MDPI-ZINC01600237
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0120    1.3720   -0.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0160   -0.0090   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -0.6810   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3640    0.0390    0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290    1.4200    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430    2.0850    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630    2.1880    0.5510 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6080    1.6020    0.7690 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5330    3.4050    0.5630 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2370   -2.0790   -0.0200 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690   -2.7590   -0.9740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.9130   -2.2480 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070   -4.1040   -0.9230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360    1.8950   -0.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870   -0.5660   -0.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910   -0.4800    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180    3.1650    0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400   -2.5600    0.6560 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9430   -4.5830   -0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -4.5940   -1.6090 H   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 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  END