REMARK  Name = BDB038474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.406  -1.513   0.024  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.347  -0.675  -0.378  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.913  -0.716   0.238  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        1.103  -1.647   1.270  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.069  -2.490   1.681  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.177  -2.422   1.064  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.967   0.152  -0.159  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        1.883   1.194  -1.089  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        0.940   1.620  -1.729  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.223   1.786  -1.191  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.648   2.833  -1.986  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        4.988   3.209  -1.895  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.862   2.537  -1.020  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.414   1.473  -0.214  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.073   1.112  -0.321  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.312   0.043   0.394  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.339   0.747   0.726  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        5.901   0.797   2.015  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.608   1.234   0.738  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.442  -0.576   0.423  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.906  -1.066   0.035  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -2.720  -1.436  -0.641  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1       -2.808  -1.770  -2.008  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.032  -1.757  -2.683  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -5.201  -1.417  -2.002  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1       -5.136  -1.077  -0.649  0.00  0.00    +0.031 A 
BRANCH  21  29
ATOM     27  C   LIG    1       -2.622   1.491   1.340  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1       -3.338   0.432   1.997  0.00  0.00    -0.317 N 
ATOM     29  C   LIG    1       -3.925  -0.681   1.445  0.00  0.00    +0.164 A 
ATOM     30  N   LIG    1       -4.554  -1.332   2.407  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1       -4.344  -0.670   3.594  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -3.612   0.386   3.331  0.00  0.00    +0.225 A 
ENDBRANCH  21  29
BRANCH  25  33
ATOM     33  C   LIG    1       -6.459  -1.413  -2.689  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1       -7.473  -1.403  -3.253  0.00  0.00    -0.191 NA
ENDBRANCH  25  33
ENDBRANCH   1  22
TORSDOF 5