ALFAAESAR-ZINC04978152
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 22 22  0  0  0  0  0  0  0  0999 V2000
    0.4430    1.4720   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2270   -0.0190   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -0.6930    1.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1440   -2.1530    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2080   -2.8140   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3180   -2.0590   -1.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1110   -0.6840   -1.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2520    0.1100   -2.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -4.2760   -0.1680 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.7480   -4.8550   -1.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240   -4.9980    0.9280 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.2610   -2.8410    2.2600 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5600   -2.2630    3.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   -1.7040    4.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680    1.6850   -0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480    1.9260   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660    1.8830    0.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6180   -0.1690    2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750   -2.5330   -2.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7290    0.2390   -2.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070   -0.4230   -3.1690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790    1.0860   -2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  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 18  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  2  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  END