REMARK  Name = BDB037167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.924   0.057  -1.813  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.431  -0.790  -2.093  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.418   0.800  -0.738  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.950   1.793  -0.270  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.848   0.225  -0.185  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        1.271  -0.946  -0.744  0.00  0.00    -0.250 NA
ATOM      7  C   LIG    1        2.410  -1.475  -0.243  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        3.147  -0.910   0.793  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        2.679   0.297   1.319  0.00  0.00    +0.129 A 
ATOM     10  C   LIG    1        1.507   0.874   0.845  0.00  0.00    +0.079 A 
BRANCH   9  11
ATOM     11  O   LIG    1        3.356   0.864   2.366  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        3.910   2.133   2.007  0.00  0.00    +0.277 C 
ENDBRANCH   9  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.411  -1.563   1.280  0.00  0.00    +0.183 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.508  -1.364   0.341  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.145  -0.175   0.278  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.070  -0.360  -0.667  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.037  -1.660  -1.202  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.020  -2.291  -0.525  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.291   0.411  -2.679  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.118   1.743  -3.214  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.496  -0.726  -3.554  0.00  0.00    -0.150 OA
BRANCH  19  24
ATOM     22  C   LIG    1       -4.600  -0.885   0.378  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1       -3.624  -0.780  -0.622  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1       -3.571   0.351  -1.456  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -4.501   1.376  -1.297  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1       -5.487   1.266  -0.312  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -5.527   0.152   0.530  0.00  0.00    +0.007 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -3.704  -1.923   2.476  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -4.638  -2.087   1.287  0.00  0.00    +0.032 C 
ENDBRANCH  22  29
BRANCH  25  30
ATOM     30  O   LIG    1       -4.552   2.449  -2.141  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -4.023   3.617  -1.511  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 8