IFLAB-ZINC04032021
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  0  0  0  0  0  0999 V2000
    0.0960    1.9110    0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070    1.7140   -1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9150    1.4310   -1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8620    1.2180   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270    0.7000    1.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2930    1.6160   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    1.8580   -2.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840    2.1520   -2.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9470    2.1650   -3.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9710    1.9510   -4.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7120    1.0370    0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460    2.7920    0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5860    2.0870    1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3580    1.3530   -2.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3630    2.3390   -1.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8780    0.7280   -0.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6970    2.0880    0.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2680    1.7470   -3.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8130    3.1360   -1.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820    1.3870   -1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1630    2.3890   -4.0720 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6 15  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
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
M  CHG  1  21  -1
M  END