0Q5
  CCTOOLS-0919241030

 91 95  0  0  0  0  0  0  0  0999 V2000
   -1.9570    1.1700    2.3720 O   0  0  0  0  0
   -1.4660    1.2540    1.2630 C   0  0  0  0  0
   -1.5800    2.3990    0.5610 N   0  0  0  0  0
   -2.3800    3.5280    1.0620 C   0  0  0  0  0
   -1.4320    4.7000    1.3140 C   0  0  0  0  0
   -0.5130    4.9080    0.1400 C   0  0  0  0  0
    0.0980    6.1500    0.0120 C   0  0  0  0  0
    0.9580    6.4040   -1.0360 C   0  0  0  0  0
    1.2190    5.4160   -1.9670 C   0  0  0  0  0
    0.6110    4.1830   -1.8440 C   0  0  0  0  0
   -0.2600    3.9280   -0.7940 C   0  0  0  0  0
   -0.9060    2.5720   -0.7310 C   0  0  0  0  0
   -0.7410    0.1050    0.6880 C   0  0  0  0  0
   -1.3950   -1.1310    0.5180 C   0  0  0  0  0
   -2.8110   -1.2820    0.9210 C   0  0  0  0  0
   -3.9140   -1.0610    0.1270 C   0  0  0  0  0
   -3.9030   -0.6200   -1.3140 C   0  0  0  0  0
   -3.8790   -1.8500   -2.2240 C   0  0  0  0  0
   -3.9910   -1.4060   -3.6840 C   0  0  0  0  0
   -3.9670   -2.6360   -4.5930 C   0  0  0  0  0
   -5.0070   -1.3110    0.8770 N   0  0  0  0  0
   -6.3380   -1.2070    0.4480 C   0  0  0  0  0
   -6.7480   -0.0990   -0.2810 C   0  0  0  0  0
   -8.0590   -0.0010   -0.7060 C   0  0  0  0  0
   -8.9610   -1.0050   -0.4070 C   0  0  0  0  0
   -8.5550   -2.1100    0.3190 C   0  0  0  0  0
   -7.2460   -2.2130    0.7470 C   0  0  0  0  0
   -4.5860   -1.6940    2.1550 N   0  0  0  0  0
   -3.2810   -1.6860    2.1890 C   0  0  0  0  0
   -2.4250   -2.0410    3.3780 C   0  0  0  0  0
   -2.1770   -0.8670    4.1540 O   0  0  0  0  0
   -0.7060   -2.2120   -0.0320 C   0  0  0  0  0
    0.6100   -2.0740   -0.4080 C   0  0  0  0  0
    1.2670   -0.8500   -0.2420 C   0  0  0  0  0
    0.5900    0.2390    0.3050 C   0  0  0  0  0
    2.6800   -0.7110   -0.6480 C   0  0  0  0  0
    3.2520    0.3530   -0.5040 O   0  0  0  0  0
    3.3360   -1.7620   -1.1770 N   0  0  0  0  0
    4.9200   -1.6070   -1.6330 S   0  0  0  0  0
    5.2610   -2.8820   -2.1580 O   0  0  0  0  0
    4.9370   -0.4470   -2.4540 O   0  0  0  0  0
    5.8090   -1.3000   -0.0810 C   0  0  0  0  0
    7.3020   -1.1370   -0.3720 C   0  0  0  0  0
    8.2140   -0.8220    1.2210 SI  0  0  0  0  0
   10.0320   -0.6230    0.8670 C   0  0  0  0  0
    7.5620    0.7330    2.0140 C   0  0  0  0  0
    7.9610   -2.2610    2.3770 C   0  0  0  0  0
   -3.1260    3.8110    0.3190 H   0  0  0  0  0
   -2.8740    3.2460    1.9920 H   0  0  0  0  0
   -2.0170    5.6060    1.4770 H   0  0  0  0  0
   -0.8360    4.4940    2.2030 H   0  0  0  0  0
   -0.1030    6.9230    0.7380 H   0  0  0  0  0
    1.4270    7.3720   -1.1290 H   0  0  0  0  0
    1.8940    5.6080   -2.7880 H   0  0  0  0  0
    0.8140    3.4110   -2.5720 H   0  0  0  0  0
   -0.1450    1.8010   -0.8520 H   0  0  0  0  0
   -1.6420    2.4830   -1.5300 H   0  0  0  0  0
   -4.7970   -0.0320   -1.5210 H   0  0  0  0  0
   -3.0170   -0.0120   -1.5010 H   0  0  0  0  0
   -2.9440   -2.3910   -2.0790 H   0  0  0  0  0
   -4.7180   -2.5010   -1.9760 H   0  0  0  0  0
   -4.9260   -0.8650   -3.8290 H   0  0  0  0  0
   -3.1520   -0.7550   -3.9310 H   0  0  0  0  0
   -3.0320   -3.1780   -4.4490 H   0  0  0  0  0
   -4.8060   -3.2870   -4.3460 H   0  0  0  0  0
   -4.0470   -2.3210   -5.6340 H   0  0  0  0  0
   -6.0440    0.6860   -0.5140 H   0  0  0  0  0
   -8.3790    0.8610   -1.2730 H   0  0  0  0  0
   -9.9850   -0.9270   -0.7410 H   0  0  0  0  0
   -9.2620   -2.8920    0.5520 H   0  0  0  0  0
   -6.9280   -3.0790    1.3100 H   0  0  0  0  0
   -2.9420   -2.7790    3.9900 H   0  0  0  0  0
   -1.4770   -2.4540    3.0330 H   0  0  0  0  0
   -1.6310   -1.0210    4.9370 H   0  0  0  0  0
   -1.2070   -3.1600   -0.1620 H   0  0  0  0  0
    1.1380   -2.9150   -0.8330 H   0  0  0  0  0
    1.0970    1.1850    0.4280 H   0  0  0  0  0
    2.8790   -2.6110   -1.2920 H   0  0  0  0  0
    5.4270   -0.3900    0.3830 H   0  0  0  0  0
    5.6600   -2.1420    0.5950 H   0  0  0  0  0
    7.6830   -2.0460   -0.8360 H   0  0  0  0  0
    7.4500   -0.2940   -1.0480 H   0  0  0  0  0
   10.4140   -1.5320    0.4030 H   0  0  0  0  0
   10.1810    0.2200    0.1910 H   0  0  0  0  0
   10.5660   -0.4380    1.7990 H   0  0  0  0  0
    8.0960    0.9180    2.9460 H   0  0  0  0  0
    7.7100    1.5750    1.3370 H   0  0  0  0  0
    6.4980    0.6170    2.2210 H   0  0  0  0  0
    8.3420   -3.1710    1.9130 H   0  0  0  0  0
    8.4950   -2.0760    3.3090 H   0  0  0  0  0
    6.8970   -2.3770    2.5840 H   0  0  0  0  0
  2  1  2  0  0  0
  3  2  1  0  0  0
  4  3  1  0  0  0
  4 48  1  0  0  0
  4 49  1  0  0  0
  5  4  1  0  0  0
  5 50  1  0  0  0
  5 51  1  0  0  0
  6  5  1  0  0  0
  6 11  2  0  0  0
  7  6  1  0  0  0
  7 52  1  0  0  0
  8  7  2  0  0  0
  8  9  1  0  0  0
  8 53  1  0  0  0
  9 10  2  0  0  0
  9 54  1  0  0  0
 10 11  1  0  0  0
 10 55  1  0  0  0
 11 12  1  0  0  0
 12  3  1  0  0  0
 12 56  1  0  0  0
 12 57  1  0  0  0
 13 35  1  0  0  0
 13  2  1  0  0  0
 14 13  2  0  0  0
 15 14  1  0  0  0
 15 29  1  0  0  0
 16 21  1  0  0  0
 16 15  2  0  0  0
 17 16  1  0  0  0
 17 58  1  0  0  0
 17 59  1  0  0  0
 18 17  1  0  0  0
 18 60  1  0  0  0
 18 61  1  0  0  0
 19 18  1  0  0  0
 19 62  1  0  0  0
 19 63  1  0  0  0
 20 19  1  0  0  0
 20 64  1  0  0  0
 20 65  1  0  0  0
 20 66  1  0  0  0
 21 28  1  0  0  0
 22 27  1  0  0  0
 22 21  1  0  0  0
 23 22  2  0  0  0
 23 67  1  0  0  0
 24 25  2  0  0  0
 24 23  1  0  0  0
 24 68  1  0  0  0
 25 26  1  0  0  0
 25 69  1  0  0  0
 26 27  2  0  0  0
 26 70  1  0  0  0
 27 71  1  0  0  0
 28 29  2  0  0  0
 29 30  1  0  0  0
 30 72  1  0  0  0
 30 73  1  0  0  0
 31 30  1  0  0  0
 31 74  1  0  0  0
 32 33  2  0  0  0
 32 14  1  0  0  0
 32 75  1  0  0  0
 33 34  1  0  0  0
 33 76  1  0  0  0
 34 36  1  0  0  0
 34 35  2  0  0  0
 35 77  1  0  0  0
 36 37  2  0  0  0
 38 36  1  0  0  0
 38 39  1  0  0  0
 38 78  1  0  0  0
 39 41  2  0  0  0
 40 39  2  0  0  0
 42 43  1  0  0  0
 42 39  1  0  0  0
 42 79  1  0  0  0
 42 80  1  0  0  0
 43 81  1  0  0  0
 43 82  1  0  0  0
 44 47  1  0  0  0
 44 43  1  0  0  0
 45 44  1  0  0  0
 45 83  1  0  0  0
 45 84  1  0  0  0
 45 85  1  0  0  0
 46 44  1  0  0  0
 46 86  1  0  0  0
 46 87  1  0  0  0
 46 88  1  0  0  0
 47 89  1  0  0  0
 47 90  1  0  0  0
 47 91  1  0  0  0
M  END
$$$$
