JDP
  CCTOOLS-0613250944

 54 58  0  0  0  0  0  0  0  0999 V2000
   -5.4100    3.4730   -1.1920 C   0  0  0  0  0
   -5.9920    3.8430    0.0060 C   0  0  0  0  0
    6.4730    0.5790   -0.0070 O   0  0  0  0  0
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    3.6720    2.8160    0.0150 C   0  0  0  0  0
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    1.5920    1.6120    0.0110 C   0  0  0  0  0
    2.2740    0.4010    0.0030 C   0  0  0  0  0
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    4.0840   -1.0060   -0.0210 C   0  0  0  0  0
    2.9580   -1.7410   -0.0270 C   0  0  0  0  0
    2.9070   -3.2470   -0.0420 C   0  0  0  0  0
    1.8640   -0.9180   -0.0040 N   0  0  0  0  0
    0.5400   -1.3450   -0.0050 C   0  0  0  0  0
   -0.4290   -0.4430   -0.0040 N   0  0  0  0  0
   -1.7030   -0.8210   -0.0020 C   0  0  0  0  0
   -2.7160    0.1240   -0.0010 N   0  0  0  0  0
   -2.3870    1.5520   -0.0000 C   0  0  0  0  0
   -3.6580    2.3610    0.0020 C   0  0  0  0  0
   -4.2400    2.7310    1.2000 C   0  0  0  0  0
   -5.4060    3.4730    1.2020 C   0  0  0  0  0
   -4.2440    2.7310   -1.1940 C   0  0  0  0  0
   -2.0050   -2.1860   -0.0040 C   0  0  0  0  0
   -3.4430   -2.6280    0.0030 C   0  0  0  0  0
   -3.5360   -4.0050   -0.3610 O   0  0  0  0  0
   -2.6690   -4.8510    0.4050 C   0  0  0  0  0
   -1.2240   -4.5740   -0.0140 C   0  0  0  0  0
   -0.9690   -3.0900   -0.0070 C   0  0  0  0  0
    0.2810   -2.6430   -0.0120 N   0  0  0  0  0
    6.5240    2.8000    0.0160 N   0  0  0  0  0
   -5.8700    3.7580   -2.1270 H   0  0  0  0  0
   -6.9030    4.4230    0.0080 H   0  0  0  0  0
    4.2020    3.7570    0.0200 H   0  0  0  0  0
    1.7480    3.7380    0.0230 H   0  0  0  0  0
    0.5120    1.6200    0.0130 H   0  0  0  0  0
    5.0960   -1.3830   -0.0260 H   0  0  0  0  0
    2.8970   -3.6210    0.9820 H   0  0  0  0  0
    2.0050   -3.5760   -0.5580 H   0  0  0  0  0
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   -5.8600    3.7630    2.1380 H   0  0  0  0  0
   -3.7890    2.4410   -2.1300 H   0  0  0  0  0
   -3.8580   -2.4890    1.0010 H   0  0  0  0  0
   -4.0090   -2.0270   -0.7080 H   0  0  0  0  0
   -2.7910   -4.6340    1.4660 H   0  0  0  0  0
   -2.9150   -5.8950    0.2140 H   0  0  0  0  0
   -0.5440   -5.0620    0.6850 H   0  0  0  0  0
   -1.0550   -4.9660   -1.0170 H   0  0  0  0  0
    7.4940    2.8060    0.0150 H   0  0  0  0  0
    6.0330    3.6360    0.0260 H   0  0  0  0  0
  1  2  2  0  0  0
  1 23  1  0  0  0
  1 32  1  0  0  0
  2 22  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
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  5 10  2  0  0  0
  5  6  1  0  0  0
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  7  8  1  0  0  0
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  9 14  1  0  0  0
  9  8  2  0  0  0
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 31 53  1  0  0  0
 31 54  1  0  0  0
M  END
$$$$
