REMARK  Name = BDB043932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.917   1.012  -1.514  0.00  0.00    +0.025 C 
ATOM      2  C   LIG    1       -2.039   0.665  -0.868  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.313  -0.312   0.191  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1       -3.687  -0.207   0.457  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -4.324  -0.978   1.407  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -3.535  -1.883   2.108  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -2.160  -2.008   1.865  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -4.103  -2.657   3.043  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1       -4.274   0.758  -0.358  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -5.247   1.021  -0.361  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -1.535  -1.215   0.895  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -3.342   1.343  -1.200  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -3.542   2.209  -2.030  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        2.927  -0.742  -0.889  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1        2.558   0.387  -0.150  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1        1.304   0.984  -0.341  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        0.412   0.435  -1.283  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        0.786  -0.693  -2.022  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.036  -1.276  -1.822  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.085  -0.894   0.106  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        4.114  -1.414  -0.794  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
BRANCH  16  22
ATOM     22  O   LIG    1        0.853   2.087   0.340  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        1.735   2.698   1.271  0.00  0.00    +0.277 C 
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 3