REMARK  Name = BDB059309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.054  -0.723  -0.438  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.029   0.133  -0.540  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.956   1.097  -0.204  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.087  -1.944  -0.477  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.081   3.269   0.135  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.887   1.789  -0.007  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -1.604   1.258  -0.162  0.00  0.00    +0.138 A 
ATOM      8  F   LIG    1       -0.561   2.103  -0.203  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -1.401  -0.119  -0.265  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -2.510  -0.980  -0.199  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -3.810  -0.478  -0.031  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1       -3.979   0.913   0.068  0.00  0.00    +0.017 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.952  -1.389   0.042  0.00  0.00    +0.135 A 
ATOM     14  O   LIG    1       -6.184  -0.808   0.169  0.00  0.00    -0.463 OA
ATOM     15  C   LIG    1       -7.103  -1.806   0.219  0.00  0.00    +0.196 A 
ATOM     16  C   LIG    1       -6.486  -3.030   0.127  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -5.100  -2.763   0.012  0.00  0.00    +0.050 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        2.409  -0.519  -0.348  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.309  -1.547  -0.357  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.178  -0.076   1.118  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.129  -1.231   1.987  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.641   1.209   1.520  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.846   0.161   0.572  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.196   1.360  -0.057  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.513   1.558  -0.471  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.472   0.567  -0.250  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.119  -0.624   0.388  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.804  -0.830   0.805  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5