ZW9
  CCTOOLS-0814260951

 42 45  0  0  1  0  0  0  0  0999 V2000
   -5.0950    1.3860   -0.5760 N   0  0  0  0  0
   -5.5970    2.1150    0.4240 C   0  0  0  0  0
   -6.9140    2.1320    0.6150 N   0  0  0  0  0
   -4.8190    2.8580    1.2660 N   0  0  0  0  0
   -3.4330    2.9040    1.1570 C   0  0  0  0  0
   -2.7840    3.5940    1.9370 O   0  0  0  0  0
   -1.5150    2.0750   -0.1550 N   0  0  0  0  0
   -0.9390    1.4650   -1.3550 C   0  0  0  0  0
   -1.8470    0.3420   -1.9430 C   0  0  0  0  0
   -3.2680    0.6190   -1.7680 N   0  0  0  0  0
   -2.8820    2.1260    0.0740 C   0  0  0  0  0
   -3.7490    1.3710   -0.7410 C   0  0  0  0  0
    0.4860    0.9750   -1.0820 C   0  0  0  0  0
    1.6430    2.1560   -0.8120 S   0  5  0  0  0
    0.8240   -0.3340   -1.0950 C   0  0  0  0  0
    2.4540   -0.7380   -0.9980 S   0  5  0  0  0
   -0.2250   -1.4290   -1.2120 C   0  0  0  0  0
   -1.5720   -0.9270   -1.3230 O   0  0  0  0  0
   -0.2800   -2.3750   -0.0130 C   0  0  0  0  0
   -1.1060   -3.5110   -0.3210 O   0  0  0  0  0
   -1.1340   -4.7920    0.5900 P   0  0  0  0  0
   -1.5250   -4.4840    1.9950 O   0  0  0  0  0
   -2.1130   -5.7750   -0.0860 O   0  0  0  0  0
    0.2650   -5.4370    0.4960 O   0  0  0  0  0
    3.5760    1.0970   -0.2410 MO  0  0  0  0  0
    2.7060    0.7130    1.9530 S   0  6  0  0  0
    4.9500    0.2430    0.1360 O   0  5  0  0  0
    4.3190    2.4890    0.2790 O   0  5  0  0  0
   -7.4420    1.6690    0.0880 H   0  0  0  0  0
   -7.2640    2.6040    1.2680 H   0  0  0  0  0
   -5.2040    3.3240    1.9060 H   0  0  0  0  0
   -0.9900    2.4250    0.4430 H   0  0  0  0  0
   -0.8790    2.1670   -2.0510 H   0  0  0  0  0
   -1.6720    0.2660   -2.9140 H   0  0  0  0  0
   -3.8450    0.2900   -2.3520 H   0  0  0  0  0
   -0.0090   -1.9630   -2.0220 H   0  0  0  0  0
   -0.6430   -1.8930    0.7620 H   0  0  0  0  0
    0.6270   -2.6730    0.2130 H   0  0  0  0  0
   -2.1630   -6.5180    0.3940 H   0  0  0  0  0
    0.4340   -5.6540   -0.3460 H   0  0  0  0  0
    4.7450   -0.4990    0.5320 H   0  0  0  0  0
    3.7720    2.9640    0.7540 H   0  0  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5 11  1  0  0  0
  5  6  2  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 33  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 13 15  2  0  0  0
 13 14  1  0  0  0
 14 25  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 16 25  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 17 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 21 24  1  0  0  0
 23 39  1  0  0  0
 24 40  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 25 28  1  0  0  0
 27 41  1  0  0  0
 28 42  1  0  0  0
M  CHG  1  14  -1
M  CHG  1  16  -1
M  CHG  1  26  -2
M  CHG  1  27  -1
M  CHG  1  28  -1
M  END
$$$$
