REMARK  Name = BDB059385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.665  -0.480   2.524  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.028  -1.026   1.629  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.597  -1.923   0.742  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.113  -2.204  -0.107  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.413  -0.744   1.444  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.959  -0.554   0.164  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.326  -0.277   0.004  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -4.125  -0.188   1.153  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -3.567  -0.355   2.417  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1       -4.348  -0.252   3.500  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -2.216  -0.625   2.577  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -3.891  -0.075  -1.328  0.00  0.00    +0.135 A 
ATOM     13  O   LIG    1       -5.254   0.011  -1.400  0.00  0.00    -0.463 OA
ATOM     14  C   LIG    1       -5.582   0.191  -2.704  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1       -4.452   0.224  -3.483  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -3.359   0.051  -2.598  0.00  0.00    +0.050 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.121  -1.841   0.620  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.544  -1.536   1.509  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.664  -0.865  -0.689  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.514  -0.149  -1.211  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.473  -1.703  -1.548  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.720   0.292   0.137  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        3.150   1.348   0.855  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        3.979   2.262   1.504  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.366   2.125   1.426  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.930   1.075   0.699  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.109   0.155   0.049  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5