REMARK  Name = BDB059263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.622  -0.826   0.549  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.788  -0.895  -0.198  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.750  -0.632  -1.185  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.638  -0.599   1.756  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.067  -0.592  -0.307  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -1.831  -0.473   0.360  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -0.655  -0.997  -0.196  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.713  -1.679  -1.416  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.934  -1.818  -2.074  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.104  -1.279  -1.525  0.00  0.00    +0.028 A 
BRANCH   5  14
ATOM     11  C   LIG    1       -5.632   1.284   3.313  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.368   0.789   1.941  0.00  0.00    +0.061 A 
ATOM     13  N   LIG    1       -4.143   0.398   1.595  0.00  0.00    -0.171 NA
ATOM     14  N   LIG    1       -4.234  -0.026   0.304  0.00  0.00    -0.237 N 
ATOM     15  C   LIG    1       -5.520   0.192  -0.190  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -5.986  -0.005  -1.584  0.00  0.00    +0.066 C 
ATOM     17  C   LIG    1       -6.263   0.678   0.869  0.00  0.00    +0.047 A 
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  N   LIG    1        3.052  -0.370   0.526  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.807  -0.098   1.494  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.758   0.994  -0.246  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1        3.549   2.102   0.657  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.261   0.983  -1.609  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        5.470   0.607  -0.287  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1        6.351   1.627  -0.621  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1        5.908   2.854  -0.926  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1        7.722   1.387  -0.659  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        8.212   0.115  -0.361  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        7.327  -0.913  -0.029  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.952  -0.672   0.009  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5