REMARK  Name = BDB040084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.513  -1.136   0.988  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.350  -1.103  -0.124  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.546  -1.857  -0.206  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1        1.848  -2.668   0.901  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.012  -2.723   2.014  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.157  -1.962   2.055  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.236   1.982  -0.321  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1       -3.385   1.100   0.336  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -2.106   0.478  -0.117  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1       -1.696  -0.347   1.012  0.00  0.00    -0.263 N 
ATOM     11  C   LIG    1       -2.613  -0.250   2.064  0.00  0.00    +0.251 C 
ATOM     12  O   LIG    1       -2.624  -0.766   3.167  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.675   0.664   1.626  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -4.799   1.073   2.320  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -5.660   1.961   1.679  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.381   2.412   0.375  0.00  0.00    +0.004 A 
BRANCH   7  18
ATOM     17  C   LIG    1       -3.113   3.764  -1.681  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.950   2.494  -1.707  0.00  0.00    +0.032 C 
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   3  19
ATOM     19  C   LIG    1        2.522  -1.759  -1.479  0.00  0.00    +0.080 C 
ATOM     20  C   LIG    1        1.858  -1.785  -2.878  0.00  0.00    +0.177 C 
ATOM     21  O   LIG    1        2.843  -2.729  -3.365  0.00  0.00    -0.378 OA
ATOM     22  C   LIG    1        3.202  -3.055  -1.996  0.00  0.00    +0.177 C 
BRANCH  19  23
ATOM     23  C   LIG    1        3.495  -0.576  -1.366  0.00  0.00    +0.248 C 
ATOM     24  F   LIG    1        2.750   0.573  -1.365  0.00  0.00    -0.236 F 
BRANCH  23  25
ATOM     25  C   LIG    1        4.370  -0.661  -0.160  0.00  0.00    +0.168 A 
ATOM     26  N   LIG    1        4.292   0.138   0.953  0.00  0.00    -0.318 N 
ATOM     27  C   LIG    1        3.394   1.233   1.201  0.00  0.00    +0.151 C 
ATOM     28  C   LIG    1        5.245  -0.317   1.812  0.00  0.00    +0.224 A 
ATOM     29  N   LIG    1        5.880  -1.328   1.269  0.00  0.00    -0.138 NA
ATOM     30  N   LIG    1        5.335  -1.542   0.029  0.00  0.00    -0.132 NA
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   3  19
TORSDOF 5