REMARK  Name = BDB028762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.929  -1.436  -0.764  0.00  0.00    -0.112 S 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -5.216  -0.213   1.389  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1       -4.182  -0.096   0.737  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1       -4.186  -0.247  -0.626  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -5.090  -0.416  -1.046  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -3.148  -0.042  -1.505  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -3.344  -0.067  -2.719  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.770   0.194  -0.901  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1       -1.911   0.916   0.439  0.00  0.00    +0.033 C 
ATOM     10  C   LIG    1       -2.849   0.183   1.387  0.00  0.00    +0.098 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        0.746  -0.905  -0.475  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        1.462  -0.206  -1.451  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.779   0.198  -1.210  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        3.394  -0.105   0.011  0.00  0.00    +0.059 A 
ATOM     15  C   LIG    1        2.683  -0.819   0.983  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        1.366  -1.222   0.738  0.00  0.00    +0.015 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.787   0.300   0.315  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1        5.385   0.075   1.351  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        5.366   0.973  -0.694  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        6.267   1.169  -0.361  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   1  11
TORSDOF 4