MTW
  CCTOOLS-0919241036

 43 46  0  0  0  0  0  0  0  0999 V2000
   -3.7900   -3.5760   -0.1000 C   0  0  0  0  0
   -3.5500   -4.0860    1.0810 N   0  0  0  0  0
   -2.5670   -3.4080    1.6740 C   0  0  0  0  0
   -2.1680   -2.4540    0.8760 N   0  0  0  0  0
   -2.9510   -2.5430   -0.2870 N   0  0  0  0  0
   -2.8690   -1.6820   -1.4690 C   0  0  0  0  0
   -3.0210   -0.2420   -1.0530 C   0  0  0  0  0
   -1.9080    0.4990   -0.7200 C   0  0  0  0  0
   -4.2790    0.3360   -1.0120 C   0  0  0  0  0
   -4.4300    1.6580   -0.6310 C   0  0  0  0  0
   -3.3260    2.4110   -0.2890 C   0  0  0  0  0
   -2.0510    1.8370   -0.3330 C   0  0  0  0  0
   -0.8690    2.6340    0.0230 C   0  0  0  0  0
    0.3120    2.0850   -0.0240 N   0  0  0  0  0
   -1.0420    4.0710    0.4300 C   0  0  0  0  0
    0.2730    4.7970    0.3720 C   0  0  0  0  0
    1.3910    4.1580    0.3140 N   0  0  0  0  0
    1.4230    2.7960    0.2930 C   0  0  0  0  0
    2.5430    2.1650    0.5830 N   0  0  0  0  0
    2.5820    0.8010    0.5640 C   0  0  0  0  0
    3.6510    0.1380   -0.0470 C   0  0  0  0  0
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    4.8130   -1.9460   -0.7080 N   0  3  0  0  0
    5.7120   -1.3080   -1.2260 O   0  5  0  0  0
    4.8430   -3.1630   -0.7230 O   0  0  0  0  0
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   -2.1670   -3.6140    2.6560 H   0  0  0  0  0
   -1.9020   -1.8200   -1.9530 H   0  0  0  0  0
   -3.6640   -1.9450   -2.1660 H   0  0  0  0  0
   -0.9270    0.0490   -0.7560 H   0  0  0  0  0
   -5.1470   -0.2490   -1.2780 H   0  0  0  0  0
   -5.4140    2.1010   -0.6020 H   0  0  0  0  0
   -3.4450    3.4420    0.0070 H   0  0  0  0  0
   -1.7500    4.5530   -0.2440 H   0  0  0  0  0
   -1.4330    4.1130    1.4470 H   0  0  0  0  0
    0.2810    5.8770    0.3800 H   0  0  0  0  0
    4.4480    0.7030   -0.5060 H   0  0  0  0  0
    0.7300    0.5660    1.6380 H   0  0  0  0  0
    0.8120   -1.8910    1.5970 H   0  0  0  0  0
    2.6930   -3.0470    0.5110 H   0  0  0  0  0
  1  2  2  0  0  0
  1  5  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 12  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 21 25  1  0  0  0
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 23 24  1  0  0  0
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 24 25  2  0  0  0
 24 43  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 28  2  0  0  0
M  CHG  1  26   1
M  CHG  1  27  -1
M  END
$$$$
