A1DFJ
  CCTOOLS-0807261402

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.2070    1.5330    0.0330 C   0  0  0  0  0
   -3.2190    0.5300   -0.0820 C   0  0  0  0  0
   -5.5630    1.1430    0.6390 C   0  0  0  0  0
   -2.3040   -0.5380   -0.1490 C   0  0  0  0  0
   -2.6530   -2.0000   -0.2570 C   0  0  0  0  0
   -3.4000   -2.6370    0.9170 C   0  0  0  0  0
    6.2870    0.5760    0.0430 C   0  0  0  0  0
    5.0690   -0.2570   -0.0350 C   0  0  0  0  0
    5.1760   -1.6470   -0.1330 C   0  0  0  0  0
    4.0380   -2.4270   -0.2070 C   0  0  0  0  0
    2.7890   -1.8400   -0.1840 C   0  0  0  0  0
    2.6670   -0.4510   -0.0860 C   0  0  0  0  0
    1.3290    0.1750   -0.0620 C   0  0  0  0  0
   -0.0690    2.1180    0.0620 C   0  0  0  0  0
   -4.6920    0.4110   -0.1050 C   0  0  0  0  0
   -6.8570    0.6980    0.3040 C   0  0  0  0  0
   -6.7140   -0.2730   -0.6190 C   0  0  0  0  0
   -1.9270   -2.9700    0.6770 C   0  0  0  0  0
   -1.0490   -0.0150   -0.0990 C   0  0  0  0  0
    3.8100    0.3410   -0.0070 C   0  0  0  0  0
   -1.1690    1.3430   -0.0040 N   0  0  0  0  0
   -2.5350    1.6550    0.0040 N   0  0  0  0  0
    0.2020   -0.6040   -0.1340 N   0  0  0  0  0
    6.1920    1.7830    0.1330 O   0  0  0  0  0
    7.5020   -0.0040    0.0160 O   0  0  0  0  0
   -0.1820    3.3290    0.1470 O   0  0  0  0  0
   -5.4040   -0.4400   -0.8680 O   0  0  0  0  0
    2.0890    2.1530    0.0900 H   0  0  0  0  0
   -5.3110    1.9130    1.3530 H   0  0  0  0  0
   -2.8960   -2.3530   -1.2590 H   0  0  0  0  0
   -3.6400   -1.9980    1.7670 H   0  0  0  0  0
   -4.1350   -3.4080    0.6870 H   0  0  0  0  0
    6.1500   -2.1120   -0.1510 H   0  0  0  0  0
    4.1270   -3.5000   -0.2830 H   0  0  0  0  0
    1.9040   -2.4560   -0.2420 H   0  0  0  0  0
   -7.7880    1.0660    0.7100 H   0  0  0  0  0
   -7.5180   -0.8230   -1.0850 H   0  0  0  0  0
   -1.6920   -3.9620    0.2890 H   0  0  0  0  0
   -1.1970   -2.5510    1.3700 H   0  0  0  0  0
    3.7220    1.4150    0.0730 H   0  0  0  0  0
    0.2820   -1.5690   -0.2020 H   0  0  0  0  0
    8.2690    0.5810    0.0700 H   0  0  0  0  0
  1 13  2  0  0  0
  1 28  1  0  0  0
  2 22  2  0  0  0
  3 15  2  0  0  0
  3 29  1  0  0  0
  4  2  1  0  0  0
  5  4  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6 18  1  0  0  0
  6 31  1  0  0  0
  6 32  1  0  0  0
  7 24  2  0  0  0
  8  7  1  0  0  0
  8 20  1  0  0  0
  9  8  2  0  0  0
  9 33  1  0  0  0
 10  9  1  0  0  0
 10 34  1  0  0  0
 11 10  2  0  0  0
 11 35  1  0  0  0
 12 11  1  0  0  0
 13 12  1  0  0  0
 13 23  1  0  0  0
 14  1  1  0  0  0
 15  2  1  0  0  0
 15 27  1  0  0  0
 16  3  1  0  0  0
 16 36  1  0  0  0
 17 16  2  0  0  0
 17 37  1  0  0  0
 18  5  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19  4  2  0  0  0
 20 12  2  0  0  0
 20 40  1  0  0  0
 21 14  1  0  0  0
 21 19  1  0  0  0
 22 21  1  0  0  0
 23 19  1  0  0  0
 23 41  1  0  0  0
 25  7  1  0  0  0
 25 42  1  0  0  0
 26 14  2  0  0  0
 27 17  1  0  0  0
M  END
$$$$
