REMARK  Name = BDB047918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.798   1.830  -1.486  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1       -1.565   1.168  -1.313  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -0.359   1.820  -1.577  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1       -0.398   3.144  -2.025  0.00  0.00    +0.165 A 
ATOM      5  F   LIG    1        0.742   3.795  -2.301  0.00  0.00    -0.202 F 
ATOM      6  C   LIG    1       -1.605   3.814  -2.202  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -2.806   3.160  -1.931  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -4.094   1.104  -1.201  0.00  0.00    +0.147 C 
BRANCH   8  10
ATOM      9  C   LIG    1       -4.039  -0.440   0.698  0.00  0.00    +0.403 C 
ATOM     10  N   LIG    1       -4.267   0.835   0.219  0.00  0.00    -0.252 N 
ATOM     11  O   LIG    1       -3.575  -1.353   0.024  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1       -4.141  -1.870   2.553  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1       -4.381  -0.570   2.010  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1       -4.825   1.894   1.063  0.00  0.00    +0.231 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.348   1.915   1.114  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1       -7.018   2.679   1.793  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -6.959   1.024   0.308  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -7.914   1.156   0.485  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  O   LIG    1        0.889   1.276  -1.445  0.00  0.00    -0.483 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.980  -0.043  -0.899  0.00  0.00    +0.288 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.401  -0.477  -0.777  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        3.456  -0.271  -1.643  0.00  0.00    +0.129 A 
ATOM     23  C   LIG    1        3.618   0.425  -2.931  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        4.564  -0.861  -1.105  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        4.125  -1.403   0.075  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        2.839  -1.213   0.307  0.00  0.00    -0.210 NA
BRANCH  25  27
ATOM     27  C   LIG    1        5.116  -2.102   0.890  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        6.463  -2.197   0.503  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        7.392  -2.871   1.302  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        6.982  -3.457   2.497  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        8.124  -4.288   3.479  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        5.652  -3.371   2.903  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        4.725  -2.697   2.101  0.00  0.00    +0.014 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 10