REMARK  Name = BDB013203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.669   0.179   0.353  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.393   1.207  -0.258  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.751   1.155  -0.452  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        3.140   2.248  -1.076  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.032   3.046  -1.261  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.437   0.005   0.031  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.664  -0.936   0.621  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        0.999   2.420  -0.743  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.296  -0.873   0.805  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.895  -0.217  -0.106  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.563   0.115  -1.279  0.00  0.00    +0.143 A 
ATOM     12  N   LIG    1        6.889  -0.080  -1.458  0.00  0.00    -0.157 NA
ATOM     13  N   LIG    1        7.629  -0.604  -0.448  0.00  0.00    -0.158 NA
ATOM     14  C   LIG    1        7.028  -0.911   0.717  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1        5.673  -0.735   0.930  0.00  0.00    +0.031 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.695   0.274   0.507  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -0.980  -0.429   1.188  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.553   0.140  -0.667  0.00  0.00    +0.143 C 
BRANCH  18  21
ATOM     19  F   LIG    1       -2.737   2.687  -0.903  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.502   1.707  -0.401  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -2.974   0.414  -0.279  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.813  -0.561   0.254  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.549  -1.983   0.583  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -4.983  -2.454   0.828  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -5.801  -1.311   1.167  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.111  -0.249   0.643  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.631   1.024   0.529  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.811   2.015  -0.007  0.00  0.00    +0.042 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4