  0  0  0  0  0  0  0999 V2000
3152    0.0000    0.0000    0.0000 C   0  0  0  0  0
3153    1.5122    0.0000    0.0000 C   0  0  0  0  0
3154    2.0567    1.4244    0.0000 C   0  0  0  0  0
3155    3.5344    1.4259   -0.0710 N   0  0  0  0  0
3156   -0.3972   -1.0230    0.0048 H   0  0  0  0  0
3157   -0.4073    0.5137    0.8811 H   0  0  0  0  0
3158   -0.4054    0.5045   -0.8872 H   0  0  0  0  0
3159    1.8868   -0.5562    0.8832 H   0  0  0  0  0
3160    1.8887   -0.5551   -0.8822 H   0  0  0  0  0
3161    1.6850    1.9743   -0.8881 H   0  0  0  0  0
3162    1.6670    1.9734    0.8856 H   0  0  0  0  0
3163    3.8653    2.3660   -0.0168 H   0  0  0  0  0
3164    3.9104    0.9042    0.6935 H   0  0  0  0  0
3165  1  2  1  0  0  0
3166  1  5  1  0  0  0
3167  1  6  1  0  0  0
3168  1  7  1  0  0  0
3169  2  3  1  0  0  0
3170  2  8  1  0  0  0
3171  2  9  1  0  0  0
3172  3  4  1  0  0  0
3173  3 10  1  0  0  0
3174  3 11  1  0  0  0
3175  4 12  1  0  0  0
3176  4 13  1  0  0  0
3177M  END
3178$$$$
3179dan062.hin
3180 OpenBabel0803D
3181
3182 29 28  0  0  0  0  0  0  0  0999 V2000
3183    0.0000    0.0000    0.0000 C   0  0  0  0  0
3184    1.5122    0.0000    0.0000 C   0  0  0  0  0
3185    2.0661    1.4164    0.0000 C   0  0  0  0  0
3186    3.5982    1.4384    0.0179 C   0  0  0  0  0
3187    4.1768    2.7653   -0.5470 C   0  0  0  0  0
3188    5.7053    2.6846   -0.5619 C   0  0  0  0  0
3189    3.6969    2.9651   -1.9863 C   0  0  0  0  0
3190    3.7494    3.9685    0.2904 C   0  0  0  0  0
3191    4.1096    1.1455    1.4221 C   0  0  0  0  0
3192   -0.3983   -1.0226   -0.0006 H   0  0  0  0  0
3193   -0.4057    0.5096    0.8842 H   0  0  0  0  0
3194   -0.4051    0.5104   -0.8840 H   0  0  0  0  0
3195    1.8900   -0.5551    0.8823 H   0  0  0  0  0
3196    1.8892   -0.5543   -0.8827 H   0  0  0  0  0
3197    1.6957    1.9578   -0.9004 H   0  0  0  0  0
3198    1.6631    1.9782    0.8674 H   0  0  0  0  0
3199    3.9662    0.6264   -0.6599 H   0  0  0  0  0
3200    6.1536    3.6369   -0.8724 H   0  0  0  0  0
3201    6.0973    2.4355    0.4378 H   0  0  0  0  0
3202    6.0606    1.9093   -1.2538 H   0  0  0  0  0
3203    4.0592    3.9148   -2.4002 H   0  0  0  0  0
3204    4.0495    2.1600   -2.6445 H   0  0  0  0  0
3205    2.5958    2.9731   -2.0378 H   0  0  0  0  0
3206    4.1521    4.9035   -0.1220 H   0  0  0  0  0
3207    2.6560    4.0673    0.3232 H   0  0  0  0  0
3208    4.1064    3.8853    1.3257 H   0  0  0  0  0
3209    5.2016    1.2848    1.4826 H   0  0  0  0  0
3210    3.6561    1.8058    2.1744 H   0  0  0  0  0
3211    3.8871    0.1121    1.7188 H   0  0  0  0  0
3212  1  2  1  0  0  0
3213  1 10  1  0  0  0
3214  1 11  1  0  0  0
3215  1 12  1  0  0  0
3216  2  3  1  0  0  0
3217  2 13  1  0  0  0
3218  2 14  1  0  0  0
3219  3  4  1  0  0  0
3220  3 15  1  0  0  0
3221  3 16  1  0  0  0
3222  4  5  1  0  0  0
3223  4  9  1  0  0  0
3224  4 17  1  0  0  0
3225  5  6  1  0  0  0
3226  5  7  1  0  0  0
3227  5  8  1  0  0  0
3228  6 18  1  0  0  0
3229  6 19  1  0  0  0
3230  6 20  1  0  0  0
3231  7 21  1  0  0  0
3232  7 22  1  0  0  0
3233  7 23  1  0  0  0
3234  8 24  1  0  0  0
3235  8 25  1  0  0  0
3236  8 26  1  0  0  0
3237  9 27  1  0  0  0
3238  9 28  1  0  0  0
3239  9 29  1  0  0  0
3240M  END
3241$$$$
3242dan063.hin
3243 OpenBabel0803D
3244
3245 10 10  0  0  0  0  0  0  0  0999 V2000
3246    0.0000    0.0000    0.0000 N   0  0  0  0  0
3247    1.3969    0.0000    0.0000 C   0  0  0  0  0
3248    1.8042    1.3289    0.0000 C   0  0  0  0  0
3249    0.6422    2.1467    0.0007 C   0  0  0  0  0
3250   -0.4713    1.3150    0.0011 C   0  0  0  0  0
3251   -0.5671   -0.8058    0.0017 H   0  0  0  0  0
3252    2.0022   -0.9050   -0.0004 H   0  0  0  0  0
3253    2.8305    1.6853   -0.0004 H   0  0  0  0  0
3254    0.6313    3.2330    0.0010 H   0  0  0  0  0
3255   -1.5274    1.5795    0.0016 H   0  0  0  0  0
3256  1  2  1  0  0  0
3257  1  5  1  0  0  0
3258  1  6  1  0  0  0
3259  2  3  2  0  0  0
3260  2  7  1  0  0  0
3261  3  4  1  0  0  0
3262  3  8  1  0  0  0
3263  4  5  2  0  0  0
3264  4  9  1  0  0  0
3265  5 10  1  0  0  0
3266M  END
3267$$$$
3268dan064.hin
3269 OpenBabel0803D
3270
3271 24 26  0  0  0  0  0  0  0  0999 V2000
3272    0.0000    0.0000    0.0000 C   0  0  0  0  0
3273    1.3599    0.0000    0.0000 C   0  0  0  0  0
3274    2.0839    1.2278    0.0000 C   0  0  0  0  0
3275    1.4263    2.4182    0.0010 C   0  0  0  0  0
3276   -0.0064    2.4586    0.0018 C   0  0  0  0  0
3277   -0.7284    1.2342    0.0009 C   0  0  0  0  0
3278   -2.1252    1.2527    0.0012 C   0  0  0  0  0
3279   -2.8177    2.4657    0.0029 C   0  0  0  0  0
3280   -2.0958    3.6903    0.0044 C   0  0  0  0  0
3281   -0.6990    3.6717    0.0037 C   0  0  0  0  0
3282   -4.2504    2.5055    0.0032 C   0  0  0  0  0
3283   -4.9083    3.6956    0.0054 C   0  0  0  0  0
3284   -4.1845    4.9234    0.0073 C   0  0  0  0  0
3285   -2.8245    4.9244    0.0067 C   0  0  0  0  0
3286   -0.5654   -0.9388   -0.0005 H   0  0  0  0  0
3287    1.9207   -0.9404   -0.0004 H   0  0  0  0  0
3288    3.1781    1.1918   -0.0007 H   0  0  0  0  0
3289    1.9745    3.3671    0.0012 H   0  0  0  0  0
3290   -2.6821    0.3076    0.0001 H   0  0  0  0  0
3291   -0.1419    4.6167    0.0046 H   0  0  0  0  0
3292   -4.7981    1.5563    0.0018 H   0  0  0  0  0
3293   -6.0026    3.7315    0.0057 H   0  0  0  0  0
3294   -4.7459    5.8634    0.0092 H   0  0  0  0  0
3295   -2.2595    5.8634    0.0081 H   0  0  0  0  0
3296  1  2  2  0  0  0
3297  1  6  1  0  0  0
3298  1 15  1  0  0  0
3299  2  3  1  0  0  0
3300  2 16  1  0  0  0
3301  3  4  2  0  0  0
3302  3 17  1  0  0  0
3303  4  5  1  0  0  0
3304  4 18  1  0  0  0
3305  5  6  2  0  0  0
3306  5 10  1  0  0  0
3307  6  7  1  0  0  0
3308  7  8  2  0  0  0
3309  7 19  1  0  0  0
3310  8  9  1  0  0  0
3311  8 11  1  0  0  0
3312  9 10  2  0  0  0
3313  9 14  1  0  0  0
3314 10 20  1  0  0  0
3315 11 12  2  0  0  0
3316 11 21  1  0  0  0
3317 12 13  1  0  0  0
3318 12 22  1  0  0  0
3319 13 14  2  0  0  0
3320 13 23  1  0  0  0
3321 14 24  1  0  0  0
3322M  END
3323$$$$
3324dan065.hin
3325 OpenBabel0803D
3326
3327  8  7  0  0  0  0  0  0  0  0999 V2000
3328    0.0000    0.0000    0.0000 C   0  0  0  0  0
3329    1.4966    0.0000    0.0000 C   0  0  0  0  0
3330    2.2578    0.9517    0.0000 O   0  0  0  0  0
3331    2.0845   -1.2203    0.0035 O   0  0  0  0  0
3332   -0.4238   -1.0087   -0.0915 H   0  0  0  0  0
3333   -0.3773    0.4429    0.9313 H   0  0  0  0  0
3334   -0.3811    0.6031   -0.8346 H   0  0  0  0  0
3335    3.0314   -1.1194    0.0044 H   0  0  0  0  0
3336  1  2  1  0  0  0
3337  1  5  1  0  0  0
3338  1  6  1  0  0  0
3339  1  7  1  0  0  0
3340  2  3  2  0  0  0
3341  2  4  1  0  0  0
3342  4  8  1  0  0  0
3343M  END