WPC
  CCTOOLS-0807261402

 57 68  0  0  0  0  0  0  0  0999 V2000
    4.5460   -3.2090   -0.1780 C   0  0  0  0  0
    5.8990   -2.9500   -0.2380 C   0  0  0  0  0
    6.3880   -1.6430   -0.2870 C   0  0  0  0  0
    5.5380   -0.5570   -0.2770 C   0  0  0  0  0
    3.6850   -2.1170   -0.1680 C   0  0  0  0  0
    2.2520   -1.9960   -0.1140 C   0  0  0  0  0
    1.4020   -3.0660   -0.0560 N   0  0  0  0  0
    0.0370   -3.0030    0.0010 C   0  0  0  0  0
   -0.8140   -4.1620    0.0670 C   0  0  0  0  0
   -0.5560   -5.5290    0.0890 C   0  0  0  0  0
   -1.6410   -6.3780    0.1570 C   0  0  0  0  0
   -2.9470   -5.8880    0.2020 C   0  0  0  0  0
   -3.2070   -4.5330    0.1800 C   0  0  0  0  0
   -2.1170   -3.6730    0.1120 C   0  0  0  0  0
    1.9050   -0.7060   -0.1300 N   0  5  0  0  0
   -1.8970    0.7220    0.0010 N   0  5  0  0  0
    0.7150    1.9100   -0.1350 N   0  0  0  0  0
   -0.7080   -1.8930    0.0060 N   0  0  0  0  0
   -1.9970   -2.2400    0.0710 C   0  0  0  0  0
   -3.0670   -1.3880    0.0980 N   0  0  0  0  0
   -3.0060   -0.0220    0.0670 C   0  0  0  0  0
    4.1730   -0.8140   -0.2170 C   0  0  0  0  0
    3.0140    0.0380   -0.1890 C   0  0  0  0  0
    3.0750    1.4050   -0.2220 N   0  0  0  0  0
    2.0050    2.2560   -0.1940 C   0  0  0  0  0
    2.1250    3.6900   -0.2250 C   0  0  0  0  0
    3.2160    4.5500   -0.2870 C   0  0  0  0  0
    2.9560    5.9050   -0.3010 C   0  0  0  0  0
    1.6500    6.3950   -0.2560 C   0  0  0  0  0
    0.5650    5.5460   -0.1950 C   0  0  0  0  0
    0.8220    4.1790   -0.1810 C   0  0  0  0  0
   -0.0290    3.0200   -0.1230 C   0  0  0  0  0
   -1.3940    3.0830   -0.0680 N   0  0  0  0  0
   -2.2440    2.0130   -0.0080 C   0  0  0  0  0
   -3.6770    2.1340    0.0540 C   0  0  0  0  0
   -4.5370    3.2260    0.0720 C   0  0  0  0  0
   -4.1650    0.8300    0.1030 C   0  0  0  0  0
   -5.5300    0.5740    0.1700 C   0  0  0  0  0
   -6.3790    1.6610    0.1870 C   0  0  0  0  0
   -5.8910    2.9670    0.1390 C   0  0  0  0  0
    0.0010    0.0070   -0.1200 FE  0  0  0  0  0
    4.2210   -4.0940   -0.1460 H   0  0  0  0  0
    6.5080   -3.6700   -0.2460 H   0  0  0  0  0
    7.3200   -1.5010   -0.3270 H   0  0  0  0  0
    5.8740    0.3240   -0.3100 H   0  0  0  0  0
    0.3250   -5.8650    0.0580 H   0  0  0  0  0
   -1.4970   -7.3100    0.1730 H   0  0  0  0  0
   -3.6660   -6.4960    0.2480 H   0  0  0  0  0
   -4.0910   -4.2070    0.2110 H   0  0  0  0  0
    4.1000    4.2240   -0.3170 H   0  0  0  0  0
    3.6750    6.5130   -0.3420 H   0  0  0  0  0
    1.5070    7.3270   -0.2680 H   0  0  0  0  0
   -0.3160    5.8820   -0.1650 H   0  0  0  0  0
   -4.2120    4.1110    0.0390 H   0  0  0  0  0
   -5.8650   -0.3070    0.2030 H   0  0  0  0  0
   -7.3110    1.5180    0.2330 H   0  0  0  0  0
   -6.4990    3.6880    0.1520 H   0  0  0  0  0
  1 42  1  0  0  0
  2  1  2  0  0  0
  2 43  1  0  0  0
  3  2  1  0  0  0
  3 44  1  0  0  0
  4  3  2  0  0  0
  4 22  1  0  0  0
  4 45  1  0  0  0
  5  1  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 18  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 14  2  0  0  0
 10 11  2  0  0  0
 10 46  1  0  0  0
 11 12  1  0  0  0
 11 47  1  0  0  0
 12 48  1  0  0  0
 13 12  2  0  0  0
 13 49  1  0  0  0
 14 13  1  0  0  0
 15  6  1  0  0  0
 15 41  1  0  0  0
 16 21  1  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 14  1  0  0  0
 21 37  2  0  0  0
 21 20  1  0  0  0
 22 23  1  0  0  0
 22  5  2  0  0  0
 23 15  1  0  0  0
 24 25  1  0  0  0
 24 23  2  0  0  0
 25 17  2  0  0  0
 26 31  2  0  0  0
 26 25  1  0  0  0
 27 26  1  0  0  0
 27 50  1  0  0  0
 28 29  1  0  0  0
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 31 32  1  0  0  0
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 32 33  2  0  0  0
 33 34  1  0  0  0
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 34 35  2  0  0  0
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 37 38  1  0  0  0
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 39 38  2  0  0  0
 39 56  1  0  0  0
 40 39  1  0  0  0
 40 57  1  0  0  0
 41 16  1  0  0  0
 41 18  1  0  0  0
M  CHG  1  15  -1
M  CHG  1  16  -1
M  END
$$$$
