DWC
  CCTOOLS-0807261402

 44 54  0  0  0  0  0  0  0  0999 V2000
   -3.5430    2.2700    3.0120 O   0  0  0  0  0
   -2.3760    2.0570    2.7310 C   0  0  0  0  0
   -1.8100    1.1260    1.7180 C   0  0  0  0  0
   -2.4340    0.2230    0.7990 C   0  0  0  0  0
   -3.8270    0.0470    0.6830 C   0  0  0  0  0
   -4.3220   -0.8530   -0.2230 C   0  0  0  0  0
   -3.4070   -1.5700   -1.0070 C   0  0  0  0  0
   -1.6000   -0.5360   -0.0390 C   0  0  0  0  0
   -2.0870   -1.4120   -0.9570 N   0  0  0  0  0
   -0.1980   -0.3890    0.0470 C   0  0  0  0  0
    0.6960   -1.0870   -0.7190 N   0  5  0  0  0
   -0.2480   -2.5830   -2.4090 OS  0  0  0  0  0
    0.4190   -4.5200   -2.6340 C   0  0  0  0  0
    1.2800   -3.4690   -2.2510 C   0  0  0  0  0
    1.1410   -2.4270   -3.2020 C   0  0  0  0  0
    0.1690   -2.8390   -4.1630 C   0  0  0  0  0
   -0.2680   -4.1320   -3.8080 C   0  5  0  0  0
   -1.8610   -1.2770   -3.4400 C   0  5  0  0  0
   -2.6720   -0.5880   -4.0400 O   0  3  0  0  0
   -1.3030    2.6840    3.3430 N   0  0  0  0  0
   -0.0960    2.2490    2.8300 C   0  0  0  0  0
    0.9880    2.6560    3.2110 O   0  0  0  0  0
   -0.4060    1.2400    1.7780 C   0  0  0  0  0
    0.4080    0.4730    0.9330 C   0  0  0  0  0
    1.8290    0.3280    0.7130 C   0  0  0  0  0
    1.9790   -0.6390   -0.3120 C   0  0  0  0  0
    3.2410   -1.0060   -0.7610 C   0  0  0  0  0
    4.3420   -0.4130   -0.1900 C   0  0  0  0  0
    4.2070    0.5430    0.8230 C   0  0  0  0  0
    5.3700    1.0720    1.3230 O   0  0  0  0  0
    2.9580    0.9170    1.2790 C   0  0  0  0  0
   -4.4090    0.5370    1.2360 H   0  0  0  0  0
   -5.2480   -0.9890   -0.3150 H   0  0  0  0  0
   -3.7540   -2.1800   -1.6360 H   0  0  0  0  0
   -0.9030   -4.6470   -4.2730 H   0  0  0  0  0
   -1.3870    3.2850    3.9820 H   0  0  0  0  0
    3.3440   -1.6450   -1.4410 H   0  0  0  0  0
    5.2060   -0.6530   -0.4860 H   0  0  0  0  0
    5.1990    1.6480    1.9380 H   0  0  0  0  0
    2.8690    1.5560    1.9550 H   0  0  0  0  0
   -0.1120   -2.3460   -4.9140 H   0  0  0  0  0
    1.5970   -1.6040   -3.1960 H   0  0  0  0  0
    1.8500   -3.4730   -1.5040 H   0  0  0  0  0
    0.3090   -5.3360   -2.1770 H   0  0  0  0  0
  1  2  2  0  0  0
  2 20  1  0  0  0
  3 23  1  0  0  0
  3  2  1  0  0  0
  4  3  2  0  0  0
  5  4  1  0  0  0
  5 32  1  0  0  0
  6  5  2  0  0  0
  6 33  1  0  0  0
  7  9  2  0  0  0
  7  6  1  0  0  0
  7 34  1  0  0  0
  8 10  2  0  0  0
  8  4  1  0  0  0
  9  8  1  0  0  0
 10 24  1  0  0  0
 11 10  1  0  0  0
 11 26  1  0  0  0
 12  9  1  0  0  0
 12 11  1  0  0  0
 13 12  1  0  0  0
 14 13  2  0  0  0
 14 12  1  0  0  0
 15 14  1  0  0  0
 15 12  1  0  0  0
 16 15  2  0  0  0
 16 17  1  0  0  0
 16 12  1  0  0  0
 17 13  1  0  0  0
 17 12  1  0  0  0
 17 35  1  0  0  0
 18 12  1  0  0  0
 19 18  3  0  0  0
 20 36  1  0  0  0
 21 20  1  0  0  0
 21 22  2  0  0  0
 23 21  1  0  0  0
 24 25  1  0  0  0
 24 23  2  0  0  0
 25 31  2  0  0  0
 26 25  1  0  0  0
 27 26  2  0  0  0
 27 28  1  0  0  0
 27 37  1  0  0  0
 28 29  2  0  0  0
 28 38  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 30 39  1  0  0  0
 31 40  1  0  0  0
 41 16  1  0  0  0
 42 15  1  0  0  0
 43 14  1  0  0  0
 44 13  1  0  0  0
M  CHG  1  11  -1
M  CHG  1  17  -1
M  CHG  1  18  -1
M  CHG  1  19   1
M  END
$$$$
