A66
  CCTOOLS-0801250956

 50 51  0  0  1  0  0  0  0  0999 V2000
    2.9440    0.1890   -3.8190 C   0  0  0  0  0
    2.3900   -0.5150   -2.5920 C   0  0  0  0  0
    2.8140   -1.6240   -2.2560 O   0  0  0  0  0
    0.8590    1.4840   -2.2520 C   0  0  0  0  0
   -0.6020    1.2760   -2.5990 C   0  0  0  0  0
   -1.0950    0.2230   -2.9800 O   0  0  0  0  0
   -1.3180    2.4270   -2.4870 O   0  0  0  0  0
    1.3830    0.1890   -1.8980 N   0  0  0  0  0
    0.8020   -0.4330   -0.7040 C   0  0  0  0  0
    1.8490   -0.6980    0.3650 C   0  0  0  0  0
    1.2870   -1.3270    1.5310 N   0  0  0  0  0
    3.9800   -0.5900   -4.4990 N   0  0  0  0  0
    3.7620   -1.4910   -5.4900 C   0  0  0  0  0
    4.8890   -2.0330   -5.9040 N   0  0  0  0  0
    5.8640   -1.4460   -5.1370 C   0  0  0  0  0
    7.2460   -1.5990   -5.0990 C   0  0  0  0  0
    7.8930   -2.5000   -5.9640 N   0  0  0  0  0
    7.9660   -0.8670   -4.2160 N   0  0  0  0  0
    7.2870   -0.0160   -3.4080 C   0  0  0  0  0
    5.9580    0.2180   -3.3510 N   0  0  0  0  0
    5.3100   -0.5380   -4.2500 C   0  0  0  0  0
    0.9930    2.4980   -1.1140 C   0  0  0  0  0
    2.4330    2.7570   -0.6550 C   0  0  0  0  0
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    3.9680    4.0370    0.9350 C   0  0  0  0  0
    4.0310    4.9990    2.0290 N   0  0  0  0  0
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    0.3410   -1.3730   -1.0230 H   0  0  0  0  0
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    1.8060   -2.0560    1.9940 H   0  0  0  0  0
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    7.5470   -2.6210   -6.8970 H   0  0  0  0  0
    8.6310   -3.0780   -5.6100 H   0  0  0  0  0
    7.8950    0.5530   -2.7130 H   0  0  0  0  0
    0.5580    3.4560   -1.4280 H   0  0  0  0  0
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    2.9900    3.1690   -1.5060 H   0  0  0  0  0
    2.9150    1.8080   -0.3970 H   0  0  0  0  0
    1.9770    3.3430    1.3840 H   0  0  0  0  0
    2.0440    4.6810    0.2420 H   0  0  0  0  0
    4.4720    3.1120    1.2390 H   0  0  0  0  0
    4.5140    4.4390    0.0740 H   0  0  0  0  0
    3.6420    5.9060    1.8820 H   0  0  0  0  0
    4.6310    4.7960    2.8010 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  8  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  4 22  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 11  1  0  0  0
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 26 49  1  0  0  0
 26 50  1  0  0  0
M  END
$$$$
