NCID-ZINC01700833
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0060    1.3780    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0370   -0.0180    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2540   -0.7230   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    0.0300   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    1.4340   -0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960    2.1030   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900    2.5120   -0.0320 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.7280   -0.6390   -0.0380 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.3620   -0.6690   -1.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1390   -1.0310    1.0650 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2260   -2.2270   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2110   -2.8100   -0.5810 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9480    1.8970    0.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9030   -0.5700    0.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520    3.1890    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070   -2.7870    0.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  CHG  1   8   1
M  CHG  1  10  -1
M  CHG  1  12  -1
M  END