REMARK  Name = BDB015441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.197  -0.903   1.212  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        1.093  -0.541   2.227  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.468  -1.744   2.978  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.414  -2.728   2.474  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.195  -2.138   1.255  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.706   0.695  -1.218  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.021  -0.619  -1.253  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -0.495  -0.505  -1.077  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.150   0.023   0.265  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.087   1.089   0.717  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -1.923   1.680  -0.439  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -4.969  -0.273  -1.620  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.084   0.583  -0.719  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        2.185   0.733   2.243  0.00  0.00    +0.082 S 
ATOM     15  O   LIG    1        1.439   1.950   2.492  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        3.282   0.395   3.131  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.848   0.774   0.621  0.00  0.00    +0.179 A 
ATOM     18  C   LIG    1        2.628   1.855  -0.222  0.00  0.00    +0.153 A 
ATOM     19  F   LIG    1        1.886   2.907   0.146  0.00  0.00    -0.203 F 
ATOM     20  C   LIG    1        3.173   1.873  -1.508  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        3.949   0.804  -1.953  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        4.176  -0.279  -1.106  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        3.626  -0.286   0.176  0.00  0.00    +0.153 A 
ATOM     24  F   LIG    1        3.861  -1.353   0.951  0.00  0.00    -0.203 F 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4