REMARK  Name = BDB014941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.470   0.339   0.197  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1        0.629   1.082   0.866  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -4.826   3.899   2.822  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -3.439   3.385   2.533  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -3.285   2.538   1.442  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -1.900   2.133   1.138  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -1.880   0.960   0.225  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -0.808   0.138  -0.212  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.259  -0.810  -1.040  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.586  -0.610  -1.138  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.000   0.460  -0.404  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.372   0.997  -0.236  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.281   2.421   0.354  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -2.495   3.709   3.254  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.389  -1.506  -1.931  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -3.535  -2.893  -1.330  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -3.904  -3.766  -2.413  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -3.621  -3.093  -3.649  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.854  -1.832  -3.313  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.678  -0.311  -0.146  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        1.764  -1.344  -1.084  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        2.990  -1.956  -1.395  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        4.153  -1.531  -0.736  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        4.103  -0.504   0.211  0.00  0.00    -0.013 A 
ATOM     25  C   LIG    1        2.865   0.095   0.493  0.00  0.00    +0.032 A 
BRANCH  24  26
ATOM     26  C   LIG    1        5.319  -0.067   0.876  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.388   0.464   2.149  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.708   0.718   2.389  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        7.284   1.260   3.596  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        7.511   0.397   1.361  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.667  -0.087   0.446  0.00  0.00    +0.142 A 
ENDBRANCH  24  26
BRANCH  22  32
ATOM     32  C   LIG    1        3.038  -3.083  -2.395  0.00  0.00    +0.417 C 
ATOM     33  F   LIG    1        2.157  -2.931  -3.424  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        2.757  -4.290  -1.834  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        4.262  -3.223  -2.980  0.00  0.00    -0.166 F 
ENDBRANCH  22  32
ENDBRANCH   1  20
TORSDOF 5