REMARK  Name = BDB017604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.463  -1.367   0.117  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        3.217  -1.889  -1.248  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        2.444  -0.855  -2.106  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        1.181  -0.356  -1.511  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.465   0.125  -0.136  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.232  -0.871   0.768  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        7.252   0.419   0.790  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1        6.090   1.124   1.132  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1        4.830   0.525   0.905  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        4.693  -0.749   0.338  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        5.882  -1.429   0.026  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        7.141  -0.860   0.241  0.00  0.00    +0.021 A 
BRANCH   8  13
ATOM     13  C   LIG    1        6.170   2.505   1.734  0.00  0.00    +0.419 C 
ATOM     14  F   LIG    1        6.788   3.396   0.912  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        6.855   2.523   2.908  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        4.950   3.046   2.011  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
BRANCH   7  18
ATOM     17  N   LIG    1        9.623   1.412   1.156  0.00  0.00    -0.191 NA
ATOM     18  C   LIG    1        8.562   0.972   0.995  0.00  0.00    +0.100 C 
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1        0.133  -1.389  -1.549  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.239  -0.864  -1.177  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1       -1.981  -1.466  -0.153  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -3.249  -0.977   0.178  0.00  0.00    +0.051 A 
ATOM     23  C   LIG    1       -3.821   0.105  -0.510  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.177   0.561  -0.117  0.00  0.00    +0.045 A 
ATOM     25  N   LIG    1       -5.797   1.576  -0.844  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -5.508   1.607  -1.817  0.00  0.00    +0.146 HD
ATOM     27  C   LIG    1       -7.215   1.864  -0.662  0.00  0.00    +0.102 C 
ATOM     28  C   LIG    1       -7.562   1.782   0.820  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1       -7.154   0.424   1.399  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1       -5.793  -0.020   0.931  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1       -5.170  -1.153   1.667  0.00  0.00    +0.254 A 
ATOM     32  O   LIG    1       -5.729  -1.700   2.613  0.00  0.00    -0.268 OA
ATOM     33  C   LIG    1       -3.065   0.711  -1.523  0.00  0.00    +0.012 A 
ATOM     34  N   LIG    1       -3.946  -1.575   1.231  0.00  0.00    -0.322 N 
ATOM     35  H   LIG    1       -3.544  -2.346   1.745  0.00  0.00    +0.169 HD
ATOM     36  C   LIG    1       -1.794   0.228  -1.857  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5