REMARK  Name = BDB060414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.950   2.023  -0.115  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -3.644   0.634  -0.185  0.00  0.00    +0.003 C 
ATOM      3  C   LIG    1       -2.722  -0.469  -0.843  0.00  0.00    -0.023 C 
ATOM      4  C   LIG    1       -3.322  -1.894  -0.589  0.00  0.00    +0.010 C 
ATOM      5  C   LIG    1       -4.833  -1.880  -0.375  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -5.197  -1.069   0.870  0.00  0.00    +0.115 C 
ATOM      7  C   LIG    1       -2.736  -0.212  -2.373  0.00  0.00    +0.012 C 
ATOM      8  C   LIG    1       -1.259  -0.440  -0.230  0.00  0.00    +0.030 C 
ATOM      9  C   LIG    1       -0.270  -1.487  -0.832  0.00  0.00    +0.119 C 
ATOM     10  C   LIG    1        1.135  -1.445  -0.192  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        1.759  -0.034  -0.183  0.00  0.00    -0.023 C 
ATOM     12  C   LIG    1        0.737   0.894   0.523  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1        1.525   2.177   0.764  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        2.942   1.684   1.099  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        2.966   0.159   0.791  0.00  0.00    -0.002 C 
ATOM     16  C   LIG    1        2.110   0.426  -1.615  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -0.635   0.991  -0.175  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -4.249   0.113   1.127  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1       -1.571   1.977   0.557  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1       -3.829   3.547   1.852  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1       -3.884   3.158   0.382  0.00  0.00    +0.003 C 
ENDBRANCH   1  21
BRANCH   6  22
ATOM     22  O   LIG    1       -5.184  -1.933   2.006  0.00  0.00    -0.392 OA
ATOM     23  H   LIG    1       -5.362  -1.383   2.788  0.00  0.00    +0.210 HD
ENDBRANCH   6  22
BRANCH  15  24
ATOM     24  C   LIG    1        4.390  -0.399   0.503  0.00  0.00    -0.010 C 
ATOM     25  C   LIG    1        5.126   0.200  -0.699  0.00  0.00    +0.008 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.394  -1.946   0.454  0.00  0.00    +0.014 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.786  -2.579   0.582  0.00  0.00    +0.121 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.485  -2.795  -0.743  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        5.952  -2.757  -1.840  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.799  -3.080  -0.591  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        8.095  -3.101   0.339  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  15  24
BRANCH   9  32
ATOM     32  O   LIG    1       -0.134  -1.321  -2.237  0.00  0.00    -0.391 OA
ATOM     33  H   LIG    1        0.441  -2.033  -2.567  0.00  0.00    +0.210 HD
ENDBRANCH   9  32
BRANCH  19  34
ATOM     34  O   LIG    1       -1.706   1.608   1.926  0.00  0.00    -0.391 OA
ATOM     35  H   LIG    1       -0.903   1.896   2.392  0.00  0.00    +0.210 HD
ENDBRANCH  19  34
TORSDOF 9