REMARK  Name = BDB041524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.330  -0.319  -2.031  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.499  -0.615  -1.069  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.458  -0.141  -2.845  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.430   0.067  -4.046  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.736  -0.230  -2.072  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -2.615  -0.557  -0.753  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1       -3.761  -0.641  -0.044  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1       -5.027  -0.425  -0.584  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -5.107  -0.084  -1.942  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.947   0.013  -2.703  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -3.692  -0.962   1.297  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1       -2.365  -1.185   1.766  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -6.273  -0.507   0.255  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.658   0.805   0.753  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -7.507   1.574   0.039  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.641   2.673   0.786  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.895   2.607   1.977  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.273   1.382   1.931  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.218  -0.458  -2.597  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        1.356  -1.718  -3.295  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.589   0.802  -3.206  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        1.796  -1.502  -0.105  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        2.172  -0.612  -1.104  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        3.324   0.181  -0.950  0.00  0.00    +0.036 A 
ATOM     25  C   LIG    1        4.135   0.122   0.206  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        3.698  -0.784   1.200  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.552  -1.576   1.060  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.476   1.020   0.419  0.00  0.00    -0.007 C 
ATOM     29  C   LIG    1        6.759   0.252   0.888  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        7.053   1.406   1.864  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        5.572   1.813   1.768  0.00  0.00    +0.011 C 
ATOM     32  C   LIG    1        5.770   1.924  -0.790  0.00  0.00    +0.016 C 
ENDBRANCH  25  28
BRANCH  22  34
ATOM     33  C   LIG    1        0.944  -3.613  -0.448  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        0.645  -2.235  -0.204  0.00  0.00    -0.493 OA
ENDBRANCH  22  34
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8