REMARK  Name = BDB005632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.676   1.365   0.124  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.288   0.225  -0.431  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -0.451  -0.690  -1.093  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -0.987  -1.858  -1.646  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.388  -2.523  -2.115  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.309  -2.188  -1.593  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -3.214  -1.225  -0.913  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.679  -1.575  -0.883  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -5.486  -0.704   0.087  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.044   0.753   0.009  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -3.610   0.820   0.232  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -3.219   1.763   0.283  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -2.726  -3.227  -2.097  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        0.925  -0.468  -1.223  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.514   0.685  -0.691  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.742  -0.085  -0.370  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.698   1.606  -0.026  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1       -1.286   2.140   2.197  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.411   2.325   0.783  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1        2.995   0.946  -0.860  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.842  -0.160  -0.370  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        3.805  -0.233   1.097  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1        5.228   0.026  -0.859  0.00  0.00    +0.118 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.202  -1.099  -0.492  0.00  0.00    +0.228 C 
ATOM     25  F   LIG    1        6.619  -0.946   0.794  0.00  0.00    -0.248 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 5