REMARK  Name = BDB057312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.544  -1.267  -0.564  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.485  -1.252  -1.593  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.852  -1.236  -1.295  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.296  -1.239   0.034  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        2.347  -1.257   1.061  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.983  -1.273   0.761  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.815  -1.282  -0.715  0.00  0.00    -0.484 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.320  -1.129  -2.033  0.00  0.00    +0.308 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.841  -1.062  -2.029  0.00  0.00    +0.200 C 
ATOM     10  O   LIG    1       -3.506  -1.752  -2.802  0.00  0.00    -0.288 OA
BRANCH   9  13
ATOM     11  C   LIG    1       -5.635   0.622  -0.108  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -4.923  -0.247  -0.940  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -3.539  -0.105  -1.117  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -2.870   0.932  -0.459  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.578   1.801   0.374  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.956   1.647   0.550  0.00  0.00    +0.045 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -7.747   1.214   0.813  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -6.975   0.364  -0.025  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        4.776  -1.210   0.345  0.00  0.00    +0.059 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.342   0.211   0.337  0.00  0.00    +0.146 C 
ATOM     21  C   LIG    1        5.285   0.868   1.705  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        4.318   0.876   2.455  0.00  0.00    -0.274 OA
ATOM     23  N   LIG    1        6.461   1.474   2.028  0.00  0.00    -0.246 N 
ATOM     24  H   LIG    1        6.573   1.912   2.929  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        7.561   1.154   1.311  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        8.708   1.442   1.606  0.00  0.00    -0.263 OA
ATOM     27  S   LIG    1        7.124   0.205  -0.084  0.00  0.00    -0.054 S 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7