MDPI-ZINC03852559
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.0180    1.4610    0.0100 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
    0.0230   -0.7960    1.0880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -2.1030    0.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -2.0660   -0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -0.8160   -1.1380 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0600   -3.2770    1.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0790   -4.2080    2.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -0.3470    2.4990 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0210   -0.1770    3.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -0.1490    3.0690 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0050    1.8380    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450    1.8220   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    1.8120    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280   -2.9240   -1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 15  1  0  0  0  0
  7  8  3  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  END