REMARK  Name = BDB037141
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.024   1.111   1.286  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.419   2.192   0.490  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1       -0.160   2.518  -0.276  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.800   0.430   1.937  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.747   1.390   0.861  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -4.169   0.113   1.257  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -3.198  -0.819   1.654  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.843  -0.476   1.660  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.434   0.807   1.273  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -2.395   1.747   0.886  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.619   2.663  -0.860  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -4.691   2.325   0.527  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -5.628  -0.273   1.237  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.958  -1.057   0.053  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.258  -0.446  -1.114  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.531  -1.458  -1.942  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.417  -2.711  -1.314  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.052  -2.421  -0.021  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        2.001   2.669   0.280  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        2.001   3.591  -0.838  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.514   3.088   1.567  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.852   1.202  -0.238  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        2.413   0.486  -1.357  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        3.122  -0.661  -1.722  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.248  -1.077  -0.996  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.701  -0.361   0.120  0.00  0.00    -0.015 A 
ATOM     27  C   LIG    1        3.978   0.787   0.490  0.00  0.00    +0.039 A 
BRANCH  26  28
ATOM     28  C   LIG    1        5.912  -0.787   0.950  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1        6.813  -1.837   0.285  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1        5.468  -1.302   2.324  0.00  0.00    +0.046 C 
BRANCH  28  31
ATOM     31  O   LIG    1        6.748   0.358   1.169  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        6.726   0.895   0.358  0.00  0.00    +0.211 HD
ENDBRANCH  28  31
ENDBRANCH  26  28
BRANCH  23  33
ATOM     33  O   LIG    1        1.291   0.929  -2.002  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        1.049   0.419  -3.309  0.00  0.00    +0.277 C 
ENDBRANCH  23  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 9