REMARK  Name = BDB005131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.131   2.665   0.656  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.851   1.969  -0.260  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -1.712   0.978   0.249  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -2.608   0.306  -0.585  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.643   0.637  -1.945  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.790   1.613  -2.463  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -0.895   2.274  -1.625  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  N   LIG    1       -3.497  -0.699  -0.146  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -4.101  -1.084  -0.864  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1       -3.625  -1.220   1.129  0.00  0.00    +0.251 C 
ATOM     11  O   LIG    1       -2.957  -0.892   2.105  0.00  0.00    -0.270 OA
BRANCH  10  12
ATOM     12  C   LIG    1       -4.669  -2.276   1.318  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1       -5.462  -2.767   0.277  0.00  0.00    +0.135 A 
ATOM     14  F   LIG    1       -5.324  -2.304  -0.976  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -6.423  -3.753   0.503  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -6.604  -4.266   1.786  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -5.822  -3.791   2.837  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.861  -2.803   2.606  0.00  0.00    +0.016 A 
ENDBRANCH  10  12
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  N   LIG    1        1.284   1.811   0.928  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1        0.991   0.840   1.001  0.00  0.00    +0.148 HD
BRANCH  19  24
ATOM     21  C   LIG    1        5.659   0.312  -0.524  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        4.551   1.172  -0.682  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        3.488   1.042   0.234  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        2.380   1.898   0.046  0.00  0.00    +0.130 A 
ATOM     25  N   LIG    1        2.359   2.831  -0.917  0.00  0.00    -0.220 NA
ATOM     26  C   LIG    1        3.414   2.883  -1.726  0.00  0.00    +0.223 A 
ATOM     27  C   LIG    1        3.567   0.090   1.283  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.668  -0.743   1.423  0.00  0.00    +0.002 A 
ATOM     29  N   LIG    1        4.495   2.098  -1.666  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        5.710  -0.635   0.517  0.00  0.00    +0.015 A 
BRANCH  21  34
ATOM     31  N   LIG    1        6.874   1.232  -2.455  0.00  0.00    -0.325 N 
ATOM     32  H   LIG    1        7.676   1.258  -3.067  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1        6.102   1.876  -2.599  0.00  0.00    +0.145 HD
ATOM     34  C   LIG    1        6.852   0.334  -1.429  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        7.797  -0.431  -1.268  0.00  0.00    -0.270 OA
ENDBRANCH  21  34
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6