REMARK  Name = BDB041465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.217   1.907   0.652  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.355   2.201  -0.709  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.291   1.872  -1.415  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.094   2.119   1.476  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.402   0.624   0.662  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        3.418  -0.067   1.897  0.00  0.00    -0.021 A 
ATOM      7  C   LIG    1        2.259  -0.068   2.696  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.098   0.586   2.281  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        1.062   1.255   1.055  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1        2.213   1.270   0.257  0.00  0.00    +0.019 A 
BRANCH   5  11
ATOM     11  C   LIG    1        4.610   0.635  -0.263  0.00  0.00    +0.195 C 
BRANCH  11  13
ATOM     12  C   LIG    1        5.663   1.754  -2.047  0.00  0.00    +0.194 C 
ATOM     13  O   LIG    1        4.543   1.738  -1.172  0.00  0.00    -0.378 OA
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   6  14
ATOM     14  C   LIG    1        4.635  -0.813   2.407  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        4.857  -2.057   1.683  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        5.883  -2.159   0.811  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.802  -3.418   0.374  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        4.739  -4.125   0.964  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        4.148  -3.220   1.814  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  S   LIG    1       -1.683   2.960  -1.381  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -1.776   4.266  -0.768  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -1.500   2.816  -2.812  0.00  0.00    -0.150 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.040   1.913  -0.933  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.200   2.411  -0.351  0.00  0.00    +0.147 A 
ATOM     25  C   LIG    1       -5.234   1.531  -0.032  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -5.095   0.159  -0.264  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.930  -0.376  -0.844  0.00  0.00    -0.040 A 
ATOM     28  C   LIG    1       -2.911   0.531  -1.184  0.00  0.00    +0.036 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -3.814  -1.890  -1.092  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1       -2.467  -2.320  -1.716  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -3.957  -2.647   0.246  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -4.931  -2.344  -2.056  0.00  0.00    +0.015 C 
ENDBRANCH  27  29
BRANCH  24  33
ATOM     33  O   LIG    1       -4.414   3.748  -0.177  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -4.262   4.112   1.196  0.00  0.00    +0.277 C 
ENDBRANCH  24  33
ENDBRANCH  20  23
ENDBRANCH   2  20
TORSDOF 9