TM3
  CCTOOLS-0919241034

 83 87  0  0  0  0  0  0  0  0999 V2000
   10.2000    1.7730   -0.4090 C   0  0  0  0  0
    8.8390    2.0440   -1.0560 C   0  0  0  0  0
    7.7810    1.4560   -0.2220 N   0  0  0  0  0
    7.8140    2.0180    1.1350 C   0  0  0  0  0
    9.1850    1.7480    1.7600 C   0  0  0  0  0
   10.2030    2.3000    0.9210 O   0  0  0  0  0
    6.4600    1.6440   -0.8380 C   0  0  0  0  0
    5.4220    0.8130   -0.0820 C   0  0  0  0  0
    4.0470    1.0090   -0.7230 C   0  0  0  0  0
    3.0520    0.2130    0.0010 N   0  0  0  0  0
    1.7320    0.2300   -0.3980 C   0  0  0  0  0
    1.2600    0.9200   -1.4060 N   0  0  0  0  0
   -0.0780    0.7060   -1.5180 C   0  0  0  0  0
   -0.4410   -0.1840   -0.4950 C   0  0  0  0  0
    0.7240   -0.4740    0.1960 N   0  0  0  0  0
   -1.7620   -0.5870   -0.3640 C   0  0  0  0  0
   -2.7150   -0.1100   -1.2400 C   0  0  0  0  0
   -2.3620    0.7700   -2.2520 C   0  0  0  0  0
   -1.0550    1.1800   -2.3970 C   0  0  0  0  0
    0.8510   -1.3670    1.3500 C   0  0  0  0  0
    1.2650   -2.7390    0.8810 C   0  0  0  0  0
    0.3000   -3.7120    0.6680 C   0  0  0  0  0
    0.6960   -4.9730    0.2350 C   0  0  0  0  0
    2.0470   -5.2060    0.0340 C   0  0  0  0  0
    2.9500   -4.1850    0.2670 C   0  0  0  0  0
    2.5410   -2.9990    0.6720 N   0  0  0  0  0
   -1.0140   -3.4370    0.8800 O   0  0  0  0  0
    4.4210   -4.4300    0.0510 C   0  0  0  0  0
   -4.1500   -0.5490   -1.0960 C   0  0  0  0  0
   -4.8560    0.3760   -0.2060 N   0  0  0  0  0
   -6.2080    0.1730    0.0800 C   0  0  0  0  0
   -6.8840   -0.9050   -0.4780 C   0  0  0  0  0
   -8.2210   -1.1020   -0.1920 C   0  0  0  0  0
   -8.8860   -0.2290    0.6490 C   0  0  0  0  0
   -8.2170    0.8450    1.2060 C   0  0  0  0  0
   -6.8780    1.0450    0.9290 C   0  0  0  0  0
   -8.9550   -2.2710   -0.7970 C   0  0  0  0  0
   -6.1480    2.2120    1.5410 C   0  0  0  0  0
   -6.1560    3.3890    0.5640 C   0  0  0  0  0
   -5.4140    4.5740    1.1860 C   0  0  0  0  0
   -5.4220    5.6730    0.2730 O   0  0  0  0  0
   10.3800    0.6990   -0.3750 H   0  0  0  0  0
   10.9830    2.2570   -0.9930 H   0  0  0  0  0
    8.6820    3.1190   -1.1380 H   0  0  0  0  0
    8.8130    1.5940   -2.0490 H   0  0  0  0  0
    7.6410    3.0930    1.0880 H   0  0  0  0  0
    7.0380    1.5510    1.7420 H   0  0  0  0  0
    9.2340    2.2130    2.7450 H   0  0  0  0  0
    9.3350    0.6730    1.8580 H   0  0  0  0  0
    6.1850    2.6970   -0.7930 H   0  0  0  0  0
    6.4950    1.3210   -1.8790 H   0  0  0  0  0
    5.6970   -0.2410   -0.1270 H   0  0  0  0  0
    5.3860    1.1350    0.9590 H   0  0  0  0  0
    3.7710    2.0620   -0.6780 H   0  0  0  0  0
    4.0820    0.6870   -1.7640 H   0  0  0  0  0
    3.3220   -0.3260    0.7610 H   0  0  0  0  0
   -2.0430   -1.2720    0.4220 H   0  0  0  0  0
   -3.1170    1.1360   -2.9310 H   0  0  0  0  0
   -0.7870    1.8650   -3.1870 H   0  0  0  0  0
    1.6040   -0.9740    2.0330 H   0  0  0  0  0
   -0.1070   -1.4340    1.8650 H   0  0  0  0  0
   -0.0310   -5.7520    0.0610 H   0  0  0  0  0
    2.3910   -6.1730   -0.3020 H   0  0  0  0  0
   -1.4940   -3.1720    0.0830 H   0  0  0  0  0
    4.6830   -4.1830   -0.9780 H   0  0  0  0  0
    4.9980   -3.8050    0.7320 H   0  0  0  0  0
    4.6470   -5.4790    0.2410 H   0  0  0  0  0
   -4.6290   -0.5490   -2.0750 H   0  0  0  0  0
   -6.3650   -1.5870   -1.1350 H   0  0  0  0  0
   -9.9320   -0.3850    0.8700 H   0  0  0  0  0
   -8.7390    1.5250    1.8620 H   0  0  0  0  0
   -8.8730   -3.1340   -0.1350 H   0  0  0  0  0
  -10.0050   -2.0120   -0.9280 H   0  0  0  0  0
   -8.5170   -2.5140   -1.7650 H   0  0  0  0  0
   -6.6420    2.5050    2.4670 H   0  0  0  0  0
   -5.1180    1.9250    1.7550 H   0  0  0  0  0
   -5.6610    3.0960   -0.3620 H   0  0  0  0  0
   -7.1860    3.6770    0.3500 H   0  0  0  0  0
   -5.9090    4.8670    2.1120 H   0  0  0  0  0
   -4.3850    4.2860    1.3990 H   0  0  0  0  0
   -4.9680    6.4610    0.6020 H   0  0  0  0  0
   -4.3850    1.1280    0.1840 H   0  0  0  0  0
   -4.1820   -1.5540   -0.6760 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  2  3  1  0  0  0
  2 44  1  0  0  0
  2 45  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  4 46  1  0  0  0
  4 47  1  0  0  0
  5  4  1  0  0  0
  5 48  1  0  0  0
  5 49  1  0  0  0
  6  5  1  0  0  0
  7  8  1  0  0  0
  7 50  1  0  0  0
  7 51  1  0  0  0
  8  9  1  0  0  0
  8 52  1  0  0  0
  8 53  1  0  0  0
  9 10  1  0  0  0
  9 54  1  0  0  0
  9 55  1  0  0  0
 10 11  1  0  0  0
 10 56  1  0  0  0
 11 15  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 19  1  0  0  0
 14 13  2  0  0  0
 14 16  1  0  0  0
 15 14  1  0  0  0
 16 17  2  0  0  0
 16 57  1  0  0  0
 17 18  1  0  0  0
 17 29  1  0  0  0
 18 58  1  0  0  0
 19 18  2  0  0  0
 19 59  1  0  0  0
 20 15  1  0  0  0
 20 21  1  0  0  0
 20 60  1  0  0  0
 20 61  1  0  0  0
 21 26  1  0  0  0
 22 21  2  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 62  1  0  0  0
 24 25  1  0  0  0
 24 63  1  0  0  0
 25 28  1  0  0  0
 26 25  2  0  0  0
 27 22  1  0  0  0
 27 64  1  0  0  0
 28 65  1  0  0  0
 28 66  1  0  0  0
 28 67  1  0  0  0
 29 68  1  0  0  0
 29 83  1  0  0  0
 30 29  1  0  0  0
 30 31  1  0  0  0
 30 82  1  0  0  0
 31 32  1  0  0  0
 32 33  2  0  0  0
 32 69  1  0  0  0
 33 37  1  0  0  0
 34 33  1  0  0  0
 34 70  1  0  0  0
 35 34  2  0  0  0
 35 71  1  0  0  0
 36 31  2  0  0  0
 36 35  1  0  0  0
 37 72  1  0  0  0
 37 73  1  0  0  0
 37 74  1  0  0  0
 38 36  1  0  0  0
 38 75  1  0  0  0
 38 76  1  0  0  0
 39 38  1  0  0  0
 39 40  1  0  0  0
 39 77  1  0  0  0
 39 78  1  0  0  0
 40 79  1  0  0  0
 40 80  1  0  0  0
 41 40  1  0  0  0
 41 81  1  0  0  0
M  END
$$$$
