REMARK  Name = BDB015425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644  -0.795   1.358  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.213  -0.471   2.421  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        0.840  -1.710   2.904  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -0.004  -2.761   2.190  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.784  -2.064   1.139  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.912   0.780  -0.676  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1       -3.303   1.629   0.379  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.382   0.874   1.357  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.247   0.212   0.659  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.528  -0.041  -0.774  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -3.018  -0.351  -1.012  0.00  0.00    +0.103 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.267   0.347  -0.302  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -5.893  -1.766  -1.641  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -6.092  -0.270  -1.443  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  S   LIG    1        1.124   0.933   2.605  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1        0.306   2.114   2.421  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.911   0.788   3.816  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.261   0.857   1.234  0.00  0.00    +0.109 A 
ATOM     19  C   LIG    1        1.897   1.414   0.007  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        2.793   1.379  -1.062  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.066   0.805  -0.913  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1        4.426   0.276   0.337  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.533   0.308   1.411  0.00  0.00    +0.029 A 
BRANCH  21  24
ATOM     24  C   LIG    1        5.024   0.782  -2.092  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        6.278   1.613  -1.813  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        5.394  -0.649  -2.490  0.00  0.00    +0.012 C 
ENDBRANCH  21  24
ENDBRANCH  15  18
ENDBRANCH   2  15
TORSDOF 6