REMARK  Name = BDB032155
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.485   0.040   1.504  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.868  -0.137   0.273  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.090   0.438  -0.774  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.877  -1.205   0.445  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.999  -1.693   1.741  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.183  -2.716   2.161  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -0.243  -3.250   1.278  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -0.127  -2.755  -0.041  0.00  0.00    -0.007 A 
ATOM      9  F   LIG    1       -1.284  -3.198   3.405  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.959  -1.706  -0.462  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.077  -0.976   2.467  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -8.126   2.901   0.707  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -7.074   2.313   0.939  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.979   0.952   0.795  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.808   0.483   0.457  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.929   0.135   1.148  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -6.051  -1.089   1.103  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.686   0.842   1.711  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -4.581   2.263   1.158  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.856   3.025   1.481  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  C   LIG    1        0.904  -3.334  -0.978  0.00  0.00    +0.269 C 
BRANCH  21  22
ATOM     22  O   LIG    1        2.217  -2.968  -0.534  0.00  0.00    -0.445 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.731  -1.841  -1.096  0.00  0.00    +0.405 C 
ATOM     24  N   LIG    1        3.968  -1.633  -0.554  0.00  0.00    -0.251 N 
ATOM     25  H   LIG    1        4.234  -2.336   0.120  0.00  0.00    +0.158 HD
ATOM     26  O   LIG    1        2.156  -1.170  -1.937  0.00  0.00    -0.226 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.873  -0.590  -0.815  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        4.621   0.460  -1.701  0.00  0.00    +0.069 A 
ATOM     29  C   LIG    1        5.576   1.463  -1.918  0.00  0.00    +0.129 A 
ATOM     30  C   LIG    1        6.785   1.427  -1.223  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        7.044   0.383  -0.334  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        6.095  -0.621  -0.133  0.00  0.00    +0.023 A 
BRANCH  29  33
ATOM     33  O   LIG    1        5.197   2.434  -2.804  0.00  0.00    -0.434 OA
BRANCH  33  34
ATOM     34  C   LIG    1        6.241   3.201  -3.378  0.00  0.00    +0.541 C 
ATOM     35  F   LIG    1        6.692   4.097  -2.464  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        5.705   3.924  -4.394  0.00  0.00    -0.166 F 
ENDBRANCH  33  34
ENDBRANCH  29  33
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   8  21
TORSDOF 7