REMARK  Name = BDB058838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.016  -0.641   0.753  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.154  -0.983   1.718  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.331  -0.775   1.522  0.00  0.00    +0.262 C 
ATOM      4  N   LIG    1       -1.489  -0.597   0.438  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -1.755   0.038  -0.319  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -1.913  -1.216   2.592  0.00  0.00    -0.269 OA
BRANCH   3  11
ATOM      7  C   LIG    1       -6.140   1.071  -1.224  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -5.620   0.499   0.060  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -4.268   0.152   0.179  0.00  0.00    +0.138 A 
ATOM     10  F   LIG    1       -3.459   0.371  -0.870  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1       -3.761  -0.402   1.358  0.00  0.00    +0.073 A 
ATOM     12  C   LIG    1       -4.632  -0.618   2.434  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -5.985  -0.289   2.324  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.478   0.263   1.141  0.00  0.00    +0.006 A 
ENDBRANCH   3  11
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  S   LIG    1        0.791   0.880   0.613  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        1.091   1.329   1.954  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        0.013   1.683  -0.309  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.302   0.419  -0.188  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        3.478   0.304   0.558  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        4.681  -0.042  -0.075  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        4.693  -0.265  -1.474  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        5.899  -0.611  -2.103  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        7.078  -0.736  -1.366  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.066  -0.515   0.008  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        3.500  -0.132  -2.205  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        5.876  -0.170   0.650  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.308   0.212  -1.568  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4