REMARK  Name = BDB041493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.394  -0.205  -0.864  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.405   0.657  -0.325  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.786  -0.602  -1.523  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.802  -1.362  -2.478  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.055  -0.025  -0.957  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        3.108   0.022  -1.812  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        4.267   0.537  -1.356  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.434   1.047  -0.072  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.335   0.983   0.794  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.130   0.441   0.352  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        5.357   0.579  -2.202  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        5.115  -0.038  -3.465  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.749   1.601   0.399  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.483   0.615   1.178  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.354   0.585   2.523  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.160  -0.414   2.894  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.809  -1.015   1.800  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        7.355  -0.325   0.702  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.914  -0.675  -1.391  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.014  -2.095  -1.131  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.144  -0.090  -2.694  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.723   1.467   0.177  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.004   0.175  -0.286  0.00  0.00    +0.192 A 
ATOM     24  C   LIG    1       -4.177  -0.424   0.141  0.00  0.00    +0.155 A 
ATOM     25  O   LIG    1       -4.649  -1.646  -0.255  0.00  0.00    -0.484 OA
ATOM     26  C   LIG    1       -5.778  -1.938   0.612  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -6.233  -0.621   1.273  0.00  0.00    +0.086 C 
ATOM     28  C   LIG    1       -6.886  -2.535  -0.255  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1       -5.316  -2.967   1.652  0.00  0.00    +0.056 C 
ATOM     30  C   LIG    1       -5.034   0.218   1.028  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.751   1.481   1.519  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -3.579   2.106   1.093  0.00  0.00    +0.048 A 
BRANCH  22  34
ATOM     33  C   LIG    1       -1.869   3.137  -1.158  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.571   2.117  -0.195  0.00  0.00    -0.493 OA
ENDBRANCH  22  34
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 7