REMARK  Name = BDB001130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.899  -0.163  -0.410  0.00  0.00    +0.127 C 
ENDROOT
BRANCH   1   9
ATOM      2  O   LIG    1       -8.225  -1.339   0.344  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1       -7.056  -1.007   0.193  0.00  0.00    +0.264 A 
ATOM      4  C   LIG    1       -6.621   0.394   0.101  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1       -5.260   0.671  -0.090  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -4.862   2.018  -0.155  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -5.795   3.054  -0.043  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -7.141   2.760   0.139  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -4.329  -0.407  -0.208  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -4.732  -1.730  -0.075  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -3.962  -2.688  -0.111  0.00  0.00    -0.246 OA
ATOM     12  C   LIG    1       -7.549   1.433   0.212  0.00  0.00    +0.138 A 
ATOM     13  F   LIG    1       -8.855   1.192   0.395  0.00  0.00    -0.205 F 
ATOM     14  N   LIG    1       -6.066  -1.948   0.105  0.00  0.00    -0.274 N 
ATOM     15  H   LIG    1       -6.353  -2.912   0.185  0.00  0.00    +0.173 HD
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -2.159   0.017   0.919  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.683   0.388   0.747  0.00  0.00    +0.017 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.164  -0.753   0.163  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.562  -0.357  -0.075  0.00  0.00    -0.298 NA
ATOM     20  C   LIG    1        2.264  -1.401  -0.843  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        3.677  -0.948  -1.249  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.427  -0.314  -0.105  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        3.771   0.054   1.011  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        2.284  -0.087   1.181  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.885  -0.136  -0.223  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        6.720  -1.215  -0.538  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        8.102  -1.036  -0.654  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.662   0.224  -0.457  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.843   1.307  -0.143  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.462   1.127  -0.027  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6