6IK
  CCTOOLS-0919241041

 84 90  0  0  1  0  0  0  0  0999 V2000
    6.9850   -0.5810   -0.7900 C   0  0  0  0  0
    9.0410    2.2020   -0.8490 C   0  0  0  0  0
    9.1790    2.0490   -2.3650 C   0  0  0  0  0
    8.5250    2.6100    2.0330 C   0  0  0  0  0
    7.3800    0.2750    1.4510 C   0  0  0  0  0
    4.8470   -0.1340   -2.0120 C   0  0  0  0  0
    3.4810   -0.2650   -2.1570 C   0  0  0  0  0
   -1.1040   -2.1620    1.8670 C   0  0  0  0  0
   -3.3140   -1.0110    1.7180 C   0  0  0  0  0
   -1.4140   -2.8480    0.5340 C   0  0  0  0  0
   -0.8650   -2.0020   -0.6160 C   0  0  0  0  0
    1.2870   -1.1460   -1.3720 C   0  0  0  0  0
    2.7510   -1.0010   -1.2220 C   0  0  0  0  0
    3.4080   -1.5990   -0.1460 C   0  0  0  0  0
    4.7740   -1.4590   -0.0120 C   0  0  0  0  0
    5.4930   -0.7290   -0.9420 C   0  0  0  0  0
    8.7230    0.9440   -0.0380 C   0  0  0  0  0
   10.4210    2.2890   -1.5040 C   0  0  0  0  0
    8.6030    1.1930    1.4670 C   0  0  0  0  0
   10.0150    2.4550    2.3900 C   0  0  0  0  0
    9.7780    0.9340    2.4100 C   0  0  0  0  0
   -1.8100   -0.8040    1.9100 C   0  0  0  0  0
   -2.9300   -2.9960    0.3820 C   0  0  0  0  0
   -4.9170   -1.7540    0.1640 C   0  0  0  0  0
   -6.7770   -3.0240   -0.3250 C   0  0  0  0  0
   -7.0640   -0.7470   -0.1180 C   0  0  0  0  0
   -7.3420    1.6950    0.1210 C   0  0  0  0  0
   -8.4430    2.7210    0.0370 C   0  0  0  0  0
   -9.1670    3.0520    1.1670 C   0  0  0  0  0
  -10.1770    3.9930    1.0900 C   0  0  0  0  0
  -10.4630    4.6020   -0.1170 C   0  0  0  0  0
   -9.7390    4.2720   -1.2470 C   0  0  0  0  0
   -8.7260    3.3340   -1.1690 C   0  0  0  0  0
   -5.7060   -0.6090    0.1530 C   0  0  0  0  0
    0.5850   -1.8570   -0.4680 N   0  0  0  0  0
    7.2790    0.6140    0.0120 N   0  0  0  0  0
   -3.5590   -1.6690    0.4290 N   0  0  0  0  0
   -5.4860   -2.9340   -0.0780 N   0  0  0  0  0
   -7.5580   -1.9630   -0.3440 N   0  0  0  0  0
   -7.8940    0.3640   -0.1410 N   0  0  0  0  0
   -0.8030   -4.1400    0.5090 O   0  0  0  0  0
    0.7180   -0.6250   -2.3110 O   0  0  0  0  0
    7.3880   -1.4620   -0.2910 H   0  0  0  0  0
    7.4420   -0.4790   -1.7740 H   0  0  0  0  0
    8.6010    3.1260   -0.4740 H   0  0  0  0  0
    9.0430    1.0520   -2.7840 H   0  0  0  0  0
    8.8310    2.8730   -2.9880 H   0  0  0  0  0
    8.3330    3.3730    1.2780 H   0  0  0  0  0
    7.8730    2.6990    2.9020 H   0  0  0  0  0
    7.6130   -0.7720    1.6420 H   0  0  0  0  0
    6.5460    0.6430    2.0490 H   0  0  0  0  0
    5.4140    0.4310   -2.7370 H   0  0  0  0  0
    2.9790    0.2000   -2.9920 H   0  0  0  0  0
   -1.4600   -2.7840    2.6890 H   0  0  0  0  0
   -0.0270   -2.0160    1.9600 H   0  0  0  0  0
   -3.7000   -1.6350    2.5240 H   0  0  0  0  0
   -3.8180   -0.0440    1.7340 H   0  0  0  0  0
   -1.0870   -2.4910   -1.5650 H   0  0  0  0  0
   -1.3320   -1.0170   -0.5970 H   0  0  0  0  0
    2.8490   -2.1690    0.5810 H   0  0  0  0  0
    5.2840   -1.9210    0.8210 H   0  0  0  0  0
    9.3610    0.0990   -0.2940 H   0  0  0  0  0
   10.8890    3.2720   -1.5610 H   0  0  0  0  0
   11.1020    1.4510   -1.3570 H   0  0  0  0  0
   10.6890    2.7820    1.5990 H   0  0  0  0  0
   10.2740    2.8690    3.3650 H   0  0  0  0  0
    9.4790    0.5500    3.3850 H   0  0  0  0  0
   10.5850    0.3600    1.9560 H   0  0  0  0  0
   -1.6270   -0.3290    2.8740 H   0  0  0  0  0
   -1.4250   -0.1690    1.1120 H   0  0  0  0  0
   -3.1550   -3.4710   -0.5720 H   0  0  0  0  0
   -3.3180   -3.6100    1.1940 H   0  0  0  0  0
   -7.2070   -3.9960   -0.5170 H   0  0  0  0  0
   -6.5760    1.9230   -0.6200 H   0  0  0  0  0
   -6.9010    1.7170    1.1170 H   0  0  0  0  0
   -8.9430    2.5760    2.1100 H   0  0  0  0  0
  -10.7430    4.2510    1.9730 H   0  0  0  0  0
  -11.2530    5.3370   -0.1780 H   0  0  0  0  0
   -9.9620    4.7480   -2.1910 H   0  0  0  0  0
   -8.1570    3.0790   -2.0510 H   0  0  0  0  0
   -5.2770    0.3630    0.3490 H   0  0  0  0  0
    1.0400   -2.2730    0.2810 H   0  0  0  0  0
   -8.8390    0.2590   -0.3300 H   0  0  0  0  0
    0.1590   -4.1220    0.6030 H   0  0  0  0  0
  1 16  1  0  0  0
  1 36  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  2 45  1  0  0  0
  3 18  1  0  0  0
  3 46  1  0  0  0
  3 47  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  4 48  1  0  0  0
  4 49  1  0  0  0
  5 19  1  0  0  0
  5 36  1  0  0  0
  5 50  1  0  0  0
  5 51  1  0  0  0
  6  7  2  0  0  0
  6 16  1  0  0  0
  6 52  1  0  0  0
  7 13  1  0  0  0
  7 53  1  0  0  0
  8 10  1  0  0  0
  8 22  1  0  0  0
  8 54  1  0  0  0
  8 55  1  0  0  0
  9 22  1  0  0  0
  9 37  1  0  0  0
  9 56  1  0  0  0
  9 57  1  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 10 41  1  0  0  0
 11 35  1  0  0  0
 11 58  1  0  0  0
 11 59  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 42  2  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 60  1  0  0  0
 15 16  2  0  0  0
 15 61  1  0  0  0
 17 19  1  0  0  0
 17 36  1  0  0  0
 17 62  1  0  0  0
 18 63  1  0  0  0
 18 64  1  0  0  0
 19 21  1  0  0  0
 20 21  1  0  0  0
 20 65  1  0  0  0
 20 66  1  0  0  0
 21 67  1  0  0  0
 21 68  1  0  0  0
 22 69  1  0  0  0
 22 70  1  0  0  0
 23 37  1  0  0  0
 23 71  1  0  0  0
 23 72  1  0  0  0
 24 34  2  0  0  0
 24 37  1  0  0  0
 24 38  1  0  0  0
 25 38  2  0  0  0
 25 39  1  0  0  0
 25 73  1  0  0  0
 26 34  1  0  0  0
 26 39  2  0  0  0
 26 40  1  0  0  0
 27 28  1  0  0  0
 27 40  1  0  0  0
 27 74  1  0  0  0
 27 75  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 76  1  0  0  0
 30 31  2  0  0  0
 30 77  1  0  0  0
 31 32  1  0  0  0
 31 78  1  0  0  0
 32 33  2  0  0  0
 32 79  1  0  0  0
 33 80  1  0  0  0
 34 81  1  0  0  0
 35 82  1  0  0  0
 40 83  1  0  0  0
 41 84  1  0  0  0
M  END
$$$$
