REMARK  Name = BDB059236
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.057  -2.065   0.097  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.180  -0.977  -0.421  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.829  -0.129  -0.847  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.657   0.878  -0.852  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.575  -0.490  -0.586  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -2.578  -1.048   0.226  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.917  -0.634   0.118  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -4.231   0.347  -0.830  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -3.235   0.885  -1.640  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1       -3.561   1.814  -2.549  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.912   0.479  -1.533  0.00  0.00    +0.051 A 
BRANCH   7  12
ATOM     12  C   LIG    1       -4.959  -1.206   0.967  0.00  0.00    +0.135 A 
ATOM     13  O   LIG    1       -4.552  -2.136   1.883  0.00  0.00    -0.463 OA
ATOM     14  C   LIG    1       -5.650  -2.543   2.568  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1       -6.769  -1.891   2.112  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -6.326  -1.027   1.079  0.00  0.00    +0.050 A 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.242  -0.505  -0.356  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.234  -1.443   0.077  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.894   0.609   0.769  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.130  -0.135   1.988  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.062   1.796   0.754  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.445   0.998   0.044  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        4.469   1.664  -1.174  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        3.336   1.994  -1.809  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        5.685   1.996  -1.765  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.881   1.660  -1.129  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        6.858   0.993   0.098  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.638   0.660   0.691  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5