REMARK  Name = BDB032577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.768  -2.149  -1.018  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        0.620  -2.232  -2.018  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -1.953  -0.331   0.354  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -1.062  -0.359   1.388  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        0.074  -1.049   1.012  0.00  0.00    -0.061 NA
ATOM      6  C   LIG    1       -0.133  -1.434  -0.247  0.00  0.00    +0.181 A 
ATOM      7  C   LIG    1       -1.394  -1.006  -0.708  0.00  0.00    +0.098 A 
BRANCH   3   9
ATOM      8  C   LIG    1       -4.018   0.884  -0.439  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -3.213   0.370   0.606  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1       -3.650   0.538   1.936  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -4.848   1.190   2.228  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -5.628   1.685   1.192  0.00  0.00    +0.044 A 
ATOM     13 CL   LIG    1       -7.108   2.489   1.546  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -5.222   1.536  -0.134  0.00  0.00    +0.066 A 
BRANCH   8  16
ATOM     15  C   LIG    1       -4.301   1.292  -2.785  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -3.553   0.715  -1.721  0.00  0.00    -0.494 OA
ENDBRANCH   8  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  S   LIG    1        2.346  -2.476  -0.559  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1        2.282  -3.288   0.638  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1        3.001  -2.987  -1.750  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.056  -0.889  -0.227  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1        2.916   0.134  -1.177  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1        3.416   1.414  -0.916  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        4.112   1.664   0.264  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        4.302   0.636   1.186  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        3.763  -0.635   0.952  0.00  0.00    +0.150 A 
BRANCH  21  26
ATOM     26  O   LIG    1        2.240  -0.081  -2.352  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1        3.141  -0.076  -3.464  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
BRANCH  25  28
ATOM     28  O   LIG    1        4.057  -1.627   1.846  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1        3.293  -1.486   3.046  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7