REMARK  Name = BDB041492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.090  -0.567   1.375  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.601  -0.112   1.969  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.265  -0.830   0.047  0.00  0.00    +0.282 C 
ATOM      4  O   LIG    1       -0.515  -1.181  -0.823  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.719  -0.605  -0.218  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        2.444  -0.090   0.814  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        3.760   0.115   0.585  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.388  -0.140  -0.635  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        3.603  -0.666  -1.672  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.248  -0.902  -1.465  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.522   0.678   1.585  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.941   0.550   2.879  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.862   0.090  -0.826  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.619  -1.138  -0.623  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        7.000  -1.506   0.618  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        7.664  -2.648   0.421  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.726  -3.005  -0.937  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        7.048  -2.004  -1.592  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.633  -0.592   1.984  0.00  0.00    +0.096 S 
ATOM     20  O   LIG    1       -1.562   0.102   3.259  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1       -2.091  -1.966   1.929  0.00  0.00    -0.148 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.186   1.714   0.562  0.00  0.00    +0.165 A 
ATOM     23  C   LIG    1       -2.595   0.429   0.880  0.00  0.00    +0.239 A 
ATOM     24  N   LIG    1       -3.754  -0.143   0.447  0.00  0.00    -0.228 NA
ATOM     25  C   LIG    1       -4.537   0.574  -0.392  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -4.174   1.865  -0.788  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -2.991   2.435  -0.311  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.826  -0.083  -0.900  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.047   0.764  -0.493  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -6.014  -1.497  -0.307  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1       -5.777  -0.218  -2.434  0.00  0.00    +0.017 C 
ENDBRANCH  25  28
BRANCH  22  33
ATOM     32  C   LIG    1       -1.240   3.313   1.926  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -1.009   2.236   1.015  0.00  0.00    -0.492 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8