REMARK  Name = BDB014722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.902  -0.206  -0.514  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.588   0.372   0.551  0.00  0.00    +0.134 A 
ATOM      3  N   LIG    1        2.941   0.517   0.622  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1        3.672   0.067  -0.416  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1        3.089  -0.524  -1.529  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.698  -0.660  -1.571  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        5.107   0.248  -0.283  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        5.846   1.114   0.584  0.00  0.00    +0.174 A 
ATOM      9  N   LIG    1        7.177   0.957   0.398  0.00  0.00    -0.167 NA
ATOM     10  N   LIG    1        7.274   0.011  -0.546  0.00  0.00    -0.273 N 
ATOM     11  C   LIG    1        8.580  -0.421  -0.982  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1        6.070  -0.445  -0.990  0.00  0.00    +0.118 A 
BRANCH   8  13
ATOM     13  C   LIG    1        5.284   2.102   1.579  0.00  0.00    +0.437 C 
ATOM     14  F   LIG    1        4.693   1.501   2.648  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        6.250   2.915   2.103  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        4.369   2.944   1.024  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  N   LIG    1       -0.497  -0.363  -0.590  0.00  0.00    -0.297 N 
ATOM     18  H   LIG    1       -0.779  -0.799  -1.459  0.00  0.00    +0.154 HD
BRANCH  17  24
ATOM     19  C   LIG    1       -7.207  -1.117  -2.069  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -5.702  -1.135  -2.158  0.00  0.00    +0.213 C 
ATOM     21  N   LIG    1       -4.989  -0.817  -1.009  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1       -3.522  -0.939  -1.116  0.00  0.00    +0.148 C 
ATOM     23  C   LIG    1       -2.849  -0.254   0.018  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -1.476   0.006   0.272  0.00  0.00    +0.150 A 
ATOM     25  N   LIG    1       -1.329   0.636   1.442  0.00  0.00    -0.156 NA
ATOM     26  N   LIG    1       -2.575   0.804   1.916  0.00  0.00    -0.269 N 
ATOM     27  C   LIG    1       -2.758   1.491   3.172  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1       -3.519   0.264   1.105  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -4.988   0.234   1.286  0.00  0.00    +0.074 C 
ATOM     30  C   LIG    1       -5.579  -0.842   0.349  0.00  0.00    +0.114 C 
ATOM     31  O   LIG    1       -5.148  -1.415  -3.222  0.00  0.00    -0.276 OA
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 4