REMARK  Name = BDB014923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.826   5.464   0.065  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.636   4.965   0.471  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -4.295   6.173   0.988  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -3.424   4.458   0.884  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.041   3.059   0.615  0.00  0.00    -0.281 N 
ATOM      6  C   LIG    1       -1.766   2.587   1.055  0.00  0.00    +0.149 C 
ATOM      7  C   LIG    1       -1.532   1.196   0.672  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.320   0.499   0.493  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -0.651  -0.720   0.156  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -1.995  -0.854   0.106  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.568   0.288   0.410  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -3.934   0.792   0.517  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -3.950   2.211  -0.103  0.00  0.00    +0.116 C 
ATOM     14  O   LIG    1       -2.547   5.128   1.511  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -2.522  -2.140  -0.225  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1       -3.986  -2.296  -0.266  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -4.242  -3.820  -0.354  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1       -3.075  -4.495  -0.742  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1       -2.512  -3.948  -1.894  0.00  0.00    +0.162 C 
ATOM     20  C   LIG    1       -1.969  -2.571  -1.575  0.00  0.00    +0.055 C 
ENDBRANCH  10  15
BRANCH   8  21
ATOM     21  N   LIG    1        0.955   1.053   0.674  0.00  0.00    -0.295 N 
ATOM     22  H   LIG    1        0.960   2.090   0.998  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.216   0.439   0.487  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1        3.376   1.159   0.811  0.00  0.00    +0.180 A 
ATOM     25  F   LIG    1        3.208   2.396   1.321  0.00  0.00    -0.201 F 
ATOM     26  C   LIG    1        4.642   0.638   0.625  0.00  0.00    +0.168 A 
ATOM     27  F   LIG    1        5.751   1.347   0.942  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        4.820  -0.626   0.106  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        3.708  -1.345  -0.216  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        2.429  -0.817  -0.026  0.00  0.00    +0.027 A 
BRANCH  28  31
ATOM     31  C   LIG    1        6.173  -1.173  -0.103  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1        7.259  -1.210   0.743  0.00  0.00    +0.116 A 
ATOM     33  N   LIG    1        8.302  -1.815   0.129  0.00  0.00    -0.274 N 
ATOM     34  C   LIG    1        9.614  -2.046   0.723  0.00  0.00    +0.172 C 
ATOM     35  N   LIG    1        7.891  -2.159  -1.078  0.00  0.00    -0.179 NA
ATOM     36  C   LIG    1        6.610  -1.795  -1.273  0.00  0.00    +0.143 A 
ENDBRANCH  28  31
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4