REMARK  Name = BDB059370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.338   0.729  -0.219  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.501  -0.020  -0.215  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.601  -0.855   0.360  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.288   1.864  -0.684  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.288  -0.193   0.320  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        2.116   0.383  -0.201  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        0.867   0.089   0.364  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        0.785  -0.759   1.471  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        1.951  -1.319   1.980  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        1.875  -2.134   3.041  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.198  -1.053   1.420  0.00  0.00    +0.066 A 
BRANCH   5  15
ATOM     12  C   LIG    1        8.179   0.046  -0.799  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        6.710   0.216  -0.778  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        5.795  -0.337   0.094  0.00  0.00    +0.117 A 
ATOM     15  N   LIG    1        4.544   0.108  -0.278  0.00  0.00    -0.240 N 
ATOM     16  N   LIG    1        4.618   0.918  -1.363  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1        5.917   0.980  -1.654  0.00  0.00    +0.138 A 
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  N   LIG    1       -2.797   0.770  -0.420  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -2.593   1.723  -0.763  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.755   0.893   0.995  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1       -3.889   2.306   1.275  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -3.223  -0.028   1.980  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -5.306   0.287   0.439  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -5.406  -1.043   0.050  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1       -4.341  -1.856   0.072  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -6.626  -1.555  -0.384  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -7.751  -0.729  -0.423  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -7.652   0.607  -0.027  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -6.428   1.121   0.407  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5