IFLAB-ZINC04032021
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  0  0  0  0  0  0999 V2000
    0.0320    1.1250   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950    1.6670   -1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940    1.8320   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2060    2.3510   -1.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9210    2.7350   -3.0170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250    2.4240   -1.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3370    1.9620   -2.4570 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0450    1.8170   -2.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    2.2560   -4.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2260    2.6700   -4.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4890    0.1860   -0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8280    1.8450    0.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870    0.9180    0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5650    1.5780    0.0530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8180    1.6490   -0.6360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8060    3.4100   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3120    2.2590   -2.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9650    2.3420   -3.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    2.4270   -2.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    0.7690   -2.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4460    2.1480   -4.7720 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