
 OpenBabel06051719483D

 18 19  0  0  0  0              2 V2000
   29.0700  -43.2240   73.7660 C   0  0  0  0  0
   36.2650  -44.8070   74.9140 C   0  0  0  0  0
   37.1260  -44.6280   73.8270 C   0  0  0  0  0
   38.5050  -44.6030   73.9960 C   0  0  0  0  0
   39.0530  -44.7650   75.2580 C   0  0  0  0  0
   38.2200  -44.9420   76.3450 C   0  0  0  0  0
   36.8400  -44.9680   76.1790 C   0  0  0  0  0
   30.0630  -44.1750   73.1160 C   0  0  0  0  0
   29.4310  -45.1480   72.1250 C   0  0  0  0  0
   32.0050  -44.9160   74.3360 C   0  0  0  0  0
   32.8370  -45.6680   73.5100 C   0  0  0  0  0
   34.2080  -45.6230   73.7110 C   0  0  0  0  0
   34.7860  -44.8390   74.7200 C   0  0  0  0  0
   33.9230  -44.0930   75.5330 C   0  0  0  0  0
   32.5490  -44.1280   75.3490 C   0  0  0  0  0
   30.2050  -45.7640   71.3670 O   0  0  0  0  0
   28.1910  -45.2760   72.1490 O   0  0  0  0  0
   30.6380  -44.9430   74.1670 O   0  0  0  0  0
  1  8  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 16  2  0  0  0
  9 17  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 10 18  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
M  CHG  1  17  -1
M  END
$$$$

 OpenBabel06051719493D

 15 15  0  0  0  0  0  0  0  0999 V2000
   43.8380  -40.5050   75.5450 C   0  0  0  0  0
   37.8220  -44.0850   71.6600 C   0  0  0  0  0
   37.5780  -43.4290   69.4150 C   0  0  0  0  0
   40.3050  -44.0100   74.8240 C   0  0  0  0  0
   42.7750  -41.1180   74.6630 C   0  0  0  0  0
   42.0430  -42.2190   75.0860 C   0  0  0  0  0
   41.0610  -42.8130   74.2970 C   0  0  0  0  0
   40.8220  -42.2590   73.0290 C   0  0  0  0  0
   41.5460  -41.1500   72.5640 C   0  0  0  0  0
   42.5160  -40.6050   73.4010 C   0  0  0  0  0
   41.3160  -40.5470   71.2050 C   0  0  0  0  0
   38.5590  -43.1100   72.5360 C   0  0  0  0  0
   39.8270  -42.8380   72.1770 N   0  0  0  0  0
   37.9900  -42.6530   73.5190 O   0  0  0  0  0
   38.3500  -44.1660   70.3600 O   0  0  0  0  0
  1  5  1  0  0  0
  2 12  1  0  0  0
  2 15  1  0  0  0
  3 15  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 12 13  1  0  0  0
 12 14  2  0  0  0
M  END
$$$$

 OpenBabel06051719503D

 15 15  0  0  0  0              2 V2000
   30.4200  -44.6760   75.3810 C   0  0  0  0  0
   34.1940  -44.4600   79.0210 C   0  0  0  0  0
   32.8220  -44.8070   75.5180 C   0  0  0  0  0
   32.9030  -44.5470   76.8690 C   0  0  0  0  0
   34.1120  -44.7350   77.5380 C   0  0  0  0  0
   35.2440  -45.1700   76.8480 C   0  0  0  0  0
   35.1680  -45.4350   75.4980 C   0  0  0  0  0
   33.9580  -45.2430   74.8220 C   0  0  0  0  0
   33.3100  -46.7470   73.1260 C   0  0  0  0  0
   37.3690  -46.4220   75.2800 C   0  0  0  0  0
   31.6970  -44.6680   74.7450 O   0  0  0  0  0
   33.8850  -45.4900   73.4700 O   0  0  0  0  0
   36.2050  -45.8370   74.6970 O   0  0  0  0  0
   35.2420  -43.9560   79.4700 O   0  0  0  0  0
   33.2140  -44.7540   79.7160 O   0  0  0  0  0
  1 11  1  0  0  0
  2  5  1  0  0  0
  2 14  2  0  0  0
  2 15  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8 12  1  0  0  0
  9 12  1  0  0  0
 10 13  1  0  0  0
M  CHG  1  15  -1
M  END
$$$$

 OpenBabel06051719513D

 14 14  0  0  0  0              2 V2000
   38.2930  -46.7110   80.9370 C   0  0  0  0  0
   36.9850  -45.5210   75.2940 C   0  0  0  0  0
   38.8660  -45.6010   80.0750 C   0  0  0  0  0
   37.8540  -45.1340   79.0500 C   0  0  0  0  0
   38.3500  -44.0300   76.8380 C   0  0  0  0  0
   37.0480  -44.5100   76.2540 C   0  0  0  0  0
   35.8360  -43.9670   76.6710 C   0  0  0  0  0
   34.6180  -44.3960   76.1610 C   0  0  0  0  0
   34.6010  -45.3970   75.2120 C   0  0  0  0  0
   35.7770  -45.9630   74.7700 C   0  0  0  0  0
   38.2970  -43.9040   78.3260 N   0  0  0  0  0
   39.3030  -44.5290   80.9000 O   0  0  0  0  0
   38.4490  -46.2630   74.7020 Cl  0  0  0  0  0
   35.8410  -42.7060   77.8780 Cl  0  0  0  0  0
  1  3  1  0  0  0
  2  6  2  0  0  0
  2 10  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 14  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
M  CHG  1  11   1
M  END
$$$$

 OpenBabel06051719513D

 15 17  0  0  0  0  0  0  0  0999 V2000
   29.2630  -45.1730   73.8460 C   0  0  0  0  0
   37.5430  -46.6210   74.5090 C   0  0  0  0  0
   38.7930  -46.0820   74.2450 C   0  0  0  0  0
   30.3800  -44.8860   74.6890 C   0  0  0  0  0
   31.5430  -45.3560   74.1430 C   0  0  0  0  0
   29.5870  -45.8960   72.7630 C   0  0  0  0  0
   32.8720  -45.3610   74.7260 C   0  0  0  0  0
   33.2370  -45.1090   76.0240 C   0  0  0  0  0
   34.5780  -45.4470   76.2870 C   0  0  0  0  0
   35.3120  -45.5650   75.1170 C   0  0  0  0  0
   36.7240  -45.5570   74.8040 C   0  0  0  0  0
   38.7610  -44.7530   74.3540 N   0  0  0  0  0
   37.4840  -44.4410   74.6930 N   0  0  0  0  0
   31.2660  -45.9980   72.5700 S   0  0  0  0  0
   34.2600  -45.7390   73.7630 S   0  0  0  0  0
  1  4  1  0  0  0
  1  6  2  0  0  0
  2  3  1  0  0  0
  2 11  2  0  0  0
  3 12  2  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5 14  1  0  0  0
  6 14  1  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 13  1  0  0  0
 12 13  1  0  0  0
M  END
$$$$
