REMARK  Name = BDB059231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.636  -1.698   1.666  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.894  -1.534   0.697  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -1.396  -1.533  -0.592  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.910  -1.069  -1.361  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.566  -1.291   0.887  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.465  -1.127  -0.176  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        2.828  -0.877   0.076  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        3.290  -0.814   1.397  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        2.400  -0.999   2.456  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        1.047  -1.230   2.203  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1        3.713  -0.685  -1.024  0.00  0.00    -0.240 N 
ATOM     12  N   LIG    1        3.260  -0.759  -2.303  0.00  0.00    -0.175 NA
ATOM     13  C   LIG    1        4.330  -0.507  -3.058  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1        5.486  -0.290  -2.296  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        5.067  -0.419  -0.994  0.00  0.00    +0.114 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1       -2.923  -1.502  -0.698  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1       -3.369  -1.776   0.190  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -3.582  -0.037  -1.285  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1       -2.730   0.441  -2.353  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1       -4.996  -0.258  -1.494  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.420   1.045   0.100  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1       -2.213   1.695   0.329  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1       -1.137   1.466  -0.436  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -2.090   2.594   1.387  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -3.182   2.844   2.219  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -4.397   2.196   1.988  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.522   1.300   0.923  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5