REMARK  Name = BDB031064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.182  -0.760   0.496  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.038  -0.257   0.201  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.025  -1.113  -0.120  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -1.821  -2.491  -0.122  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.567  -3.000   0.202  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.457  -2.119   0.521  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.379  -0.107  -0.968  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1        3.107  -0.399  -0.658  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        2.447   0.359   0.313  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        3.045   1.453   0.945  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        2.221   2.042   1.783  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.054   1.330   1.693  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.385   1.773   0.585  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        1.169   0.250   0.835  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        5.027   1.032  -0.338  0.00  0.00    +0.051 A 
BRANCH   7  17
ATOM     16  C   LIG    1        6.077  -1.626  -1.391  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        5.072  -0.778  -1.946  0.00  0.00    -0.494 OA
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  N   LIG    1       -3.315  -0.634  -0.411  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1       -3.608  -1.046  -1.294  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.433   0.846  -0.443  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -3.488   1.460   0.956  0.00  0.00    +0.201 C 
ATOM     22  F   LIG    1       -3.087   2.765   0.875  0.00  0.00    -0.242 F 
ATOM     23  C   LIG    1       -4.972   1.436   1.335  0.00  0.00    +0.119 C 
ATOM     24  N   LIG    1       -5.739   0.972   0.153  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.813  -0.046   0.235  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -4.821   1.236  -0.973  0.00  0.00    +0.106 C 
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4