REMARK  Name = BDB059315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.415  -0.374   0.828  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.540   0.255   0.325  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        1.536   0.633  -0.626  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.486  -1.146   1.782  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.298  -0.452   0.124  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.044  -0.679   0.701  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -0.887  -0.096   0.166  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.004   0.719  -0.960  0.00  0.00    +0.139 A 
ATOM      9  F   LIG    1        0.083   1.297  -1.497  0.00  0.00    -0.204 F 
ATOM     10  C   LIG    1       -2.247   0.953  -1.558  0.00  0.00    -0.011 A 
ATOM     11  C   LIG    1       -2.349   1.857  -2.751  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1       -3.396   0.371  -1.000  0.00  0.00    +0.051 A 
BRANCH   5  13
ATOM     13  O   LIG    1       -4.330  -1.077   0.762  0.00  0.00    -0.492 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -5.641  -1.014   0.200  0.00  0.00    +0.229 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.551   0.251   2.199  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -6.407   0.217   0.684  0.00  0.00    +0.038 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        2.887  -0.330   0.785  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.724  -1.007   1.548  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.748  -1.130  -0.461  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        3.311  -0.569  -1.724  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        3.671  -2.548  -0.188  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        5.401  -0.575  -0.145  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        5.796   0.689  -0.596  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        7.102   1.121  -0.366  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        8.005   0.292   0.301  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.609  -0.974   0.739  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        6.304  -1.414   0.514  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 7