BHU2X5
  -OEChem-04042105353D

 45 47  0     0  0  0  0  0  0999 V2000
    4.3637   -2.7532   -0.1712 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2710   -1.7542    0.8686 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7400   -3.2814    1.1159 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816   -2.5015   -0.9294 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4312   -3.4970    1.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2114    4.5096    0.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601    4.9814    1.6273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3154    2.0378   -0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9883    0.3361   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5735   -1.2302    0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3141    1.2047    0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4536    2.8673    0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2511    1.1312    0.0108 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6519    2.4880    0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9590   -0.6042   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046   -1.1115    1.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8128   -0.1314   -0.6735 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0751    0.1059    1.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1831    1.0860   -0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1172    2.1493   -1.8642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7901    0.4476   -2.2431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8547    1.3543   -2.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458   -3.6099   -1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5572   -1.6267    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3004   -0.4862   -0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0209    4.2231    0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4966   -2.5311    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2398   -1.3907   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8379   -2.4133    0.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4069    1.0533    1.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2064    3.1302    1.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   -1.9557    1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4809   -0.2033   -1.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990    0.1827    2.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3791    1.9333   -1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6079    2.8513   -2.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3496   -0.1668   -2.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6993    1.4403   -3.8132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6831   -4.5818   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904   -3.7469   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -3.0246   -2.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6366    0.3070   -1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838   -3.3271    1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2845   -1.2985   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5466    5.3920    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1 10  1  0  0  0  0
  1 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 29  1  0  0  0  0
  6 26  1  0  0  0  0
  6 45  1  0  0  0  0
  7 26  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  2  0  0  0  0
  9 13  2  0  0  0  0
  9 15  1  0  0  0  0
  9 21  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 24  2  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 22  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  2  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 42  1  0  0  0  0
 27 29  2  0  0  0  0
 27 43  1  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
M  END

$$$$