90I
  CCTOOLS-1004241119

 75 78  0  0  1  0  0  0  0  0999 V2000
   -8.8040   -2.4240   -1.5680 C   0  0  0  0  0
   -8.7190   -2.1810   -0.2090 C   0  0  0  0  0
   -7.6520   -1.4640    0.2990 C   0  0  0  0  0
   -6.6700   -0.9890   -0.5510 C   0  0  0  0  0
   -7.8230   -1.9490   -2.4180 C   0  0  0  0  0
   -5.5080   -0.2070    0.0030 C   0  0  0  0  0
    0.8510    4.2820   -0.2630 C   0  0  0  0  0
    0.7040    3.8470   -1.7050 C   0  0  0  0  0
    0.2520    3.2340    0.6770 C   0  0  0  0  0
    5.2550   -3.5460   -1.1870 C   0  0  0  0  0
    6.0680   -4.6630   -1.1700 C   0  0  0  0  0
    7.4430   -4.5180   -1.1980 C   0  0  0  0  0
    8.0040   -3.2560   -1.2440 C   0  0  0  0  0
    7.1900   -2.1380   -1.2620 C   0  0  0  0  0
    5.8160   -2.2830   -1.2330 C   0  0  0  0  0
    4.9290   -1.0650   -1.2580 C   0  0  0  0  0
   -2.2720   -1.3650    1.1960 N   0  0  0  0  0
   -3.3100   -0.5750    0.8580 C   0  0  0  0  0
   -3.2340    0.6280    1.0140 O   0  0  0  0  0
   -0.1550   -2.1690    2.0690 C   0  0  0  0  0
   -1.0360   -0.9200    1.8580 C   0  0  0  0  0
   -0.3160    0.0740    0.9840 C   0  0  0  0  0
    1.1530    1.9980    0.7020 C   0  0  0  0  0
    0.0510    5.6030   -0.1820 C   0  0  0  0  0
    0.0920    6.0870   -1.6480 C   0  0  0  0  0
    2.5180    2.3730    1.2820 C   0  0  0  0  0
    3.4050    1.1550    1.3070 C   0  0  0  0  0
    4.6480   -0.6090    0.1760 C   0  0  0  0  0
   -6.7550   -1.2330   -1.9090 C   0  0  0  0  0
   -2.1890   -2.8190    0.9700 C   0  0  0  0  0
   -1.1860   -3.3300    2.0350 C   0  0  0  0  0
    0.5360    0.9610    1.5340 N   0  0  0  0  0
    0.2730    4.8750   -2.4560 N   0  0  0  0  0
    3.7860    0.5750    0.1510 N   0  0  0  0  0
   -4.4300   -1.1180    0.3450 O   0  0  0  0  0
    0.9410    2.7330   -2.1220 O   0  0  0  0  0
    3.7760    0.6960    2.3660 O   0  0  0  0  0
    2.3500    2.8670    2.6120 O   0  0  0  0  0
   -0.5030    0.0750   -0.2140 O   0  0  0  0  0
   -9.6350   -2.9880   -1.9640 H   0  0  0  0  0
   -9.4850   -2.5520    0.4550 H   0  0  0  0  0
   -7.5850   -1.2740    1.3600 H   0  0  0  0  0
   -7.8890   -2.1380   -3.4790 H   0  0  0  0  0
   -5.1580    0.5040   -0.7450 H   0  0  0  0  0
   -5.8250    0.3320    0.8960 H   0  0  0  0  0
    1.9000    4.4570   -0.0230 H   0  0  0  0  0
    0.1760    3.6490    1.6820 H   0  0  0  0  0
   -0.7400    2.9540    0.3230 H   0  0  0  0  0
    4.1810   -3.6590   -1.1690 H   0  0  0  0  0
    5.6300   -5.6500   -1.1350 H   0  0  0  0  0
    8.0780   -5.3910   -1.1850 H   0  0  0  0  0
    9.0770   -3.1420   -1.2650 H   0  0  0  0  0
    7.6280   -1.1520   -1.2970 H   0  0  0  0  0
    5.4270   -0.2640   -1.8030 H   0  0  0  0  0
    3.9890   -1.3110   -1.7520 H   0  0  0  0  0
    0.5730   -2.2680    1.2640 H   0  0  0  0  0
    0.3460   -2.1280    3.0370 H   0  0  0  0  0
   -1.2740   -0.4670    2.8200 H   0  0  0  0  0
    1.2800    1.6200   -0.3130 H   0  0  0  0  0
   -0.9750    5.4180    0.1390 H   0  0  0  0  0
    0.5420    6.3170    0.4790 H   0  0  0  0  0
   -0.8450    6.5790   -1.9100 H   0  0  0  0  0
    0.9310    6.7680   -1.7970 H   0  0  0  0  0
    4.1490   -1.4110    0.7210 H   0  0  0  0  0
    5.5880   -0.3640    0.6690 H   0  0  0  0  0
   -5.9880   -0.8620   -2.5730 H   0  0  0  0  0
   -3.1660   -3.2800    1.1180 H   0  0  0  0  0
   -1.8180   -3.0300   -0.0330 H   0  0  0  0  0
   -0.7150   -4.2590    1.7140 H   0  0  0  0  0
   -1.6730   -3.4540    3.0020 H   0  0  0  0  0
    0.7410    0.9140    2.4810 H   0  0  0  0  0
    0.1030    4.8230   -3.4090 H   0  0  0  0  0
    3.4890    0.9410   -0.6960 H   0  0  0  0  0
    2.9760    3.1440    0.6630 H   0  0  0  0  0
    1.9470    2.2330    3.2200 H   0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  3  4  2  0  0  0
  3 42  1  0  0  0
  4  6  1  0  0  0
  5 29  2  0  0  0
  5 43  1  0  0  0
  6 35  1  0  0  0
  6 44  1  0  0  0
  6 45  1  0  0  0
  7 24  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 46  1  0  0  0
  8 36  2  0  0  0
  8 33  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
 10 15  1  0  0  0
 10 49  1  0  0  0
 11 10  2  0  0  0
 11 50  1  0  0  0
 12 13  2  0  0  0
 12 11  1  0  0  0
 12 51  1  0  0  0
 13 14  1  0  0  0
 13 52  1  0  0  0
 14 15  2  0  0  0
 14 53  1  0  0  0
 15 16  1  0  0  0
 16 54  1  0  0  0
 16 55  1  0  0  0
 17 21  1  0  0  0
 18 17  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 56  1  0  0  0
 20 57  1  0  0  0
 21 22  1  0  0  0
 21 58  1  0  0  0
 22 39  2  0  0  0
 22 32  1  0  0  0
 23  9  1  0  0  0
 23 26  1  0  0  0
 23 59  1  0  0  0
 24 25  1  0  0  0
 24 60  1  0  0  0
 24 61  1  0  0  0
 25 33  1  0  0  0
 25 62  1  0  0  0
 25 63  1  0  0  0
 26 27  1  0  0  0
 26 74  1  0  0  0
 27 34  1  0  0  0
 27 37  2  0  0  0
 28 16  1  0  0  0
 28 64  1  0  0  0
 28 65  1  0  0  0
 29  4  1  0  0  0
 29 66  1  0  0  0
 30 31  1  0  0  0
 30 17  1  0  0  0
 30 67  1  0  0  0
 30 68  1  0  0  0
 31 20  1  0  0  0
 31 69  1  0  0  0
 31 70  1  0  0  0
 32 23  1  0  0  0
 32 71  1  0  0  0
 33 72  1  0  0  0
 34 28  1  0  0  0
 34 73  1  0  0  0
 35 18  1  0  0  0
 38 26  1  0  0  0
 38 75  1  0  0  0
M  END
$$$$
