REMARK  Name = BDB015685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.684  -0.346   0.655  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.756   0.992   0.712  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.693   1.681   0.251  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.405   1.054  -0.297  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.370  -0.317  -0.283  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.657  -1.048   0.150  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.801   3.159   0.326  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.271   3.901   0.664  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.217   5.285   0.753  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.427   6.004   1.118  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.951   6.004   0.507  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        1.053   7.226   0.551  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.147   5.190   0.170  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.058   3.856   0.094  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -1.384  -1.131  -0.848  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -1.054  -2.096  -0.771  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.905  -1.035  -0.116  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -2.983  -2.164   0.784  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.154   0.317   0.339  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.980  -1.363  -1.526  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1       -3.811  -0.312  -2.619  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -5.434  -1.432  -1.066  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1        2.809  -1.009   1.128  0.00  0.00    -0.417 OA
BRANCH  23  25
ATOM     24  C   LIG    1        3.271  -3.268   0.459  0.00  0.00    +0.165 A 
ATOM     25  C   LIG    1        2.661  -2.360   1.335  0.00  0.00    +0.208 A 
ATOM     26  C   LIG    1        1.958  -2.818   2.451  0.00  0.00    +0.169 A 
ATOM     27  F   LIG    1        1.405  -1.947   3.307  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        1.824  -4.179   2.693  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        2.410  -5.091   1.818  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1        3.133  -4.638   0.707  0.00  0.00    +0.049 A 
BRANCH  24  32
ATOM     31  C   LIG    1        4.638  -3.614  -1.463  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        3.956  -2.721  -0.594  0.00  0.00    -0.491 OA
ENDBRANCH  24  32
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 7