REMARK  Name = BDB041511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.182   1.068  -0.185  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.113   1.119  -1.558  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1        0.495   0.740  -2.273  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.580   1.490   0.671  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.266   0.345   1.697  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        3.942  -0.613   0.930  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        3.302  -1.071  -0.235  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.073  -0.547  -0.627  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.495   0.429   0.169  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        2.072   0.867   1.316  0.00  0.00    -0.247 NA
BRANCH   5  12
ATOM     11  C   LIG    1        4.716   2.084   2.784  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1        3.793   0.894   2.999  0.00  0.00    +0.052 C 
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.270  -1.210   1.337  0.00  0.00    +0.180 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.244  -1.188   0.248  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.503  -2.315  -0.450  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.437  -1.936  -1.325  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.778  -0.578  -1.193  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.991  -0.119  -0.163  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.568   1.622  -2.183  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.525   1.312  -3.599  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.819   2.978  -1.744  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.746   0.533  -1.435  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.649  -0.857  -1.634  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.572  -1.717  -1.030  0.00  0.00    +0.093 A 
ATOM     25  C   LIG    1       -4.574  -1.155  -0.263  0.00  0.00    +0.128 A 
ATOM     26  O   LIG    1       -5.544  -1.881   0.378  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.125  -0.925   1.300  0.00  0.00    +0.240 C 
ATOM     28  C   LIG    1       -5.899   0.499   0.750  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -5.662   1.505   1.875  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -7.067   0.946  -0.137  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -4.691   0.216  -0.082  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.780   1.083  -0.662  0.00  0.00    +0.040 A 
BRANCH  23  33
ATOM     33  O   LIG    1       -1.599  -1.375  -2.349  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -2.054  -2.070  -3.513  0.00  0.00    +0.277 C 
ENDBRANCH  23  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7