B31VEK
  -OEChem-04022105032D

 63 65  0     1  0  0  0  0  0999 V2000
   12.2988    7.8290    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    4.3649    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5819    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9479    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9479    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988   11.2931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    7.8290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1800    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3140    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988   10.4270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7988    8.6950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7988    8.6950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    9.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   11.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2988    9.5610    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7988   10.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    9.5610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    9.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   11.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    7.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    8.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   10.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2988    7.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7988    6.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988    6.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    6.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988    8.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    6.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7988    6.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7988    5.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7988    8.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2988    6.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2988    7.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7988    5.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4479    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3140    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9642    9.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    9.3131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526   11.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9642   11.7987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6088    9.0241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8814    9.7731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1912   10.1716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.8070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   12.0470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6788    7.8290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088    9.2319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1088    8.1581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1788    8.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4888    6.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9188    6.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4888    9.2319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4888    7.4999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1088    6.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088    4.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1088    9.2319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6788    6.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7169    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3 38  1  0  0  0  0
  4 38  1  0  0  0  0
  5 38  1  0  0  0  0
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  8 39  1  0  0  0  0
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 11 22  1  0  0  0  0
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 11 52  1  0  0  0  0
 17 12  1  6  0  0  0
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 38 39  1  0  0  0  0
M  END

$$$$