3M7
  CCTOOLS-0919241044

 98103  0  0  1  0  0  0  0  0999 V2000
   30.5590   12.0420   15.1650 C   0  0  0  0  0
   29.7460   11.8950   16.2320 C   0  0  0  0  0
   31.8080   10.0210   15.6530 C   0  0  0  0  0
   31.0130   13.2010   13.0970 C   0  0  0  0  0
   30.6450   14.1530   12.2140 C   0  0  0  0  0
   29.5100   14.8940   12.4000 C   0  0  0  0  0
   29.1300   16.0400   11.2240 CL  0  0  0  0  0
   28.7270   14.6700   13.5040 C   0  0  0  0  0
   29.1060   13.7080   14.4350 C   0  0  0  0  0
   30.2340   13.0000   14.2250 C   0  0  0  0  0
   28.3300   13.4770   15.5540 C   0  0  0  0  0
   28.6810   12.5720   16.4170 N   0  0  0  0  0
   31.7140   11.2610   15.0180 O   0  0  0  0  0
   27.1810   14.2290   15.7420 O   0  0  0  0  0
   26.3570   13.9160   16.8050 C   0  0  0  0  0
   25.3680   14.9800   17.0210 C   0  0  0  0  0
   25.3790   12.8000   16.5040 C   0  0  0  0  0
   24.4520   13.3760   15.6150 C   0  0  0  0  0
   22.9720   12.9120   15.6320 C   0  0  0  0  0
   22.3050   12.9270   16.5840 O   0  0  0  0  0
   22.4100   12.4440   14.4310 N   0  0  0  0  0
   24.4910   14.7440   16.0810 N   0  0  0  0  0
   23.5890   15.7300   15.5870 C   0  0  0  0  0
   22.8550   15.4700   14.7620 O   0  0  0  0  0
   23.5860   17.1280   16.1220 C   0  0  0  0  0
   23.8610   18.0560   15.1130 N   0  0  0  0  0
   25.1220   18.6230   14.9620 C   0  0  0  0  0
   26.0190   18.0510   15.4050 O   0  0  0  0  0
   25.2470   19.1590   13.7400 O   0  0  0  0  0
   26.3550   19.9090   13.3280 C   0  0  0  0  0
   27.4350   19.0900   12.6500 C   0  0  0  0  0
   25.7520   20.7750   12.2480 C   0  0  0  0  0
   26.9550   20.7530   14.4280 C   0  0  0  0  0
   22.4910   17.5830   17.0810 C   0  0  0  0  0
   21.0970   17.0550   16.8990 C   0  0  0  0  0
   20.5040   16.1950   17.9630 C   0  0  0  0  0
   19.3350   15.3770   17.4700 C   0  0  0  0  0
   19.0440   15.3100   15.9790 C   0  0  0  0  0
   18.4910   13.9810   15.5280 C   0  0  0  0  0
   18.9930   13.2700   14.5060 C   0  0  0  0  0
   20.3050   13.6210   13.8790 C   0  0  0  0  0
   20.7680   12.6470   12.7120 C   0  0  0  0  0
   21.0490   12.2120   14.1970 C   0  0  0  0  0
   20.5130   10.7210   14.9290 C   0  0  0  0  0
   19.4210   10.5220   14.7190 O   0  0  0  0  0
   21.2410    9.8060   15.6280 N   0  0  0  0  0
   20.6400    8.5240   16.2230 S   0  0  0  0  0
   20.1560    7.6790   15.3580 O   0  0  0  0  0
   19.5480    8.9530   16.7270 O   0  0  0  0  0
   21.7330    7.8460   17.4430 C   0  0  0  0  0
   22.6770    6.9180   16.7220 C   0  0  0  0  0
   21.6180    6.3610   17.5750 C   0  0  0  0  0
   30.0140   11.1590   16.9750 H   0  0  0  0  0
   32.7800    9.5620   15.4200 H   0  0  0  0  0
   31.7190   10.1580   16.7410 H   0  0  0  0  0
   30.9990    9.3650   15.2990 H   0  0  0  0  0
   31.8990   12.6070   12.9270 H   0  0  0  0  0
   31.2580   14.3330   11.3440 H   0  0  0  0  0
   27.8200   15.2380   13.6500 H   0  0  0  0  0
   26.9180   13.7000   17.7260 H   0  0  0  0  0
   24.9120   14.9030   18.0190 H   0  0  0  0  0
   25.8220   15.9750   16.9010 H   0  0  0  0  0
   25.8930   11.9490   16.0330 H   0  0  0  0  0
   24.8780   12.4630   17.4240 H   0  0  0  0  0
   24.8240   13.3210   14.5810 H   0  0  0  0  0
   23.0390   12.2600   13.6760 H   0  0  0  0  0
   24.4860   17.1520   16.7540 H   0  0  0  0  0
   23.1310   18.3190   14.4830 H   0  0  0  0  0
   28.2660   19.7490   12.3580 H   0  0  0  0  0
   27.8030   18.3210   13.3450 H   0  0  0  0  0
   27.0190   18.6050   11.7540 H   0  0  0  0  0
   26.5280   21.4300   11.8260 H   0  0  0  0  0
   25.3400   20.1360   11.4530 H   0  0  0  0  0
   24.9470   21.3900   12.6780 H   0  0  0  0  0
   27.8170   21.3120   14.0340 H   0  0  0  0  0
   26.1990   21.4600   14.8010 H   0  0  0  0  0
   27.2860   20.1020   15.2510 H   0  0  0  0  0
   22.8130   17.3010   18.0940 H   0  0  0  0  0
   22.4330   18.6790   17.0070 H   0  0  0  0  0
   20.4350   17.9260   16.7830 H   0  0  0  0  0
   21.0940   16.4660   15.9700 H   0  0  0  0  0
   21.2800   15.5100   18.3350 H   0  0  0  0  0
   20.1600   16.8400   18.7850 H   0  0  0  0  0
   19.5010   14.3440   17.8100 H   0  0  0  0  0
   18.4340   15.7820   17.9540 H   0  0  0  0  0
   18.3110   16.0930   15.7330 H   0  0  0  0  0
   19.9800   15.5000   15.4340 H   0  0  0  0  0
   17.6410   13.5780   16.0590 H   0  0  0  0  0
   18.4370   12.4250   14.1280 H   0  0  0  0  0
   20.8230   14.5740   14.0600 H   0  0  0  0  0
   20.0130   12.1090   12.1200 H   0  0  0  0  0
   21.6060   12.9360   12.0610 H   0  0  0  0  0
   22.2170    9.9780   15.7600 H   0  0  0  0  0
   22.0500    8.5040   18.2660 H   0  0  0  0  0
   22.6150    6.8120   15.6290 H   0  0  0  0  0
   23.7290    6.8510   17.0380 H   0  0  0  0  0
   21.8810    5.8740   18.5260 H   0  0  0  0  0
   20.7670    5.8350   17.1170 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 13  1  0  0  0
  2 12  1  0  0  0
  2 53  1  0  0  0
  3 13  1  0  0  0
  3 54  1  0  0  0
  3 55  1  0  0  0
  3 56  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  4 57  1  0  0  0
  5  6  1  0  0  0
  5 58  1  0  0  0
  6  7  1  0  0  0
  6  8  2  0  0  0
  8  9  1  0  0  0
  8 59  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 17  1  0  0  0
 15 60  1  0  0  0
 16 22  1  0  0  0
 16 61  1  0  0  0
 16 62  1  0  0  0
 17 18  1  0  0  0
 17 63  1  0  0  0
 17 64  1  0  0  0
 18 19  1  0  0  0
 18 22  1  0  0  0
 18 65  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 21 43  1  0  0  0
 21 66  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 25 26  1  0  0  0
 25 34  1  0  0  0
 25 67  1  0  0  0
 26 27  1  0  0  0
 26 68  1  0  0  0
 27 28  2  0  0  0
 27 29  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
 31 69  1  0  0  0
 31 70  1  0  0  0
 31 71  1  0  0  0
 32 72  1  0  0  0
 32 73  1  0  0  0
 32 74  1  0  0  0
 33 75  1  0  0  0
 33 76  1  0  0  0
 33 77  1  0  0  0
 34 35  1  0  0  0
 34 78  1  0  0  0
 34 79  1  0  0  0
 35 36  1  0  0  0
 35 80  1  0  0  0
 35 81  1  0  0  0
 36 37  1  0  0  0
 36 82  1  0  0  0
 36 83  1  0  0  0
 37 38  1  0  0  0
 37 84  1  0  0  0
 37 85  1  0  0  0
 38 39  1  0  0  0
 38 86  1  0  0  0
 38 87  1  0  0  0
 39 40  2  0  0  0
 39 88  1  0  0  0
 40 41  1  0  0  0
 40 89  1  0  0  0
 41 42  1  0  0  0
 41 43  1  0  0  0
 41 90  1  0  0  0
 42 43  1  0  0  0
 42 91  1  0  0  0
 42 92  1  0  0  0
 43 44  1  0  0  0
 44 45  2  0  0  0
 44 46  1  0  0  0
 46 47  1  0  0  0
 46 93  1  0  0  0
 47 48  2  0  0  0
 47 49  2  0  0  0
 47 50  1  0  0  0
 50 51  1  0  0  0
 50 52  1  0  0  0
 50 94  1  0  0  0
 51 52  1  0  0  0
 51 95  1  0  0  0
 51 96  1  0  0  0
 52 97  1  0  0  0
 52 98  1  0  0  0
M  END
$$$$
