REMARK  Name = BDB059283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.597  -1.730   0.486  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        0.749  -2.169   1.790  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.059  -2.172   2.414  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.530  -1.272  -0.168  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.387  -0.811  -1.611  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.106  -0.835  -1.068  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -0.781  -1.763  -0.068  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.737  -2.685   0.378  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.032  -2.658  -0.150  0.00  0.00    -0.046 A 
ATOM     10  C   LIG    1       -4.059  -3.659   0.293  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.342  -1.722  -1.146  0.00  0.00    +0.049 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -2.842   0.043  -2.576  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1       -1.788   2.227  -2.467  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1       -1.913   0.913  -3.221  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  N   LIG    1        2.052  -1.735   2.482  0.00  0.00    -0.108 NA
ATOM     16  H   LIG    1        2.825  -1.616   1.809  0.00  0.00    +0.172 HD
BRANCH  15  17
ATOM     17  S   LIG    1        1.887  -0.333   3.460  0.00  0.00    +0.076 S 
ATOM     18  O   LIG    1        0.531  -0.369   3.979  0.00  0.00    -0.152 OA
ATOM     19  O   LIG    1        3.030  -0.240   4.339  0.00  0.00    -0.152 OA
BRANCH  17  20
ATOM     20  C   LIG    1        1.982   0.989   2.302  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        3.093   1.074   1.472  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1        4.064   0.152   1.548  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        3.197   2.100   0.528  0.00  0.00    -0.013 A 
ATOM     24  C   LIG    1        4.392   2.166  -0.374  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1        2.162   3.040   0.433  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        1.046   2.955   1.270  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        0.952   1.927   2.209  0.00  0.00    +0.031 A 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6