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/data/set3/all.sdf

http://github.com/rajarshi/cdkr
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   1dan001.hin
   2 OpenBabel0803D
   3
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  11  1  3  1  0  0  0
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  13  1  5  1  0  0  0
  14M  END
  15$$$$
  16dan002.hin
  17 OpenBabel0803D
  18
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  34  2  8  1  0  0  0
  35M  END
  36$$$$
  37dan003.hin
  38 OpenBabel0803D
  39
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  60  3 10  1  0  0  0
  61  3 11  1  0  0  0
  62M  END
  63$$$$
  64dan004.hin
  65 OpenBabel0803D
  66
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  75    1.8910   -0.5537    0.8820 H   0  0  0  0  0
  76    1.8907   -0.5534   -0.8822 H   0  0  0  0  0
  77    1.6907    1.9679   -0.8813 H   0  0  0  0  0
  78    1.6931    1.9670    0.8829 H   0  0  0  0  0
  79    3.9819    2.4361    0.0023 H   0  0  0  0  0
  80    3.9891    0.8990    0.8786 H   0  0  0  0  0
  81    3.9863    0.9079   -0.8895 H   0  0  0  0  0
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  83  1  5  1  0  0  0
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  91  3 11  1  0  0  0
  92  4 12  1  0  0  0
  93  4 13  1  0  0  0
  94  4 14  1  0  0  0
  95M  END
  96$$$$
  97dan005.hin
  98 OpenBabel0803D
  99
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 101    0.0000    0.0000    0.0000 C   0  0  0  0  0
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 104    2.0520   -0.7679   -1.1982 C   0  0  0  0  0
 105   -0.3994   -1.0222    0.0252 H   0  0  0  0  0
 106   -0.3997    0.5333    0.8723 H   0  0  0  0  0
 107    1.8723   -0.5088    0.9302 H   0  0  0  0  0
 108    3.1494    1.4392    0.0263 H   0  0  0  0  0
 109    1.7369    1.9722   -0.8976 H   0  0  0  0  0
 110    1.6917    1.9846    0.8717 H   0  0  0  0  0
 111   -0.4038    0.4884   -0.8971 H   0  0  0  0  0
 112    3.1493   -0.7957   -1.1994 H   0  0  0  0  0
 113    1.6946   -1.8059   -1.1983 H   0  0  0  0  0
 114    1.7339   -0.3109   -2.1450 H   0  0  0  0  0
 115  1  2  1  0  0  0
 116  1  5  1  0  0  0
 117  1  6  1  0  0  0
 118  1 11  1  0  0  0
 119  2  3  1  0  0  0
 120  2  4  1  0  0  0
 121  2  7  1  0  0  0
 122  3  8  1  0  0  0
 123  3  9  1  0  0  0
 124  3 10  1  0  0  0
 125  4 12  1  0  0  0
 126  4 13  1  0  0  0
 127  4 14  1  0  0  0
 128M  END
 129$$$$
 130dan006.hin
 131 OpenBabel0803D
 132
 133 17 16  0  0  0  0  0  0  0  0999 V2000
 134    0.0000    0.0000    0.0000 C   0  0  0  0  0
 135    1.5120    0.0000    0.0000 C   0  0  0  0  0
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 137    3.5893    1.4144    0.0022 C   0  0  0  0  0
 138    4.1433    2.8212    0.0023 C   0  0  0  0  0
 139   -0.3986   -1.0225    0.0013 H   0  0  0  0  0
 140   -0.4053    0.5114    0.8834 H   0  0  0  0  0
 141   -0.4050    0.5090   -0.8848 H   0  0  0  0  0
 142    1.8905   -0.5540    0.8821 H   0  0  0  0  0
 143    1.8903   -0.5536   -0.8824 H   0  0  0  0  0
 144    1.6925    1.9688   -0.8832 H   0  0  0  0  0
 145    1.6901    1.9699    0.8816 H   0  0  0  0  0
 146    3.9647    0.8595    0.8851 H   0  0  0  0  0
 147    3.9671    0.8592   -0.8794 H   0  0  0  0  0
 148    5.2407    2.8177    0.0046 H   0  0  0  0  0
 149    3.8188    3.3843   -0.8829 H   0  0  0  0  0
 150    3.8151    3.3858    0.8853 H   0  0  0  0  0
 151  1  2  1  0  0  0
 152  1  6  1  0  0  0
 153  1  7  1  0  0  0
 154  1  8  1  0  0  0
 155  2  3  1  0  0  0
 156  2  9  1  0  0  0
 157  2 10  1  0  0  0
 158  3  4  1  0  0  0
 159  3 11  1  0  0  0
 160  3 12  1  0  0  0
 161  4  5  1  0  0  0
 162  4 13  1  0  0  0
 163  4 14  1  0  0  0
 164  5 15  1  0  0  0
 165  5 16  1  0  0  0
 166  5 17  1  0  0  0
 167M  END
 168$$$$
 169dan007.hin
 170 OpenBabel0803D
 171
 172 17 16  0  0  0  0  0  0  0  0999 V2000
 173    0.0000    0.0000    0.0000 C   0  0  0  0  0
 174    1.5124    0.0000    0.0000 C   0  0  0  0  0
 175    2.0985    1.4133    0.0000 C   0  0  0  0  0
 176    3.5699    1.3710   -0.3815 C   0  0  0  0  0
 177    1.9315    2.0792    1.3563 C   0  0  0  0  0
 178   -0.3964   -1.0234    0.0068 H   0  0  0  0  0
 179   -0.4079    0.5154    0.8808 H   0  0  0  0  0
 180   -0.4060    0.5033   -0.8878 H   0  0  0  0  0
 181    1.8932   -0.5627    0.8757 H   0  0  0  0  0
 182    1.8792   -0.5505   -0.8896 H   0  0  0  0  0
 183    1.5531    2.0212   -0.7633 H   0  0  0  0  0
 184    4.0116    2.3761   -0.3766 H   0  0  0  0  0
 185    4.1503    0.7537    0.3174 H   0  0  0  0  0
 186    3.7141    0.9534   -1.3866 H   0  0  0  0  0
 187    2.3186    3.1064    1.3461 H   0  0  0  0  0
 188    0.8745    2.1271    1.6520 H   0  0  0  0  0
 189    2.4683    1.5334    2.1440 H   0  0  0  0  0
 190  1  2  1  0  0  0
 191  1  6  1  0  0  0
 192  1  7  1  0  0  0
 193  1  8  1  0  0  0
 194  2  3  1  0  0  0
 195  2  9  1  0  0  0
 196  2 10  1  0  0  0
 197  3  4  1  0  0  0
 198  3  5  1  0  0  0
 199  3 11  1  0  0  0
 200  4 12  1  0  0  0
 201  4 13  1  0  0  0
 202  4 14  1  0  0  0
 203  5 15  1  0  0  0
 204  5 16  1  0  0  0
 205  5 17  1  0  0  0
 206M  END
 207$$$$
 208dan008.hin
 209 OpenBabel0803D
 210
 211 17 16  0  0  0  0  0  0  0  0999 V2000
 212    0.0000    0.0000    0.0000 C   0  0  0  0  0
 213    1.5266    0.0000    0.0000 C   0  0  0  0  0
 214    2.0356    1.4393    0.0000 C   0  0  0  0  0
 215    2.0354   -0.7197    1.2465 C   0  0  0  0  0
 216    2.0355   -0.7198   -1.2464 C   0  0  0  0  0
 217   -0.3993   -1.0228    0.0014 H   0  0  0  0  0
 218   -0.3995    0.5126    0.8850 H   0  0  0  0  0
 219   -0.3993    0.5100   -0.8866 H   0  0  0  0  0
 220    3.1330    1.4749    0.0019 H   0  0  0  0  0
 221    1.6881    1.9856   -0.8868 H   0  0  0  0  0
 222    1.6849    1.9870    0.8847 H   0  0  0  0  0
 223    3.1328   -0.7378    1.2773 H   0  0  0  0  0
 224    1.6866   -0.2258    2.1630 H   0  0  0  0  0
 225    1.6861   -1.7601    1.2776 H   0  0  0  0  0
 226    3.1329   -0.7376   -1.2772 H   0  0  0  0  0
 227    1.6865   -1.7604   -1.2769 H   0  0  0  0  0
 228    1.6865   -0.2266   -2.1631 H   0  0  0  0  0
 229  1  2  1  0  0  0
 230  1  6  1  0  0  0
 231  1  7  1  0  0  0
 232  1  8  1  0  0  0
 233  2  3  1  0  0  0
 234  2  4  1  0  0  0
 235  2  5  1  0  0  0
 236  3  9  1  0  0  0
 237  3 10  1  0  0  0
 238  3 11  1  0  0  0
 239  4 12  1  0  0  0
 240  4 13  1  0  0  0
 241  4 14  1  0  0  0
 242  5 15  1  0  0  0
 243  5 16  1  0  0  0
 244  5 17  1  0  0  0
 245M  END
 246$$$$
 247dan009.hin
 248 OpenBabel0803D
 249
 250 20 19  0  0  0  0  0  0  0  0999 V2000
 251    0.0000    0.0000    0.0000 C   0  0  0  0  0
 252    1.5119    0.0000    0.0000 C   0  0  0  0  0
 253    2.0691    1.4146    0.0000 C   0  0  0  0  0
 254    3.5889    1.4122   -0.0031 C   0  0  0  0  0
 255    4.1463    2.8266    0.0024 C   0  0  0  0  0
 256    5.6583    2.8261   -0.0038 C   0  0  0  0  0
 257   -0.3986   -1.0224    0.0030 H   0  0  0  0  0
 258   -0.4052    0.5128    0.8825 H   0  0  0  0  0
 259   -0.4050    0.5075   -0.8856 H   0  0  0  0  0
 260    1.8905   -0.5539    0.8821 H   0  0  0  0  0
 261    1.8902   -0.5537   -0.8823 H   0  0  0  0  0
 262    1.6891    1.9696   -0.8814 H   0  0  0  0  0
 263    1.6924    1.9683    0.8836 H   0  0  0  0  0
 264    3.9691    0.8535    0.8759 H   0  0  0  0  0
 265    3.9652    0.8619   -0.8890 H   0  0  0  0  0
 266    3.7645    3.3852   -0.8754 H   0  0  0  0  0
 267    3.7715    3.3757    0.8891 H   0  0  0  0  0
 268    6.0574    3.8483    0.0038 H   0  0  0  0  0
 269    6.0668    2.3076    0.8739 H   0  0  0  0  0
 270    6.0593    2.3237   -0.8942 H   0  0  0  0  0
 271  1  2  1  0  0  0
 272  1  7  1  0  0  0
 273  1  8  1  0  0  0
 274  1  9  1  0  0  0
 275  2  3  1  0  0  0
 276  2 10  1  0  0  0
 277  2 11  1  0  0  0
 278  3  4  1  0  0  0
 279  3 12  1  0  0  0
 280  3 13  1  0  0  0
 281  4  5  1  0  0  0
 282  4 14  1  0  0  0
 283  4 15  1  0  0  0
 284  5  6  1  0  0  0
 285  5 16  1  0  0  0
 286  5 17  1  0  0  0
 287  6 18  1  0  0  0
 288  6 19  1  0  0  0
 289  6 20  1  0  0  0
 290M  END
 291$$$$
 292dan010.hin
 293 OpenBabel0803D
 294
 295 20 19  0  0  0  0  0  0  0  0999 V2000
 296    0.0000    0.0000    0.0000 C   0  0  0  0  0
 297    1.5191    0.0000    0.0000 C   0  0  0  0  0
 298    2.0534    1.4333    0.0000 C   0  0  0  0  0
 299    3.5616    1.4659    0.1950 C   0  0  0  0  0
 300    4.1196    2.8581    0.0135 C   0  0  0  0  0
 301    2.0517   -0.7685   -1.1990 C   0  0  0  0  0
 302   -0.3963   -1.0237   -0.0040 H   0  0  0  0  0
 303   -0.4022    0.5070    0.8868 H   0  0  0  0  0
 304    1.8740   -0.5062    0.9314 H   0  0  0  0  0
 305    1.7821    1.9333   -0.9519 H   0  0  0  0  0
 306    1.5565    2.0203    0.7980 H   0  0  0  0  0
 307    3.8208    1.0801    1.2007 H   0  0  0  0  0
 308    5.2058    2.8753    0.1688 H   0  0  0  0  0
 309    3.9263    3.2446   -0.9961 H   0  0  0  0  0
 310    3.6744    3.5671    0.7242 H   0  0  0  0  0
 311   -0.4049    0.5124   -0.8833 H   0  0  0  0  0
 312    3.1473   -0.6599   -1.2664 H   0  0  0  0  0
 313    1.8188   -1.8380   -1.1295 H   0  0  0  0  0
 314    1.6270   -0.3973   -2.1411 H   0  0  0  0  0
 315    4.0324    0.7576   -0.5249 H   0  0  0  0  0
 316  1  2  1  0  0  0
 317  1  7  1  0  0  0
 318  1  8  1  0  0  0
 319  1 16  1  0  0  0
 320  2  3  1  0  0  0
 321  2  6  1  0  0  0
 322  2  9  1  0  0  0
 323  3  4  1  0  0  0
 324  3 10  1  0  0  0
 325  3 11  1  0  0  0
 326  4  5  1  0  0  0
 327  4 12  1  0  0  0
 328  4 20  1  0  0  0
 329  5 13  1  0  0  0
 330  5 14  1  0  0  0
 331  5 15  1  0  0  0
 332  6 17  1  0  0  0
 333  6 18  1  0  0  0
 334  6 19  1  0  0  0
 335M  END
 336$$$$
 337dan011.hin
 338 OpenBabel0803D
 339
 340 20 19  0  0  0  0  0  0  0  0999 V2000
 341    0.0000    0.0000    0.0000 C   0  0  0  0  0
 342    1.5130    0.0000    0.0000 C   0  0  0  0  0
 343    2.0766    1.4242    0.0000 C   0  0  0  0  0
 344    3.5930    1.3899    0.1964 C   0  0  0  0  0
 345    4.1643    2.7477    0.5391 C   0  0  0  0  0
 346    1.6995    2.1329   -1.2920 C   0  0  0  0  0
 347   -0.4037   -1.0079   -0.1533 H   0  0  0  0  0
 348   -0.4067    0.3794    0.9464 H   0  0  0  0  0
 349   -0.3879    0.6475   -0.8047 H   0  0  0  0  0
 350    1.8882   -0.5555    0.8824 H   0  0  0  0  0
 351    1.8942   -0.5494   -0.8838 H   0  0  0  0  0
 352    1.6204    1.9794    0.8569 H   0  0  0  0  0
 353    3.8445    0.6738    1.0049 H   0  0  0  0  0
 354    4.0808    0.9911   -0.7155 H   0  0  0  0  0
 355    5.2483    2.6913    0.7019 H   0  0  0  0  0
 356    3.9922    3.4781   -0.2632 H   0  0  0  0  0
 357    3.7159    3.1578    1.4539 H   0  0  0  0  0
 358    1.9272    3.2055   -1.2501 H   0  0  0  0  0
 359    2.2314    1.7151   -2.1571 H   0  0  0  0  0
 360    0.6191    2.0224   -1.4855 H   0  0  0  0  0
 361  1  2  1  0  0  0
 362  1  7  1  0  0  0
 363  1  8  1  0  0  0
 364  1  9  1  0  0  0
 365  2  3  1  0  0  0
 366  2 10  1  0  0  0
 367  2 11  1  0  0  0
 368  3  4  1  0  0  0
 369  3  6  1  0  0  0
 370  3 12  1  0  0  0
 371  4  5  1  0  0  0
 372  4 13  1  0  0  0
 373  4 14  1  0  0  0
 374  5 15  1  0  0  0
 375  5 16  1  0  0  0
 376  5 17  1  0  0  0
 377  6 18  1  0  0  0
 378  6 19  1  0  0  0
 379  6 20  1  0  0  0
 380M  END
 381$$$$
 382dan012.hin
 383 OpenBabel0803D
 384
 385 20 19  0  0  0  0  0  0  0  0999 V2000
 386    0.0000    0.0000    0.0000 C   0  0  0  0  0
 387    1.5134    0.0000    0.0000 C   0  0  0  0  0
 388    2.0954    1.4253    0.0000 C   0  0  0  0  0
 389    3.6205    1.3466   -0.0007 C   0  0  0  0  0
 390    1.6286    2.1675   -1.2510 C   0  0  0  0  0
 391    1.6296    2.1673    1.2515 C   0  0  0  0  0
 392   -0.4087   -1.0162    0.0028 H   0  0  0  0  0
 393   -0.3895    0.5336    0.8828 H   0  0  0  0  0
 394   -0.3893    0.5287   -0.8857 H   0  0  0  0  0
 395    1.8921   -0.5504    0.8840 H   0  0  0  0  0
 396    1.8919   -0.5502   -0.8842 H   0  0  0  0  0
 397    4.0674    2.3494    0.0015 H   0  0  0  0  0
 398    3.9968    0.8145    0.8832 H   0  0  0  0  0
 399    3.9961    0.8188   -0.8875 H   0  0  0  0  0
 400    1.8896    3.2325   -1.2132 H   0  0  0  0  0
 401    2.0820    1.7462   -2.1580 H   0  0  0  0  0
 402    0.5349    2.0857   -1.3641 H   0  0  0  0  0
 403    1.8898    3.2324    1.2134 H   0  0  0  0  0
 404    0.5360    2.0848    1.3659 H   0  0  0  0  0
 405    2.0845    1.7462    2.1578 H   0  0  0  0  0
 406  1  2  1  0  0  0
 407  1  7  1  0  0  0
 408  1  8  1  0  0  0
 409  1  9  1  0  0  0
 410  2  3  1  0  0  0
 411  2 10  1  0  0  0
 412  2 11  1  0  0  0
 413  3  4  1  0  0  0
 414  3  5  1  0  0  0
 415  3  6  1  0  0  0
 416  4 12  1  0  0  0
 417  4 13  1  0  0  0
 418  4 14  1  0  0  0
 419  5 15  1  0  0  0
 420  5 16  1  0  0  0
 421  5 17  1  0  0  0
 422  6 18  1  0  0  0
 423  6 19  1  0  0  0
 424  6 20  1  0  0  0
 425M  END
 426$$$$
 427dan013.hin
 428 OpenBabel0803D
 429
 430 20 19  0  0  0  0  0  0  0  0999 V2000
 431    0.0000    0.0000    0.0000 C   0  0  0  0  0
 432    1.5214    0.0000    0.0000 C   0  0  0  0  0
 433    2.0755    1.4380    0.0000 C   0  0  0  0  0
 434    3.5969    1.4380   -0.0008 C   0  0  0  0  0
 435    1.5684    2.2194   -1.2029 C   0  0  0  0  0
 436    2.0279   -0.7815    1.2030 C   0  0  0  0  0
 437   -0.3985   -1.0116   -0.1450 H   0  0  0  0  0
 438   -0.4064    0.3834    0.9458 H   0  0  0  0  0
 439   -0.3945    0.6400   -0.8061 H   0  0  0  0  0
 440    1.8798   -0.5034   -0.9314 H   0  0  0  0  0
 441    1.7172    1.9413    0.9316 H   0  0  0  0  0
 442    3.9956    2.4489    0.1489 H   0  0  0  0  0
 443    3.9920    0.7941    0.8019 H   0  0  0  0  0
 444    4.0026    1.0593   -0.9487 H   0  0  0  0  0
 445    1.8387    3.2801   -1.1318 H   0  0  0  0  0
 446    1.9855    1.8339   -2.1431 H   0  0  0  0  0
 447    0.4710    2.1523   -1.2828 H   0  0  0  0  0
 448    3.1252   -0.7150    1.2832 H   0  0  0  0  0
 449    1.6106   -0.3956    2.1430 H   0  0  0  0  0
 450    1.7572   -1.8421    1.1321 H   0  0  0  0  0
 451  1  2  1  0  0  0
 452  1  7  1  0  0  0
 453  1  8  1  0  0  0
 454  1  9  1  0  0  0
 455  2  3  1  0  0  0
 456  2  6  1  0  0  0
 457  2 10  1  0  0  0
 458  3  4  1  0  0  0
 459  3  5  1  0  0  0
 460  3 11  1  0  0  0
 461  4 12  1  0  0  0
 462  4 13  1  0  0  0
 463  4 14  1  0  0  0
 464  5 15  1  0  0  0
 465  5 16  1  0  0  0
 466  5 17  1  0  0  0
 467  6 18  1  0  0  0
 468  6 19  1  0  0  0
 469  6 20  1  0  0  0
 470M  END
 471$$$$
 472dan014.hin
 473 OpenBabel0803D
 474
 475 23 22  0  0  0  0  0  0  0  0999 V2000
 476    0.0000    0.0000    0.0000 C   0  0  0  0  0
 477    1.5120    0.0000    0.0000 C   0  0  0  0  0
 478    2.0690    1.4147    0.0000 C   0  0  0  0  0
 479    3.5890    1.4124    0.0005 C   0  0  0  0  0
 480    4.1441    2.8274   -0.0002 C   0  0  0  0  0
 481    5.6645    2.8271    0.0023 C   0  0  0  0  0
 482    6.2186    4.2339    0.0008 C   0  0  0  0  0
 483   -0.3985   -1.0225    0.0030 H   0  0  0  0  0
 484   -0.4053    0.5128    0.8825 H   0  0  0  0  0
 485   -0.4050    0.5074   -0.8857 H   0  0  0  0  0
 486    1.8904   -0.5538    0.8822 H   0  0  0  0  0
 487    1.8903   -0.5538   -0.8823 H   0  0  0  0  0
 488    1.6910    1.9687   -0.8829 H   0  0  0  0  0
 489    1.6902    1.9693    0.8822 H   0  0  0  0  0
 490    3.9663    0.8581    0.8835 H   0  0  0  0  0
 491    3.9668    0.8572   -0.8817 H   0  0  0  0  0
 492    3.7685    3.3814   -0.8841 H   0  0  0  0  0
 493    3.7654    3.3838    0.8809 H   0  0  0  0  0
 494    6.0396    2.2734    0.8860 H   0  0  0  0  0
 495    6.0423    2.2707   -0.8785 H   0  0  0  0  0
 496    7.3160    4.2301    0.0041 H   0  0  0  0  0
 497    5.8950    4.7957   -0.8855 H   0  0  0  0  0
 498    5.8897    4.7998    0.8827 H   0  0  0  0  0
 499  1  2  1  0  0  0
 500  1  8  1  0  0  0
 501  1  9  1  0  0  0
 502  1 10  1  0  0  0
 503  2  3  1  0  0  0
 504  2 11  1  0  0  0
 505  2 12  1  0  0  0
 506  3  4  1  0  0  0
 507  3 13  1  0  0  0
 508  3 14  1  0  0  0
 509  4  5  1  0  0  0
 510  4 15  1  0  0  0
 511  4 16  1  0  0  0
 512  5  6  1  0  0  0
 513  5 17  1  0  0  0
 514  5 18  1  0  0  0
 515  6  7  1  0  0  0
 516  6 19  1  0  0  0
 517  6 20  1  0  0  0
 518  7 21  1  0  0  0
 519  7 22  1  0  0  0
 520  7 23  1  0  0  0
 521M  END
 522$$$$
 523dan015.hin
 524 OpenBabel0803D
 525
 526 23 22  0  0  0  0  0  0  0  0999 V2000
 527    0.0000    0.0000    0.0000 C   0  0  0  0  0
 528    1.5120    0.0000    0.0000 C   0  0  0  0  0
 529    2.0683    1.4136    0.0000 C   0  0  0  0  0
 530    3.5890    1.4181    0.0144 C   0  0  0  0  0
 531    4.1457    2.8305   -0.1742 C   0  0  0  0  0
 532    5.6503    2.8396    0.0352 C   0  0  0  0  0
 533    3.7971    3.3619   -1.5555 C   0  0  0  0  0
 534   -0.3986   -1.0224    0.0002 H   0  0  0  0  0
 535   -0.4055    0.5105    0.8837 H   0  0  0  0  0
 536   -0.4045    0.5100   -0.8844 H   0  0  0  0  0
 537    1.8915   -0.5524    0.8826 H   0  0  0  0  0
 538    1.8897   -0.5546   -0.8821 H   0  0  0  0  0
 539    1.7128    1.9735   -0.8958 H   0  0  0  0  0
 540    1.6782    1.9748    0.8725 H   0  0  0  0  0
 541    3.9597    0.9920    0.9679 H   0  0  0  0  0
 542    3.9804    0.7535   -0.7825 H   0  0  0  0  0
 543    3.6765    3.4971    0.5909 H   0  0  0  0  0
 544    6.0638    3.8470   -0.1031 H   0  0  0  0  0
 545    5.9175    2.5083    1.0472 H   0  0  0  0  0
 546    6.1616    2.1745   -0.6739 H   0  0  0  0  0
 547    4.0411    4.4268   -1.6522 H   0  0  0  0  0
 548    4.3377    2.8248   -2.3460 H   0  0  0  0  0
 549    2.7187    3.2381   -1.7515 H   0  0  0  0  0
 550  1  2  1  0  0  0
 551  1  8  1  0  0  0
 552  1  9  1  0  0  0
 553  1 10  1  0  0  0
 554  2  3  1  0  0  0
 555  2 11  1  0  0  0
 556  2 12  1  0  0  0
 557  3  4  1  0  0  0
 558  3 13  1  0  0  0
 559  3 14  1  0  0  0
 560  4  5  1  0  0  0
 561  4 15  1  0  0  0
 562  4 16  1  0  0  0
 563  5  6  1  0  0  0
 564  5  7  1  0  0  0
 565  5 17  1  0  0  0
 566  6 18  1  0  0  0
 567  6 19  1  0  0  0
 568  6 20  1  0  0  0
 569  7 21  1  0  0  0
 570  7 22  1  0  0  0
 571  7 23  1  0  0  0
 572M  END
 573$$$$
 574dan016.hin
 575 OpenBabel0803D
 576
 577 23 22  0  0  0  0  0  0  0  0999 V2000
 578    0.0000    0.0000    0.0000 C   0  0  0  0  0
 579    1.5109    0.0000    0.0000 C   0  0  0  0  0
 580    2.0738    1.4133    0.0000 C   0  0  0  0  0
 581    3.5945    1.4136    0.1786 C   0  0  0  0  0
 582    4.1469    2.8247   -0.0310 C   0  0  0  0  0
 583    5.6489    2.8390   -0.2079 C   0  0  0  0  0
 584    3.9596    0.8740    1.5532 C   0  0  0  0  0
 585   -0.3981   -1.0226   -0.0080 H   0  0  0  0  0
 586   -0.4062    0.5033    0.8875 H   0  0  0  0  0
 587   -0.4038    0.5169   -0.8807 H   0  0  0  0  0
 588    1.9023   -0.5451    0.8893 H   0  0  0  0  0
 589    1.8913   -0.5575   -0.8786 H   0  0  0  0  0
 590    1.8018    1.9226   -0.9463 H   0  0  0  0  0
 591    1.6031    2.0105    0.8071 H   0  0  0  0  0
 592    4.0381    0.7413   -0.5973 H   0  0  0  0  0
 593    3.6706    3.2791   -0.9234 H   0  0  0  0  0
 594    3.8579    3.4717    0.8214 H   0  0  0  0  0
 595    6.0178    3.8588   -0.3767 H   0  0  0  0  0
 596    6.1689    2.4458    0.6764 H   0  0  0  0  0
 597    5.9623    2.2303   -1.0667 H   0  0  0  0  0
 598    5.0385    0.6985    1.6488 H   0  0  0  0  0
 599    3.6641    1.5647    2.3543 H   0  0  0  0  0
 600    3.4427   -0.0830    1.7371 H   0  0  0  0  0
 601  1  2  1  0  0  0
 602  1  8  1  0  0  0
 603  1  9  1  0  0  0
 604  1 10  1  0  0  0
 605  2  3  1  0  0  0
 606  2 11  1  0  0  0
 607  2 12  1  0  0  0
 608  3  4  1  0  0  0
 609  3 13  1  0  0  0
 610  3 14  1  0  0  0
 611  4  5  1  0  0  0
 612  4  7  1  0  0  0
 613  4 15  1  0  0  0
 614  5  6  1  0  0  0
 615  5 16  1  0  0  0
 616  5 17  1  0  0  0
 617  6 18  1  0  0  0
 618  6 19  1  0  0  0
 619  6 20  1  0  0  0
 620  7 21  1  0  0  0
 621  7 22  1  0  0  0
 622  7 23  1  0  0  0
 623M  END
 624$$$$
 625dan017.hin
 626 OpenBabel0803D
 627
 628 23 22  0  0  0  0  0  0  0  0999 V2000
 629    0.0000    0.0000    0.0000 C   0  0  0  0  0
 630    1.5094    0.0000    0.0000 C   0  0  0  0  0
 631    2.0770    1.4118    0.0000 C   0  0  0  0  0
 632    3.6161    1.4229    0.0031 C   0  0  0  0  0
 633    4.1066    2.8695    0.0026 C   0  0  0  0  0
 634    4.1328    0.7176    1.2559 C   0  0  0  0  0
 635    4.1376    0.7152   -1.2464 C   0  0  0  0  0
 636   -0.3975   -1.0228    0.0026 H   0  0  0  0  0
 637   -0.4048    0.5125    0.8828 H   0  0  0  0  0
 638   -0.4046    0.5078   -0.8856 H   0  0  0  0  0
 639    1.9072   -0.5502    0.8827 H   0  0  0  0  0
 640    1.9074   -0.5503   -0.8825 H   0  0  0  0  0
 641    1.7067    1.9663   -0.8856 H   0  0  0  0  0
 642    1.7030    1.9680    0.8831 H   0  0  0  0  0
 643    5.2035    2.9142    0.0059 H   0  0  0  0  0
 644    3.7558    3.4133   -0.8846 H   0  0  0  0  0
 645    3.7503    3.4158    0.8862 H   0  0  0  0  0
 646    5.2199    0.5731    1.2221 H   0  0  0  0  0
 647    3.9019    1.2934    2.1620 H   0  0  0  0  0
 648    3.6586   -0.2716    1.3676 H   0  0  0  0  0
 649    5.2243    0.5689   -1.2071 H   0  0  0  0  0
 650    3.6622   -0.2734   -1.3590 H   0  0  0  0  0
 651    3.9122    1.2899   -2.1545 H   0  0  0  0  0
 652  1  2  1  0  0  0
 653  1  8  1  0  0  0
 654  1  9  1  0  0  0
 655  1 10  1  0  0  0
 656  2  3  1  0  0  0
 657  2 11  1  0  0  0
 658  2 12  1  0  0  0
 659  3  4  1  0  0  0
 660  3 13  1  0  0  0
 661  3 14  1  0  0  0
 662  4  5  1  0  0  0
 663  4  6  1  0  0  0
 664  4  7  1  0  0  0
 665  5 15  1  0  0  0
 666  5 16  1  0  0  0
 667  5 17  1  0  0  0
 668  6 18  1  0  0  0
 669  6 19  1  0  0  0
 670  6 20  1  0  0  0
 671  7 21  1  0  0  0
 672  7 22  1  0  0  0
 673  7 23  1  0  0  0
 674M  END
 675$$$$
 676dan018.hin
 677 OpenBabel0803D
 678
 679 23 22  0  0  0  0  0  0  0  0999 V2000
 680    0.0000    0.0000    0.0000 C   0  0  0  0  0
 681    1.5120    0.0000    0.0000 C   0  0  0  0  0
 682    2.0971    1.4162    0.0000 C   0  0  0  0  0
 683    3.5707    1.4101    0.4564 C   0  0  0  0  0
 684    4.1489    2.8182    0.4545 C   0  0  0  0  0
 685    3.7238    0.8136    1.8476 C   0  0  0  0  0
 686    1.9713    2.0292   -1.3881 C   0  0  0  0  0
 687   -0.3953   -1.0239    0.0084 H   0  0  0  0  0
 688   -0.4064    0.5157    0.8804 H   0  0  0  0  0
 689   -0.4094    0.5009   -0.8880 H   0  0  0  0  0
 690    1.8812   -0.5533    0.8928 H   0  0  0  0  0
 691    1.8935   -0.5656   -0.8735 H   0  0  0  0  0
 692    1.5187    2.0426    0.7237 H   0  0  0  0  0
 693    4.1485    0.7840   -0.2672 H   0  0  0  0  0
 694    5.2291    2.8053    0.6455 H   0  0  0  0  0
 695    3.9823    3.3151   -0.5151 H   0  0  0  0  0
 696    3.6840    3.4479    1.2251 H   0  0  0  0  0
 697    4.7805    0.7362    2.1324 H   0  0  0  0  0
 698    3.2194    1.4243    2.6086 H   0  0  0  0  0
 699    3.2870   -0.1969    1.8985 H   0  0  0  0  0
 700    2.4663    3.0132   -1.4323 H   0  0  0  0  0
 701    2.4386    1.3977   -2.1559 H   0  0  0  0  0
 702    0.9201    2.1698   -1.6710 H   0  0  0  0  0
 703  1  2  1  0  0  0
 704  1  8  1  0  0  0
 705  1  9  1  0  0  0
 706  1 10  1  0  0  0
 707  2  3  1  0  0  0
 708  2 11  1  0  0  0
 709  2 12  1  0  0  0
 710  3  4  1  0  0  0
 711  3  7  1  0  0  0
 712  3 13  1  0  0  0
 713  4  5  1  0  0  0
 714  4  6  1  0  0  0
 715  4 14  1  0  0  0
 716  5 15  1  0  0  0
 717  5 16  1  0  0  0
 718  5 17  1  0  0  0
 719  6 18  1  0  0  0
 720  6 19  1  0  0  0
 721  6 20  1  0  0  0
 722  7 21  1  0  0  0
 723  7 22  1  0  0  0
 724  7 23  1  0  0  0
 725M  END
 726$$$$
 727dan019.hin
 728 OpenBabel0803D
 729
 730 23 22  0  0  0  0  0  0  0  0999 V2000
 731    0.0000    0.0000    0.0000 C   0  0  0  0  0
 732    1.5217    0.0000    0.0000 C   0  0  0  0  0
 733    2.0505    1.4383    0.0000 C   0  0  0  0  0
 734    3.4380    1.5801   -0.6346 C   0  0  0  0  0
 735    3.6205    2.9853   -1.1893 C   0  0  0  0  0
 736    4.5461    1.2748    0.3603 C   0  0  0  0  0
 737    2.0335   -0.7880    1.1949 C   0  0  0  0  0
 738   -0.3976   -1.0230    0.0276 H   0  0  0  0  0
 739   -0.4037    0.5326    0.8716 H   0  0  0  0  0
 740   -0.4048    0.4848   -0.8981 H   0  0  0  0  0
 741    1.8706   -0.5076   -0.9336 H   0  0  0  0  0
 742    1.3369    2.0797   -0.5582 H   0  0  0  0  0
 743    2.0607    1.8409    1.0328 H   0  0  0  0  0
 744    3.5166    0.8566   -1.4839 H   0  0  0  0  0
 745    4.6189    3.1132   -1.6279 H   0  0  0  0  0
 746    2.8865    3.2090   -1.9746 H   0  0  0  0  0
 747    3.5062    3.7464   -0.4058 H   0  0  0  0  0
 748    5.5340    1.3215   -0.1156 H   0  0  0  0  0
 749    4.5490    1.9879    1.1957 H   0  0  0  0  0
 750    4.4298    0.2665    0.7896 H   0  0  0  0  0
 751    3.1350   -0.7900    1.2292 H   0  0  0  0  0
 752    1.6772   -0.3637    2.1433 H   0  0  0  0  0
 753    1.7004   -1.8331    1.1565 H   0  0  0  0  0
 754  1  2  1  0  0  0
 755  1  8  1  0  0  0
 756  1  9  1  0  0  0
 757  1 10  1  0  0  0
 758  2  3  1  0  0  0
 759  2  7  1  0  0  0
 760  2 11  1  0  0  0
 761  3  4  1  0  0  0
 762  3 12  1  0  0  0
 763  3 13  1  0  0  0
 764  4  5  1  0  0  0
 765  4  6  1  0  0  0
 766  4 14  1  0  0  0
 767  5 15  1  0  0  0
 768  5 16  1  0  0  0
 769  5 17  1  0  0  0
 770  6 18  1  0  0  0
 771  6 19  1  0  0  0
 772  6 20  1  0  0  0
 773  7 21  1  0  0  0
 774  7 22  1  0  0  0
 775  7 23  1  0  0  0
 776M  END
 777$$$$
 778dan020.hin
 779 OpenBabel0803D
 780
 781 23 22  0  0  0  0  0  0  0  0999 V2000
 782    0.0000    0.0000    0.0000 C   0  0  0  0  0
 783    1.5123    0.0000    0.0000 C   0  0  0  0  0
 784    2.1513    1.4011    0.0000 C   0  0  0  0  0
 785    3.6849    1.2213    0.0009 C   0  0  0  0  0
 786    4.4243    2.5417    0.0012 C   0  0  0  0  0
 787    1.7416    2.1737   -1.2530 C   0  0  0  0  0
 788    1.7400    2.1744    1.2521 C   0  0  0  0  0
 789   -0.3909   -1.0258    0.0023 H   0  0  0  0  0
 790   -0.4102    0.5080    0.8834 H   0  0  0  0  0
 791   -0.4098    0.5039   -0.8860 H   0  0  0  0  0
 792    1.8775   -0.5626    0.8835 H   0  0  0  0  0
 793    1.8774   -0.5625   -0.8835 H   0  0  0  0  0
 794    3.9839    0.6240    0.8852 H   0  0  0  0  0
 795    3.9848    0.6245   -0.8834 H   0  0  0  0  0
 796    5.5106    2.4005    0.0012 H   0  0  0  0  0
 797    4.1527    3.1413   -0.8834 H   0  0  0  0  0
 798    4.1526    3.1413    0.8859 H   0  0  0  0  0
 799    2.3802    3.0632   -1.3856 H   0  0  0  0  0
 800    1.8484    1.5573   -2.1554 H   0  0  0  0  0
 801    0.6989    2.5134   -1.2049 H   0  0  0  0  0
 802    2.3803    3.0624    1.3868 H   0  0  0  0  0
 803    0.6983    2.5167    1.2012 H   0  0  0  0  0
 804    1.8430    1.5573    2.1544 H   0  0  0  0  0
 805  1  2  1  0  0  0
 806  1  8  1  0  0  0
 807  1  9  1  0  0  0
 808  1 10  1  0  0  0
 809  2  3  1  0  0  0
 810  2 11  1  0  0  0
 811  2 12  1  0  0  0
 812  3  4  1  0  0  0
 813  3  6  1  0  0  0
 814  3  7  1  0  0  0
 815  4  5  1  0  0  0
 816  4 13  1  0  0  0
 817  4 14  1  0  0  0
 818  5 15  1  0  0  0
 819  5 16  1  0  0  0
 820  5 17  1  0  0  0
 821  6 18  1  0  0  0
 822  6 19  1  0  0  0
 823  6 20  1  0  0  0
 824  7 21  1  0  0  0
 825  7 22  1  0  0  0
 826  7 23  1  0  0  0
 827M  END
 828$$$$
 829dan021.hin
 830 OpenBabel0803D
 831
 832 23 22  0  0  0  0  0  0  0  0999 V2000
 833    0.0000    0.0000    0.0000 C   0  0  0  0  0
 834    1.5130    0.0000    0.0000 C   0  0  0  0  0
 835    2.0863    1.4214    0.0000 C   0  0  0  0  0
 836    3.6043    1.3838    0.2251 C   0  0  0  0  0
 837    4.0565    2.3879    1.2629 C   0  0  0  0  0
 838    1.7217    2.1252   -1.3105 C   0  0  0  0  0
 839    1.9537    3.6176   -1.2643 C   0  0  0  0  0
 840   -0.4026   -1.0123   -0.1248 H   0  0  0  0  0
 841   -0.4070    0.4055    0.9355 H   0  0  0  0  0
 842   -0.3898    0.6230   -0.8228 H   0  0  0  0  0
 843    1.8844   -0.5532    0.8857 H   0  0  0  0  0
 844    1.8932   -0.5547   -0.8809 H   0  0  0  0  0
 845    1.6071    1.9818    0.8419 H   0  0  0  0  0
 846    3.9226    0.3696    0.5418 H   0  0  0  0  0
 847    4.1389    1.5684   -0.7288 H   0  0  0  0  0
 848    5.1461    2.3621    1.3928 H   0  0  0  0  0
 849    3.7835    3.4145    0.9804 H   0  0  0  0  0
 850    3.6054    2.1897    2.2444 H   0  0  0  0  0
 851    2.2874    1.6780   -2.1523 H   0  0  0  0  0
 852    0.6489    1.9181   -1.5316 H   0  0  0  0  0
 853    1.6248    4.0982   -2.1945 H   0  0  0  0  0
 854    1.4054    4.0895   -0.4378 H   0  0  0  0  0
 855    3.0173    3.8594   -1.1289 H   0  0  0  0  0
 856  1  2  1  0  0  0
 857  1  8  1  0  0  0
 858  1  9  1  0  0  0
 859  1 10  1  0  0  0
 860  2  3  1  0  0  0
 861  2 11  1  0  0  0
 862  2 12  1  0  0  0
 863  3  4  1  0  0  0
 864  3  6  1  0  0  0
 865  3 13  1  0  0  0
 866  4  5  1  0  0  0
 867  4 14  1  0  0  0
 868  4 15  1  0  0  0
 869  5 16  1  0  0  0
 870  5 17  1  0  0  0
 871  5 18  1  0  0  0
 872  6  7  1  0  0  0
 873  6 19  1  0  0  0
 874  6 20  1  0  0  0
 875  7 21  1  0  0  0
 876  7 22  1  0  0  0
 877  7 23  1  0  0  0
 878M  END
 879$$$$
 880dan022.hin
 881 OpenBabel0803D
 882
 883 23 22  0  0  0  0  0  0  0  0999 V2000
 884    0.0000    0.0000    0.0000 C   0  0  0  0  0
 885    1.5213    0.0000    0.0000 C   0  0  0  0  0
 886    2.1122    1.4360    0.0000 C   0  0  0  0  0
 887    3.6379    1.3448   -0.0771 C   0  0  0  0  0
 888    1.6066    2.2067   -1.2191 C   0  0  0  0  0
 889    1.7108    2.1809    1.2725 C   0  0  0  0  0
 890    2.0370   -0.8008    1.1867 C   0  0  0  0  0
 891   -0.3968   -0.9987   -0.2210 H   0  0  0  0  0
 892   -0.4098    0.3089    0.9715 H   0  0  0  0  0
 893   -0.3939    0.6978   -0.7573 H   0  0  0  0  0
 894    1.8691   -0.4943   -0.9411 H   0  0  0  0  0
 895    4.1083    2.3286    0.0458 H   0  0  0  0  0
 896    4.0304    0.6777    0.7081 H   0  0  0  0  0
 897    3.9681    0.9386   -1.0426 H   0  0  0  0  0
 898    1.9123    3.2596   -1.1792 H   0  0  0  0  0
 899    1.9938    1.7820   -2.1549 H   0  0  0  0  0
 900    0.5058    2.1733   -1.2766 H   0  0  0  0  0
 901    2.2916    3.1028    1.4042 H   0  0  0  0  0
 902    0.6486    2.4600    1.2563 H   0  0  0  0  0
 903    1.8703    1.5456    2.1597 H   0  0  0  0  0
 904    3.1369   -0.8686    1.1637 H   0  0  0  0  0
 905    1.7681   -0.3071    2.1357 H   0  0  0  0  0
 906    1.6283   -1.8174    1.1990 H   0  0  0  0  0
 907  1  2  1  0  0  0
 908  1  8  1  0  0  0
 909  1  9  1  0  0  0
 910  1 10  1  0  0  0
 911  2  3  1  0  0  0
 912  2  7  1  0  0  0
 913  2 11  1  0  0  0
 914  3  4  1  0  0  0
 915  3  5  1  0  0  0
 916  3  6  1  0  0  0
 917  4 12  1  0  0  0
 918  4 13  1  0  0  0
 919  4 14  1  0  0  0
 920  5 15  1  0  0  0
 921  5 16  1  0  0  0
 922  5 17  1  0  0  0
 923  6 18  1  0  0  0
 924  6 19  1  0  0  0
 925  6 20  1  0  0  0
 926  7 21  1  0  0  0
 927  7 22  1  0  0  0
 928  7 23  1  0  0  0
 929M  END
 930$$$$
 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

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