LIW
  CCTOOLS-0919241030

 93 98  0  0  0  0  0  0  0  0999 V2000
    2.0490   -1.8070    2.7170 C   0  0  0  0  0
    1.7380   -0.6940    1.9100 C   0  0  0  0  0
    1.2380    0.4620    2.5410 C   0  0  0  0  0
    1.0570    0.5040    3.9240 C   0  0  0  0  0
    1.3720   -0.6090    4.7030 C   0  0  0  0  0
    1.8680   -1.7650    4.0990 C   0  0  0  0  0
    1.9200   -0.7370    0.5230 N   0  0  0  0  0
    1.1820   -0.5650    6.1440 C   0  0  0  0  0
    2.0290   -1.4240    6.9380 N   0  0  0  0  0
    1.9980   -1.5520    8.6480 S   0  0  0  0  0
    0.6680   -2.6920    8.8800 C   0  0  0  0  0
    2.2380    0.4940   -0.2070 C   0  0  0  0  0
    2.8810    0.1680   -1.5570 C   0  0  0  0  0
    2.0430   -0.7560   -2.3310 N   0  0  0  0  0
    1.8630   -2.0090   -1.5870 C   0  0  0  0  0
    1.1850   -1.7540   -0.2390 C   0  0  0  0  0
    2.6400   -1.0170   -3.6400 C   0  0  0  0  0
    0.3330    0.1690    6.6710 O   0  0  0  0  0
    3.2040   -2.2180    9.0990 O   0  0  0  0  0
    1.6040   -0.2760    9.2140 O   0  0  0  0  0
   -0.6210   -2.2090    9.0240 C   0  0  0  0  0
   -1.6700   -3.1100    9.2070 C   0  0  0  0  0
   -1.4140   -4.4800    9.2440 C   0  0  0  0  0
   -0.1090   -4.9500    9.0980 C   0  0  0  0  0
    0.9400   -4.0490    8.9140 C   0  0  0  0  0
   -2.9920   -2.6040    9.3540 N   0  3  0  0  0
   -3.1730   -1.3640    9.3140 O   0  5  0  0  0
   -3.9350   -3.4130    9.5180 O   0  0  0  0  0
   -2.4590   -5.4130    9.4290 N   0  0  0  0  0
   -2.7710   -6.4260    8.4700 C   0  0  0  0  0
   -4.2760   -6.7200    8.5680 C   0  0  0  0  0
   -2.4540   -5.9080    7.0520 C   0  0  0  0  0
   -2.8270   -7.0730    5.6990 S   0  0  0  0  0
   -2.3250   -6.0930    4.3200 C   0  0  0  0  0
   -1.8140   -4.8000    4.5110 C   0  0  0  0  0
   -1.4160   -4.0250    3.4210 C   0  0  0  0  0
   -1.5250   -4.5340    2.1270 C   0  0  0  0  0
   -2.0320   -5.8170    1.9230 C   0  0  0  0  0
   -2.4290   -6.5920    3.0120 C   0  0  0  0  0
   -1.9930   -7.7010    8.8240 C   0  0  0  0  0
    4.0880    1.6900   -5.8760 C   0  0  0  0  0
    3.0220    2.5890   -5.9220 C   0  0  0  0  0
    1.8440    2.3100   -5.2290 C   0  0  0  0  0
    1.7310    1.1330   -4.4900 C   0  0  0  0  0
    2.7980    0.2390   -4.4470 C   0  0  0  0  0
    3.9750    0.5130   -5.1360 C   0  0  0  0  0
    6.0720   -0.2760   -4.1170 C   0  0  0  0  0
    7.1520   -1.1590   -4.0870 C   0  0  0  0  0
    7.2540   -2.1690   -5.0430 C   0  0  0  0  0
    6.2770   -2.2960   -6.0310 C   0  0  0  0  0
    5.1970   -1.4130   -6.0610 C   0  0  0  0  0
    5.0970   -0.4050   -5.1040 C   0  0  0  0  0
    2.4350   -2.7130    2.2560 H   0  0  0  0  0
    0.9890    1.3350    1.9430 H   0  0  0  0  0
    0.6690    1.4100    4.3830 H   0  0  0  0  0
    2.1170   -2.6380    4.6960 H   0  0  0  0  0
    2.7080   -2.0080    6.4360 H   0  0  0  0  0
    2.9350    1.1090    0.3760 H   0  0  0  0  0
    1.3220    1.0810   -0.3510 H   0  0  0  0  0
    3.0130    1.1040   -2.1130 H   0  0  0  0  0
    3.8800   -0.2610   -1.3970 H   0  0  0  0  0
    2.8300   -2.5040   -1.4280 H   0  0  0  0  0
    1.2350   -2.6970   -2.1660 H   0  0  0  0  0
    0.1500   -1.4220   -0.3880 H   0  0  0  0  0
    1.1520   -2.6970    0.3210 H   0  0  0  0  0
    2.0020   -1.7360   -4.1650 H   0  0  0  0  0
    3.6080   -1.5020   -3.4750 H   0  0  0  0  0
   -0.8170   -1.1390    8.9940 H   0  0  0  0  0
    0.1030   -6.0160    9.1250 H   0  0  0  0  0
    1.9530   -4.4260    8.8010 H   0  0  0  0  0
   -2.9880   -5.3370   10.2760 H   0  0  0  0  0
   -4.5730   -7.5070    7.8660 H   0  0  0  0  0
   -4.5530   -7.0470    9.5770 H   0  0  0  0  0
   -4.8710   -5.8270    8.3430 H   0  0  0  0  0
   -3.0200   -4.9910    6.8530 H   0  0  0  0  0
   -1.3900   -5.6580    6.9690 H   0  0  0  0  0
   -1.7210   -4.3870    5.5130 H   0  0  0  0  0
   -1.0220   -3.0260    3.5800 H   0  0  0  0  0
   -1.2160   -3.9300    1.2790 H   0  0  0  0  0
   -2.1160   -6.2130    0.9150 H   0  0  0  0  0
   -2.8220   -7.5900    2.8330 H   0  0  0  0  0
   -0.9130   -7.5260    8.8760 H   0  0  0  0  0
   -2.1740   -8.4910    8.0880 H   0  0  0  0  0
   -2.2930   -8.0840    9.8070 H   0  0  0  0  0
    4.9990    1.9230   -6.4210 H   0  0  0  0  0
    3.1090    3.5060   -6.4970 H   0  0  0  0  0
    1.0140    3.0100   -5.2650 H   0  0  0  0  0
    0.8090    0.9250   -3.9530 H   0  0  0  0  0
    6.0050    0.5060   -3.3640 H   0  0  0  0  0
    7.9120   -1.0600   -3.3180 H   0  0  0  0  0
    8.0950   -2.8560   -5.0200 H   0  0  0  0  0
    6.3570   -3.0820   -6.7760 H   0  0  0  0  0
    4.4440   -1.5240   -6.8370 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  2  0  0  0
  1 53  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 54  1  0  0  0
  4  5  2  0  0  0
  4 55  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6 56  1  0  0  0
  7 12  1  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  8 18  2  0  0  0
  9 10  1  0  0  0
  9 57  1  0  0  0
 10 19  2  0  0  0
 10 11  1  0  0  0
 10 20  2  0  0  0
 11 21  1  0  0  0
 11 25  2  0  0  0
 12 13  1  0  0  0
 12 58  1  0  0  0
 12 59  1  0  0  0
 13 14  1  0  0  0
 13 60  1  0  0  0
 13 61  1  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 62  1  0  0  0
 15 63  1  0  0  0
 16 64  1  0  0  0
 16 65  1  0  0  0
 17 45  1  0  0  0
 17 66  1  0  0  0
 17 67  1  0  0  0
 21 22  2  0  0  0
 21 68  1  0  0  0
 22 26  1  0  0  0
 22 23  1  0  0  0
 23 29  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 69  1  0  0  0
 25 70  1  0  0  0
 26 27  1  0  0  0
 26 28  2  0  0  0
 29 30  1  0  0  0
 29 71  1  0  0  0
 30 40  1  0  0  0
 30 32  1  0  0  0
 30 31  1  0  0  0
 31 72  1  0  0  0
 31 73  1  0  0  0
 31 74  1  0  0  0
 32 33  1  0  0  0
 32 75  1  0  0  0
 32 76  1  0  0  0
 33 34  1  0  0  0
 34 35  2  0  0  0
 34 39  1  0  0  0
 35 36  1  0  0  0
 35 77  1  0  0  0
 36 37  2  0  0  0
 36 78  1  0  0  0
 37 38  1  0  0  0
 37 79  1  0  0  0
 38 39  2  0  0  0
 38 80  1  0  0  0
 39 81  1  0  0  0
 40 82  1  0  0  0
 40 83  1  0  0  0
 40 84  1  0  0  0
 41 46  2  0  0  0
 41 42  1  0  0  0
 41 85  1  0  0  0
 42 43  2  0  0  0
 42 86  1  0  0  0
 43 44  1  0  0  0
 43 87  1  0  0  0
 44 45  2  0  0  0
 44 88  1  0  0  0
 45 46  1  0  0  0
 46 52  1  0  0  0
 47 48  2  0  0  0
 47 52  1  0  0  0
 47 89  1  0  0  0
 48 49  1  0  0  0
 48 90  1  0  0  0
 49 50  2  0  0  0
 49 91  1  0  0  0
 50 51  1  0  0  0
 50 92  1  0  0  0
 51 52  2  0  0  0
 51 93  1  0  0  0
M  CHG  1  26   1
M  CHG  1  27  -1
M  END
$$$$
