REMARK  Name = BDB020551
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.138  -4.361  -1.189  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -3.035  -3.080  -0.513  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -4.141  -2.235  -0.526  0.00  0.00    +0.235 C 
ATOM      4  O   LIG    1       -5.172  -2.495  -1.150  0.00  0.00    -0.274 OA
ATOM      5  C   LIG    1       -4.056  -0.956   0.289  0.00  0.00    +0.219 C 
ATOM      6  N   LIG    1       -2.697  -0.594   0.625  0.00  0.00    -0.320 N 
ATOM      7  C   LIG    1       -1.718  -1.546   0.760  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -0.589  -0.849   1.127  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1       -0.865   0.494   1.180  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -2.143   0.638   0.876  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -2.023  -2.971   0.529  0.00  0.00    +0.163 C 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.728  -1.396   1.402  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        1.897  -0.869   0.781  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.157  -1.431   1.091  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        4.315  -0.928   0.478  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        4.212   0.114  -0.435  0.00  0.00    +0.075 A 
ATOM     17  N   LIG    1        3.025   0.671  -0.760  0.00  0.00    -0.254 NA
ATOM     18  C   LIG    1        3.244  -2.490   2.009  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1        2.099  -2.998   2.617  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        1.916   0.181  -0.151  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        0.859  -2.452   2.313  0.00  0.00    +0.133 A 
ATOM     22  F   LIG    1       -0.219  -2.972   2.922  0.00  0.00    -0.205 F 
BRANCH  16  23
ATOM     23  C   LIG    1        5.383   0.663  -1.097  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        5.358   1.714  -1.994  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        6.645   1.925  -2.384  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        7.118   2.923  -3.311  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.524   1.083  -1.809  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.753   0.319  -1.028  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH   8  12
BRANCH  10  29
ATOM     29  C   LIG    1       -2.825   1.977   0.795  0.00  0.00    +0.059 C 
ATOM     30  C   LIG    1       -3.100   2.402  -0.647  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -3.708   3.803  -0.694  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -4.481   4.137   0.459  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -5.116   3.016   1.059  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -4.068   2.102   1.685  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3