REMARK  Name = BDB004901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.618  -0.874   0.984  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -1.270  -0.096  -0.161  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -2.115   0.967  -0.545  0.00  0.00    +0.092 A 
ATOM      4  N   LIG    1       -1.824   1.725  -1.625  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.718   1.441  -2.317  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1        0.145   0.469  -2.044  0.00  0.00    -0.220 NA
ATOM      7  C   LIG    1       -3.270   1.216   0.229  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -3.575   0.443   1.364  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -0.117  -0.291  -0.967  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -2.746  -0.595   1.749  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.251   2.308  -0.077  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -5.245   2.490   0.618  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -4.023   3.108  -1.156  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.204   2.971  -1.741  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.678   3.846  -1.368  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
BRANCH   1  17
ATOM     16  C   LIG    1       -1.367  -3.162   1.173  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.784  -1.879   1.424  0.00  0.00    -0.494 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1        0.738  -1.379  -0.718  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        0.795  -1.527   0.290  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.056  -1.364  -1.337  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.042  -0.598  -0.485  0.00  0.00    -0.028 A 
ATOM     22  C   LIG    1        3.659  -1.211   0.615  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        4.548  -0.488   1.405  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1        5.134  -1.086   2.451  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        4.837   0.842   1.127  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        4.224   1.465   0.042  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        3.329   0.749  -0.758  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 5