REMARK  Name = BDB059312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.021  -1.243   0.499  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.061  -1.142  -0.727  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.885  -1.756  -1.532  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.025  -1.428  -2.489  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.121  -0.341  -1.392  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.151  -0.130  -2.769  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1        0.208  -0.647  -3.570  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        2.160   0.631  -3.353  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        3.158   1.193  -2.554  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.159   1.002  -1.164  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        2.129   0.231  -0.597  0.00  0.00    +0.027 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.207   1.595  -0.334  0.00  0.00    +0.135 A 
ATOM     13  O   LIG    1        4.142   1.328   1.006  0.00  0.00    -0.463 OA
ATOM     14  C   LIG    1        5.188   1.957   1.599  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1        5.934   2.631   0.664  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        5.303   2.399  -0.583  0.00  0.00    +0.050 A 
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1       -2.156  -2.217  -0.808  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1       -1.940  -2.490   0.162  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -3.443  -1.077  -0.845  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1       -4.543  -1.687  -1.561  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1       -2.901   0.203  -1.255  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.876  -0.973   0.872  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1       -5.017  -1.626   1.344  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -5.349  -1.532   2.696  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.547  -0.787   3.563  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.413  -0.130   3.083  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.075  -0.217   1.733  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5