A1E2V
  CCTOOLS-0807261401

 64 66  0  0  0  0  0  0  0  0999 V2000
   -0.1930    2.5380   -2.6700 C   0  0  0  0  0
   -0.0530    1.2310   -3.4100 C   0  0  0  0  0
    1.1930    0.7950   -3.8620 C   0  0  0  0  0
    1.3050   -0.4150   -4.5370 C   0  0  0  0  0
    0.1780   -1.1940   -4.7650 C   0  0  0  0  0
   -1.0620   -0.7700   -4.3090 C   0  0  0  0  0
   -1.1810    0.4440   -3.6420 C   0  0  0  0  0
    3.7200   -0.4250   -4.9760 C   0  0  0  0  0
   -3.3950   -1.5240   -4.2000 C   0  0  0  0  0
   -0.2810    2.3750    2.5610 C   0  0  0  0  0
   -0.1370    1.0710    3.3070 C   0  0  0  0  0
   -1.2690    0.3140    3.6090 C   0  0  0  0  0
   -1.1420   -0.8900    4.2920 C   0  0  0  0  0
    0.1140   -1.3450    4.6710 C   0  0  0  0  0
    1.2440   -0.5970    4.3710 C   0  0  0  0  0
    1.1220    0.6080    3.6880 C   0  0  0  0  0
   -3.5000   -1.5640    4.3870 C   0  0  0  0  0
    3.6800   -0.6630    4.6630 C   0  0  0  0  0
   -3.5130    2.6050   -0.0550 N   0  5  0  0  0
   -2.5830   -0.2810   -0.4050 N   0  5  0  0  0
    2.8180    1.4170    0.2400 N   0  5  0  0  0
    0.8500   -0.8610   -0.4140 N   0  5  0  0  0
   -4.3610    2.4970   -1.1630 O   0  0  0  0  0
   -2.3050   -1.0640    0.7190 O   0  0  0  0  0
    2.4220   -1.0240   -5.0640 O   0  0  0  0  0
   -2.0400   -1.6830   -4.6350 O   0  0  0  0  0
    3.5980    0.4800    0.9290 O   0  0  0  0  0
    1.9610   -1.6060   -0.8390 O   0  0  0  0  0
   -2.1160   -1.7800    4.6840 O   0  0  0  0  0
    2.3750   -1.2280    4.8370 O   0  0  0  0  0
   -0.2990    2.2060   -0.9000 S   0  5  0  0  0
   -0.3500    2.0360    0.7900 S   0  5  0  0  0
   -2.3780    1.3730   -0.1260 FE  0  0  0  0  0
    1.3310    0.7190   -0.1070 FE  0  0  0  0  0
   -1.0000    2.9970   -2.9580 H   0  0  0  0  0
    0.5790    3.1040   -2.8430 H   0  0  0  0  0
    1.9550    1.3300   -3.7060 H   0  0  0  0  0
    0.2570   -2.0170   -5.2220 H   0  0  0  0  0
   -2.0220    0.7380   -3.3290 H   0  0  0  0  0
    3.7100    0.4370   -5.4230 H   0  0  0  0  0
    4.3710   -1.0030   -5.4040 H   0  0  0  0  0
    3.9590   -0.3040   -4.0420 H   0  0  0  0  0
   -3.4210   -1.4780   -3.2300 H   0  0  0  0  0
   -3.9210   -2.2830   -4.5010 H   0  0  0  0  0
   -3.7630   -0.7070   -4.5750 H   0  0  0  0  0
    0.4790    2.9500    2.7470 H   0  0  0  0  0
   -1.0990    2.8230    2.8330 H   0  0  0  0  0
   -2.1200    0.6290    3.3470 H   0  0  0  0  0
    0.1990   -2.1640    5.1350 H   0  0  0  0  0
    1.8870    1.1220    3.4810 H   0  0  0  0  0
   -3.7930   -0.7310    4.7900 H   0  0  0  0  0
   -4.0250   -2.2980    4.7450 H   0  0  0  0  0
   -3.6230   -1.5200    3.4250 H   0  0  0  0  0
    3.8650   -0.5590    3.7160 H   0  0  0  0  0
    4.3420   -1.2540    5.0590 H   0  0  0  0  0
    3.7190    0.2030    5.0990 H   0  0  0  0  0
   -3.1010    3.3860   -0.0100 H   0  0  0  0  0
   -2.1300   -0.5360   -1.1130 H   0  0  0  0  0
    2.6960    2.1640    0.6960 H   0  0  0  0  0
    0.1880   -0.8490   -0.9990 H   0  0  0  0  0
   -4.7080    1.7090   -1.1170 H   0  0  0  0  0
   -2.8110   -0.7520    1.3410 H   0  0  0  0  0
    3.6570   -0.2070    0.4090 H   0  0  0  0  0
    1.7700   -1.9180   -1.6220 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7 39  1  0  0  0
  8 25  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 26  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 48  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 49  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 50  1  0  0  0
 17 29  1  0  0  0
 17 51  1  0  0  0
 17 52  1  0  0  0
 17 53  1  0  0  0
 18 30  1  0  0  0
 18 54  1  0  0  0
 18 55  1  0  0  0
 18 56  1  0  0  0
 19 23  1  0  0  0
 19 33  1  0  0  0
 19 57  1  0  0  0
 20 24  1  0  0  0
 20 33  1  0  0  0
 20 58  1  0  0  0
 21 27  1  0  0  0
 21 34  1  0  0  0
 21 59  1  0  0  0
 22 28  1  0  0  0
 22 34  1  0  0  0
 22 60  1  0  0  0
 23 61  1  0  0  0
 24 62  1  0  0  0
 27 63  1  0  0  0
 28 64  1  0  0  0
 31 33  1  0  0  0
 31 34  1  0  0  0
 32 33  1  0  0  0
 32 34  1  0  0  0
M  CHG  1  19  -1
M  CHG  1  20  -1
M  CHG  1  21  -1
M  CHG  1  22  -1
M  CHG  1  31  -1
M  CHG  1  32  -1
M  END
$$$$
