BK3X0P
  -OEChem-04012115043D

 53 54  0     1  0  0  0  0  0999 V2000
    0.3747   -1.8827   -1.2356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6933    1.7376    1.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644    2.2581    0.6793 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6707    4.4939    0.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2735   -1.0219    0.8145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3801   -3.7348    1.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174    1.7253   -0.4757 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -0.3499    0.3161 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7392   -0.8287    1.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8061   -2.4009    0.6200 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5743   -1.7540   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9662   -2.5463   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679    1.1454    0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9907   -0.5490    0.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0220   -0.8806    2.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891   -1.2838   -0.5015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6728    0.6553    0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4652   -1.4951   -0.6796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4488   -0.3159   -1.4466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -1.0870    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415    3.1208   -0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8296    0.9135   -0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6218   -1.2371   -1.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3040   -0.0327   -1.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2083    0.8490   -1.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6486    0.0777    0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3083    1.0457   -0.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1772    3.3779    0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578   -0.5368   -0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8631   -0.3981    2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -1.9136    1.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1532   -1.8372    1.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6449   -3.3479   -0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6211   -2.8572   -1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8535   -0.2371    2.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4333    2.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -1.8531    2.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -3.6684    1.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1570   -4.2145    1.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1761    1.1431   -1.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3230    1.3996    1.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412   -2.4360   -0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -0.4559   -2.1059 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -1.8321    1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9157    3.7045    0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593    3.4269   -1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3619    1.8504   -0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9910   -1.9735   -2.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2048    0.1681   -1.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9427    1.6030   -2.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5045    0.2315    0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8991    1.9530   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6222    2.4499    1.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 13  2  0  0  0  0
  3 28  1  0  0  0  0
  3 53  1  0  0  0  0
  4 28  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 13  1  0  0  0  0
  7 21  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 12 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 41  1  0  0  0  0
 18 23  2  0  0  0  0
 18 42  1  0  0  0  0
 19 25  1  0  0  0  0
 19 43  1  0  0  0  0
 20 26  2  0  0  0  0
 20 44  1  0  0  0  0
 21 28  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 25 27  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
M  END

$$$$