B19KNQ
  -OEChem-04012114252D

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    3.7840    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.9313    6.7735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165    2.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0081    3.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2144    2.7363    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5680    4.4319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840    6.2382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0043    9.6267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9017    3.6862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6624   11.1048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9239    4.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9750    7.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6208    5.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9021    4.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145    4.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5712    5.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    6.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1182    3.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6442    7.9325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3351    8.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392    6.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086    3.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3053    4.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5933    4.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    3.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2258    3.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9250    6.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6058    5.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9988    9.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7964   10.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4055   10.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933    7.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4276    6.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0259    7.4439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1916    8.2235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9534    9.3721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877    8.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1371    6.8596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7885    2.8847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0028    5.3440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    2.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5115    6.5257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    8.9852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2300   10.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4033    3.2238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120   10.5646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7840    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 49  1  0  0  0  0
  2 18  2  0  0  0  0
  3 19  2  0  0  0  0
  4 24  1  0  0  0  0
  4 47  1  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  8 21  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 26  1  0  0  0  0
 10 31  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 19  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 28  2  0  0  0  0
 22 39  1  0  0  0  0
 23 27  2  0  0  0  0
 23 40  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 27  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 30 32  2  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
 32 48  1  0  0  0  0
M  CHG  2   5  -1   9   1
M  END

$$$$