KEYORGANICS-ZINC00156729
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 19 19  0  0  0  0  0  0  0  0999 V2000
    0.0450    1.3680   -0.3690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -0.0130   -0.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3130   -0.6790   -0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    0.0840   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    1.4400   -0.2380 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2480    2.0430   -0.3620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1020   -0.6540    0.1020 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1640    0.8280    0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5870    0.3070    0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420    0.0790   -0.7480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3050   -2.1640   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7210   -2.8190   -1.0200 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8940    1.8980   -0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8420   -0.5860   -0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2850    3.1240   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890    1.3620   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880    1.5010    0.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730    0.2300    1.5150 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8110   -2.6420    1.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
M  CHG  1  12  -1
M  CHG  1  18  -1
M  END