NNI
  CCTOOLS-0919241040

 37 39  0  0  0  0  0  0  0  0999 V2000
   10.5600   65.0560   61.6220 C   0  0  0  0  0
   10.0480   65.9010   60.6420 C   0  0  0  0  0
    8.6980   66.2430   60.6460 C   0  0  0  0  0
    7.9070   67.5390   59.1910 I   0  0  0  0  0
    7.8680   65.7340   61.6390 C   0  0  0  0  0
    8.3790   64.8910   62.6170 C   0  0  0  0  0
    9.7240   64.5460   62.6080 C   0  0  0  0  0
   10.1860   63.7420   63.5620 N   0  0  0  0  0
   11.3740   63.1460   63.4940 C   0  0  0  0  0
   11.8460   62.1720   64.7160 S   0  0  0  0  0
   12.1880   63.3270   62.4190 O   0  0  0  0  0
   13.2450   62.3480   62.3980 C   0  0  0  0  0
   14.1760   62.6450   61.2160 C   0  0  0  0  0
   13.3910   62.7100   59.9720 N   0  0  0  0  0
   12.8770   63.8150   59.4460 C   0  0  0  0  0
   12.9940   64.9480   59.9140 O   0  0  0  0  0
   12.1840   63.4930   58.2850 C   0  0  0  0  0
   11.4750   64.2400   57.3550 C   0  0  0  0  0
   10.8850   63.6000   56.2720 C   0  0  0  0  0
   11.0120   62.2250   56.1160 C   0  0  0  0  0
   11.7230   61.4770   57.0460 C   0  0  0  0  0
   12.3050   62.1200   58.1300 C   0  0  0  0  0
   13.0610   61.6750   59.2040 C   0  0  0  0  0
   13.3710   60.5010   59.3990 O   0  0  0  0  0
   11.6080   64.7960   61.6160 H   0  0  0  0  0
   10.7000   66.2930   59.8750 H   0  0  0  0  0
    6.8200   65.9960   61.6500 H   0  0  0  0  0
    7.7290   64.5030   63.3870 H   0  0  0  0  0
    9.6150   63.5780   64.3660 H   0  0  0  0  0
   13.8140   62.3980   63.3380 H   0  0  0  0  0
   12.8170   61.3410   62.2900 H   0  0  0  0  0
   14.6800   63.6090   61.3810 H   0  0  0  0  0
   14.9270   61.8450   61.1330 H   0  0  0  0  0
   11.8220   60.4080   56.9270 H   0  0  0  0  0
   10.5560   61.7360   55.2680 H   0  0  0  0  0
   10.3250   64.1740   55.5480 H   0  0  0  0  0
   11.3830   65.3100   57.4720 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  2  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 23  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 17 15  1  0  0  0
 18 17  1  0  0  0
 18 37  1  0  0  0
 19 18  2  0  0  0
 19 36  1  0  0  0
 20 19  1  0  0  0
 20 35  1  0  0  0
 21 20  2  0  0  0
 21 34  1  0  0  0
 22 21  1  0  0  0
 22 17  2  0  0  0
 23 24  2  0  0  0
 23 22  1  0  0  0
M  END
$$$$
