REMARK  Name = BDB002103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.479  -0.980  -0.715  0.00  0.00    +0.170 C 
ATOM      2  N   LIG    1       -0.038  -0.799  -0.367  0.00  0.00    -0.158 NA
ATOM      3  C   LIG    1        0.705  -2.051  -0.661  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -0.133  -3.204  -0.141  0.00  0.00    +0.088 C 
ATOM      5  S   LIG    1       -1.798  -2.795  -0.682  0.00  0.00    -0.134 S 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.567   0.389  -0.212  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -2.419  -0.283   0.253  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.162  -0.311   1.640  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.018   0.319   2.541  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.146   0.982   2.072  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.421   1.016   0.703  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -4.815   1.178  -2.087  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.770   0.366  -1.568  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  S   LIG    1        0.618   0.621  -1.028  0.00  0.00    +0.062 S 
ATOM     15  O   LIG    1       -0.196   1.753  -0.651  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        0.938   0.352  -2.414  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.147   0.770  -0.130  0.00  0.00    +0.106 A 
ATOM     18  C   LIG    1        3.371   0.597  -0.784  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        4.571   0.721  -0.065  0.00  0.00    +0.057 A 
ATOM     20  C   LIG    1        4.513   1.012   1.309  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.285   1.194   1.952  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.098   1.076   1.233  0.00  0.00    +0.028 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.896   0.512  -0.757  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        6.167  -0.808  -0.953  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        6.955   1.012  -0.063  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        5.948   1.092  -1.988  0.00  0.00    -0.166 F 
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5