REMARK  Name = BDB032655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.060  -1.460   2.251  0.00  0.00    -0.201 N 
ATOM      2  H   LIG    1        0.201  -1.396   3.257  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.116  -0.911   1.767  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -1.953  -0.310   2.613  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -3.012   0.133   1.839  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -2.811  -0.224   0.538  0.00  0.00    +0.173 A 
ATOM      7  C   LIG    1       -1.605  -0.882   0.448  0.00  0.00    +0.098 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.829   0.180  -0.430  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -5.207   0.220  -0.122  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1       -6.122   0.625  -1.104  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -5.686   0.985  -2.381  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.333   0.940  -2.694  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.412   0.538  -1.726  0.00  0.00    +0.015 A 
BRANCH   9  14
ATOM     14  O   LIG    1       -5.573  -0.183   1.137  0.00  0.00    -0.494 OA
ATOM     15  C   LIG    1       -6.939  -0.059   1.508  0.00  0.00    +0.277 C 
ENDBRANCH   9  14
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        1.458  -1.636   1.356  0.00  0.00    +0.048 S 
ATOM     17  O   LIG    1        2.425  -2.202   2.275  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1        1.123  -2.297   0.112  0.00  0.00    -0.155 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.901   0.080   1.027  0.00  0.00    +0.223 C 
BRANCH  19  22
ATOM     20  C   LIG    1        5.639   0.403   0.323  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        4.411   0.355   0.990  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1        3.214   0.127   0.293  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1        3.268  -0.058  -1.094  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        4.490  -0.013  -1.764  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.674   0.220  -1.059  0.00  0.00    +0.045 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.999   0.612   0.515  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.718   0.638   1.131  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7