REMARK  Name = BDB017601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.575  -1.591   2.767  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -5.051  -1.060   1.792  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.724   0.026   1.031  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -7.040   0.526   1.564  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.351   1.946   1.079  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -7.112   2.071  -0.420  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.773   1.607  -0.758  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.134   2.337  -1.061  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -5.150   0.583  -0.054  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.821   0.104  -0.503  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.176  -0.893   0.244  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.915  -1.377  -0.121  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -1.272  -0.875  -1.259  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.919   0.104  -2.023  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.180   0.585  -1.652  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.808  -1.434   1.368  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.367  -2.169   1.902  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.090  -1.394  -1.671  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.122  -0.347  -1.705  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.375  -0.837  -2.315  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.458  -1.332  -1.328  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        3.795  -0.300  -0.331  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        2.799   0.772  -0.147  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.371   0.216  -0.356  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.086  -0.183   0.170  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        5.640   1.032   0.630  0.00  0.00    +0.146 A 
ATOM     27  F   LIG    1        4.936   2.174   0.564  0.00  0.00    -0.203 F 
ATOM     28  C   LIG    1        6.935   1.129   1.144  0.00  0.00    +0.073 A 
ATOM     29  C   LIG    1        7.724  -0.017   1.216  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1        7.221  -1.245   0.781  0.00  0.00    +0.035 A 
ATOM     31  C   LIG    1        5.918  -1.316   0.269  0.00  0.00    +0.028 A 
BRANCH  29  32
ATOM     32  N   LIG    1        9.085   0.067   1.753  0.00  0.00    +0.057 N 
ATOM     33  O   LIG    1        9.485   1.175   2.139  0.00  0.00    -0.126 OA
ATOM     34  O   LIG    1        9.756  -0.974   1.788  0.00  0.00    -0.126 OA
ENDBRANCH  29  32
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 4