REMARK  Name = BDB015358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.846  -2.735   3.118  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.327  -1.790   2.146  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1       -0.670  -0.822   2.550  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.714  -0.878   1.497  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1        3.016  -1.316   1.739  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        4.093  -0.586   1.229  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        3.891   0.591   0.485  0.00  0.00    -0.015 A 
ATOM      8  C   LIG    1        2.568   1.022   0.278  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        1.484   0.300   0.785  0.00  0.00    +0.029 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.029   1.352  -0.062  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        6.125   1.725   0.733  0.00  0.00    +0.131 A 
ATOM     12  F   LIG    1        6.159   1.399   2.035  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        7.200   2.445   0.213  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        7.205   2.811  -1.130  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        6.133   2.454  -1.945  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.057   1.732  -1.417  0.00  0.00    +0.011 A 
ENDBRANCH   7  10
ENDBRANCH   2   4
BRANCH   2  17
ATOM     17  N   LIG    1       -0.194  -2.675   0.799  0.00  0.00    -0.172 N 
ATOM     18  C   LIG    1       -0.670  -2.100  -0.397  0.00  0.00    +0.201 C 
ATOM     19  N   LIG    1       -0.129  -2.574  -1.475  0.00  0.00    -0.253 NA
ATOM     20  C   LIG    1        0.874  -3.575  -1.049  0.00  0.00    +0.166 C 
ATOM     21  C   LIG    1        0.654  -3.826   0.437  0.00  0.00    +0.158 C 
BRANCH  18  22
ATOM     22  N   LIG    1       -1.645  -1.142  -0.352  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1       -2.780  -1.255   0.588  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -4.135  -1.247  -0.151  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.367  -0.052  -0.990  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -3.109   0.579  -1.421  0.00  0.00    +0.103 C 
ATOM     27  C   LIG    1       -1.970  -0.444  -1.612  0.00  0.00    +0.123 C 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.406   0.808  -0.416  0.00  0.00    +0.057 C 
ATOM     29  C   LIG    1       -5.550   2.184  -1.105  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -5.801   2.759   0.311  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1       -4.981   1.567   0.862  0.00  0.00    +0.019 C 
ENDBRANCH  25  28
ENDBRANCH  18  22
ENDBRANCH   2  17
TORSDOF 5