REMARK  Name = BDB029775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.177   0.870  -1.186  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.125   0.228  -1.814  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.118  -0.792  -1.907  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.064   2.013  -0.744  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.770   0.153  -0.253  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        3.541   0.799  -0.442  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        2.458   0.132  -1.038  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        2.622  -1.188  -1.456  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1        1.600  -1.851  -2.024  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1        3.846  -1.833  -1.285  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1        4.052  -3.463  -1.803  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1        4.918  -1.168  -0.688  0.00  0.00    +0.033 A 
BRANCH   5  17
ATOM     13  C   LIG    1        7.524   2.832   2.980  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1        7.143   2.035   1.786  0.00  0.00    +0.107 A 
ATOM     15  N   LIG    1        5.896   1.481   1.592  0.00  0.00    -0.331 N 
ATOM     16  C   LIG    1        4.803   1.530   2.537  0.00  0.00    +0.150 C 
ATOM     17  C   LIG    1        5.894   0.849   0.363  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        7.185   1.024  -0.100  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        7.939   1.754   0.775  0.00  0.00    -0.240 NA
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  N   LIG    1       -1.259   0.858  -1.592  0.00  0.00    -0.112 NA
ATOM     21  H   LIG    1       -1.149   1.801  -1.182  0.00  0.00    +0.171 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.266  -0.074  -0.562  0.00  0.00    +0.045 S 
ATOM     23  O   LIG    1       -1.903  -1.459  -0.782  0.00  0.00    -0.157 OA
ATOM     24  O   LIG    1       -2.189   0.539   0.744  0.00  0.00    -0.157 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.864   0.270  -1.294  0.00  0.00    +0.190 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.039  -0.259  -0.460  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -6.346   0.413  -0.929  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -7.612  -0.381  -0.598  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -7.422  -1.279   0.614  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -6.303  -2.295   0.390  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -5.180  -1.785  -0.520  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 6