REMARK  Name = BDB059292
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.851   1.570  -3.101  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.321   1.378  -2.009  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.058   1.091  -0.875  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.632   0.726  -0.025  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.155   1.467  -1.852  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.854   0.723  -0.890  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -3.251   0.832  -0.768  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.929   1.700  -1.642  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.240   2.428  -2.614  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.857   2.308  -2.722  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.985   0.053   0.243  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -3.848  -1.343   0.321  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.541  -2.083   1.284  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.384  -1.437   2.185  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.534  -0.054   2.124  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.841   0.684   1.161  0.00  0.00    +0.008 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.503   0.631  -1.115  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.756   0.770  -2.108  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.765  -1.017  -0.722  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        2.850  -1.770  -1.951  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        1.786  -1.346   0.299  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.352  -0.979   0.029  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        5.425  -0.485  -0.700  0.00  0.00    +0.150 A 
ATOM     24  F   LIG    1        5.261  -0.024  -1.948  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        6.697  -0.449  -0.136  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        6.891  -0.912   1.166  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.812  -1.410   1.900  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.536  -1.446   1.333  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5