REMARK  Name = BDB040754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.287   0.259  -1.367  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -0.855   1.223  -0.991  0.00  0.00    +0.129 C 
ATOM      3  N   LIG    1       -1.636   0.061  -0.665  0.00  0.00    -0.326 N 
ATOM      4  C   LIG    1       -0.827  -0.799  -1.488  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.028  -0.009  -0.469  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -3.715  -1.219  -0.618  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -5.093  -1.286  -0.407  0.00  0.00    +0.132 A 
ATOM      8  F   LIG    1       -5.709  -2.465  -0.575  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -5.833  -0.164  -0.038  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.139   1.036   0.115  0.00  0.00    +0.132 A 
ATOM     11  F   LIG    1       -5.803   2.148   0.462  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.762   1.119  -0.090  0.00  0.00    +0.062 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -7.326  -0.261   0.187  0.00  0.00    +0.111 C 
ATOM     14  C   LIG    1       -7.737   0.201   1.583  0.00  0.00    +0.227 C 
ATOM     15  O   LIG    1       -7.046   0.027   2.586  0.00  0.00    -0.275 OA
ATOM     16  N   LIG    1       -8.986   0.765   1.698  0.00  0.00    -0.256 N 
ATOM     17  H   LIG    1       -9.259   1.039   2.632  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1       -9.960   0.859   0.737  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1      -11.091   1.247   1.017  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -9.591   0.382  -0.645  0.00  0.00    +0.097 C 
ATOM     21  C   LIG    1       -8.096   0.513  -0.889  0.00  0.00    +0.027 C 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  23
ATOM     22  C   LIG    1        2.353  -0.796  -0.461  0.00  0.00    +0.401 C 
ATOM     23  N   LIG    1        1.263   0.002  -0.286  0.00  0.00    -0.275 N 
ATOM     24  H   LIG    1        1.042   0.208   0.680  0.00  0.00    +0.152 HD
ATOM     25  O   LIG    1        2.700  -1.284  -1.526  0.00  0.00    -0.226 OA
BRANCH  22  26
ATOM     26  O   LIG    1        2.975  -0.965   0.730  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.144  -1.802   0.712  0.00  0.00    +0.237 C 
BRANCH  27  30
ATOM     28  C   LIG    1        7.273  -0.274   1.139  0.00  0.00    -0.008 C 
ATOM     29  C   LIG    1        5.791   0.088   1.446  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        5.365  -0.959   0.388  0.00  0.00    +0.027 C 
ATOM     31  C   LIG    1        6.736  -1.638   0.616  0.00  0.00    +0.010 C 
BRANCH  28  33
ATOM     32  C   LIG    1        9.360  -0.015  -0.234  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        8.015   0.618   0.130  0.00  0.00    -0.014 C 
ATOM     34  C   LIG    1        8.249   2.004   0.732  0.00  0.00    +0.007 C 
ENDBRANCH  28  33
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH   1  23
TORSDOF 7