REMARK  Name = BDB051885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.976  -0.382   0.679  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.301  -0.345   1.263  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -1.431  -0.811   0.581  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.314  -1.331  -0.710  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -0.050  -1.366  -1.305  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.077  -0.897  -0.618  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.070   0.113   1.423  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1        1.796   0.395   2.356  0.00  0.00    +0.155 HD
BRANCH   7  14
ATOM      9  C   LIG    1        7.798   0.961   0.807  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1        6.783   1.101   1.764  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        5.512   0.720   1.343  0.00  0.00    +0.087 A 
ATOM     12  C   LIG    1        5.269   0.230   0.069  0.00  0.00    +0.180 A 
ATOM     13  N   LIG    1        3.950  -0.073  -0.102  0.00  0.00    -0.195 NA
ATOM     14  C   LIG    1        3.361   0.215   1.038  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        6.237   0.083  -0.861  0.00  0.00    -0.234 NA
ATOM     16  N   LIG    1        4.281   0.700   1.940  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        4.071   0.989   2.882  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        7.471   0.454  -0.450  0.00  0.00    +0.125 A 
BRANCH   9  20
ATOM     19  F   LIG    1        9.357   2.140   2.183  0.00  0.00    -0.166 F 
ATOM     20  C   LIG    1        9.225   1.309   1.111  0.00  0.00    +0.419 C 
ATOM     21  F   LIG    1        9.850   1.936   0.077  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        9.977   0.211   1.395  0.00  0.00    -0.166 F 
ENDBRANCH   9  20
ENDBRANCH   7  14
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  C   LIG    1       -2.534  -1.819  -1.456  0.00  0.00    +0.054 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.247  -0.706  -2.235  0.00  0.00    +0.107 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.932   0.235  -1.355  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -3.769   1.216  -1.553  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -5.243  -0.044  -0.988  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1       -6.115   0.953  -0.526  0.00  0.00    +0.077 A 
ATOM     29  C   LIG    1       -7.412   0.610  -0.159  0.00  0.00    +0.083 A 
ATOM     30  C   LIG    1       -8.165   1.738   0.283  0.00  0.00    +0.036 A 
ATOM     31  C   LIG    1       -7.436   2.904   0.245  0.00  0.00    +0.048 A 
ATOM     32  N   LIG    1       -7.881  -0.659  -0.224  0.00  0.00    -0.235 NA
ATOM     33  C   LIG    1       -6.984  -1.543  -0.669  0.00  0.00    +0.223 A 
ATOM     34  S   LIG    1       -5.845   2.644  -0.322  0.00  0.00    -0.092 S 
ATOM     35  N   LIG    1       -5.719  -1.307  -1.047  0.00  0.00    -0.220 NA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7