REMARK  Name = BDB055405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.257  -0.346   1.270  0.00  0.00    +0.192 C 
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        1.676  -0.648   2.294  0.00  0.00    +0.015 S 
ATOM      3  O   LIG    1        1.442  -0.047   3.595  0.00  0.00    -0.168 OA
ATOM      4  O   LIG    1        2.022  -2.055   2.183  0.00  0.00    -0.168 OA
BRANCH   2   5
ATOM      5  C   LIG    1        2.995   0.269   1.526  0.00  0.00    +0.176 A 
ATOM      6  N   LIG    1        2.595   1.332   0.782  0.00  0.00    -0.236 NA
ATOM      7  C   LIG    1        3.580   2.031   0.173  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        4.931   1.717   0.268  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        5.292   0.597   1.032  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        4.308  -0.147   1.677  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1        5.942   2.545  -0.466  0.00  0.00    +0.419 C 
ATOM     12  F   LIG    1        7.201   2.431   0.041  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        6.033   2.204  -1.779  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        5.651   3.875  -0.444  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.923  -1.160   1.771  0.00  0.00    +0.127 C 
BRANCH  15  18
ATOM     16  O   LIG    1       -1.505  -1.877  -0.885  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -2.362  -1.280  -0.241  0.00  0.00    +0.247 C 
ATOM     18  N   LIG    1       -2.152  -0.859   1.053  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.899  -0.391   1.556  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -3.683  -0.981  -0.863  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -4.702  -0.293  -0.199  0.00  0.00    +0.137 A 
ATOM     22  F   LIG    1       -4.537   0.141   1.061  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -5.924  -0.034  -0.819  0.00  0.00    +0.054 A 
ATOM     24  C   LIG    1       -6.133  -0.469  -2.125  0.00  0.00    +0.021 A 
ATOM     25 BR   LIG    1       -7.785  -0.122  -2.975  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1       -5.133  -1.157  -2.809  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -3.911  -1.413  -2.179  0.00  0.00    +0.017 A 
ENDBRANCH  17  20
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6