ASINEX-ZINC04170578
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0160    1.3010    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740   -0.4290   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0750    0.6530   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580    1.7510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6840    3.1530    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380    3.6110   -1.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540    4.9790   -1.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550    0.6560   -0.0270 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.1740    0.6510    1.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    0.6620   -1.0880 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7200   -1.8410   -0.0240 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8970   -2.7390   -0.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9090   -2.1040   -0.0360 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9020    1.9180    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    3.7690    0.4480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010    3.2520    0.5840 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7190    2.9950   -1.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0220    3.5120   -2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    5.3370   -2.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  CHG  1  12   1
M  CHG  1  14  -1
M  END