REMARK  Name = BDB038355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.426  -1.773  -0.246  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -0.311  -0.989   0.094  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.951  -1.235  -0.462  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        1.067  -2.300  -1.372  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.032  -3.100  -1.700  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.276  -2.841  -1.133  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.081  -0.436  -0.133  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.135   0.578   0.830  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.309   0.980   1.628  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.486   1.150   0.770  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.021   2.184   1.516  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.346   2.542   1.265  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.096   1.865   0.285  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.539   0.812  -0.466  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.215   0.471  -0.201  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.357  -0.585  -0.819  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.332   0.081  -1.515  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        6.394  -1.258  -1.274  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.620   0.504  -1.624  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.786   0.208  -2.756  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  24
ATOM     21  C   LIG    1       -5.387  -2.582   2.339  0.00  0.00    +0.172 C 
ATOM     22  N   LIG    1       -4.475  -1.841   1.502  0.00  0.00    -0.273 N 
ATOM     23  N   LIG    1       -3.368  -2.445   1.050  0.00  0.00    -0.171 NA
ATOM     24  C   LIG    1       -2.731  -1.493   0.344  0.00  0.00    +0.103 A 
ATOM     25  C   LIG    1       -3.500  -0.291   0.307  0.00  0.00    +0.064 A 
ATOM     26  C   LIG    1       -4.607  -0.550   1.084  0.00  0.00    +0.120 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -3.181   1.029  -0.464  0.00  0.00    +0.167 A 
ATOM     28  N   LIG    1       -3.876   2.211  -0.464  0.00  0.00    -0.316 N 
ATOM     29  C   LIG    1       -5.052   2.560   0.281  0.00  0.00    +0.152 C 
ATOM     30  C   LIG    1       -3.211   3.048  -1.310  0.00  0.00    +0.225 A 
ATOM     31  N   LIG    1       -2.170   2.431  -1.811  0.00  0.00    -0.138 NA
ATOM     32  N   LIG    1       -2.149   1.166  -1.275  0.00  0.00    -0.129 NA
ENDBRANCH  25  27
ENDBRANCH   1  24
TORSDOF 4