REMARK  Name = BDB033089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.048  -2.457   0.760  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1        1.452  -2.240   0.561  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.822  -1.922  -0.820  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.147  -2.454  -1.908  0.00  0.00    +0.216 C 
ATOM      5  O   LIG    1        1.587  -2.386  -3.057  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.237  -3.031  -1.672  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -0.513  -3.497  -0.253  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.039  -0.995   1.095  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -0.767  -1.201   0.620  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1       -0.342  -0.447   0.081  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -2.663  -1.861   1.700  0.00  0.00    -0.270 OA
BRANCH   8  15
ATOM     12  C   LIG    1       -6.041   1.958   1.525  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.618   1.780   1.085  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -3.970   0.550   1.270  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.648   0.351   0.837  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -1.982   1.411   0.203  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1       -2.624   2.635   0.001  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -3.938   2.815   0.436  0.00  0.00    +0.007 A 
BRANCH  16  19
ATOM     19  O   LIG    1       -0.691   1.266  -0.236  0.00  0.00    -0.506 OA
ATOM     20  H   LIG    1       -0.361   2.119  -0.569  0.00  0.00    +0.292 HD
ENDBRANCH  16  19
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1        3.123  -1.291  -1.035  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.029   0.225  -0.980  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        3.664   1.002   0.017  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        3.519   2.404  -0.015  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        2.780   3.032  -1.018  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        2.174   2.271  -2.009  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        2.295   0.882  -1.988  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1        4.524   0.380   1.095  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1        5.583  -0.307   0.584  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        5.057   1.286   1.962  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        3.842  -0.509   1.870  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6