REMARK  Name = BDB037173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.645  -0.916   1.715  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.387  -1.056   0.740  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.396  -0.629   2.609  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.275  -0.499   3.815  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.709  -0.481   1.908  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.680  -0.641   0.553  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.856  -0.495  -0.097  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.067  -0.217   0.538  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        4.051  -0.063   1.933  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.856  -0.197   2.632  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        2.884  -0.691  -1.461  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.598  -0.677  -2.069  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.342  -0.038  -0.240  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.632   1.372  -0.461  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.017   2.048  -1.454  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.526   3.279  -1.364  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.470   3.394  -0.328  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.524   2.142   0.236  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.223  -1.175   2.148  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.262  -2.468   2.793  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.758   0.003   2.796  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -3.725  -2.408   0.162  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.006  -1.264   0.537  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -2.888  -0.187  -0.378  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1       -2.154   1.113  -0.119  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -2.953   2.320  -0.619  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -3.544   2.155  -2.023  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -3.257   0.801  -2.666  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -3.446  -0.320  -1.673  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -4.114  -1.488  -2.043  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -4.255  -2.523  -1.127  0.00  0.00    +0.048 A 
BRANCH  22  33
ATOM     32  C   LIG    1       -5.099  -3.391   1.722  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -3.887  -3.498   0.971  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7