REMARK  Name = BDB059371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.143  -0.343  -0.301  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.257   0.436  -0.042  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.357   0.957   0.828  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.132  -1.197  -1.183  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.491  -0.059   0.708  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1        2.322  -0.275  -0.043  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        1.057  -0.096   0.538  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        0.957   0.275   1.881  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.119   0.482   2.614  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1        2.023   0.839   3.902  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        3.382   0.325   2.048  0.00  0.00    +0.066 A 
BRANCH   5  15
ATOM     12  C   LIG    1        6.644  -1.022  -2.821  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1        6.166  -0.656  -1.466  0.00  0.00    +0.060 A 
ATOM     14  N   LIG    1        4.856  -0.576  -1.216  0.00  0.00    -0.172 NA
ATOM     15  N   LIG    1        4.762  -0.234   0.092  0.00  0.00    -0.240 N 
ATOM     16  C   LIG    1        6.010  -0.091   0.659  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1        6.933  -0.360  -0.324  0.00  0.00    +0.044 A 
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  N   LIG    1       -2.582  -0.094  -0.618  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -2.400  -0.924  -1.209  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.710  -0.548   0.599  0.00  0.00    +0.076 S 
ATOM     21  O   LIG    1       -3.301   0.148   1.804  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -3.805  -1.988   0.518  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -5.221   0.157   0.048  0.00  0.00    +0.142 A 
ATOM     24  C   LIG    1       -6.390  -0.257   0.673  0.00  0.00    +0.150 A 
ATOM     25  F   LIG    1       -6.362  -1.143   1.678  0.00  0.00    -0.203 F 
ATOM     26  C   LIG    1       -7.620   0.256   0.274  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -7.679   1.192  -0.760  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.505   1.613  -1.388  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -5.269   1.097  -0.986  0.00  0.00    +0.031 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5