REMARK  Name = BDB059326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.117   1.194  -0.164  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.333   0.540  -0.110  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -2.052   0.973  -0.685  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.015   2.252  -0.780  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.480   0.225   0.483  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1        2.321   0.751  -0.110  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        1.069   0.601   0.504  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        0.974  -0.044   1.740  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.118  -0.571   2.337  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.360  -0.442   1.712  0.00  0.00    +0.004 A 
BRANCH   5  12
ATOM     11  C   LIG    1        4.894  -0.325  -1.531  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1        4.845   0.369  -0.168  0.00  0.00    +0.013 C 
ATOM     13  C   LIG    1        5.257   1.838  -0.288  0.00  0.00    +0.012 C 
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  N   LIG    1       -1.401  -0.951   0.050  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1       -1.133  -1.542  -0.743  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.638  -1.634   0.993  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1       -2.484  -1.127   2.341  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -2.663  -3.053   0.717  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -4.099  -0.927   0.314  0.00  0.00    +0.142 A 
ATOM     20  C   LIG    1       -4.359  -1.097  -1.039  0.00  0.00    +0.150 A 
ATOM     21  F   LIG    1       -3.502  -1.759  -1.829  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -5.506  -0.550  -1.607  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1       -6.396   0.171  -0.809  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -6.135   0.344   0.552  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.984  -0.205   1.121  0.00  0.00    +0.031 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5