REMARK  Name = BDB034923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.947  -2.366   1.802  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -1.565  -1.808   1.681  0.00  0.00    +0.025 A 
ATOM      3  N   LIG    1       -1.221  -0.691   0.888  0.00  0.00    -0.322 N 
ATOM      4  C   LIG    1        0.134  -0.342   0.979  0.00  0.00    +0.168 A 
ATOM      5  N   LIG    1        0.714   0.645   0.376  0.00  0.00    -0.136 NA
ATOM      6  S   LIG    1        0.959  -1.510   2.054  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1       -0.531  -2.347   2.351  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        2.054   0.843   0.614  0.00  0.00    +0.345 C 
ATOM      9  N   LIG    1        3.022   0.351  -0.305  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        4.411   0.444  -0.211  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1        4.948  -0.185  -1.335  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        6.277  -0.287  -1.575  0.00  0.00    -0.253 NA
ATOM     13  C   LIG    1        7.070   0.270  -0.638  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        6.630   0.912   0.508  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.885  -0.665  -2.124  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        5.263   1.012   0.747  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        2.718  -0.329  -1.481  0.00  0.00    +0.098 A 
ATOM     18  O   LIG    1        2.459   1.473   1.585  0.00  0.00    -0.247 OA
ENDBRANCH   5   8
BRANCH   3  19
ATOM     19  C   LIG    1       -2.136   0.197   0.148  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1       -3.017  -0.536  -0.867  0.00  0.00    +0.025 C 
ATOM     21  C   LIG    1       -3.791   0.455  -1.742  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.214   1.726  -0.998  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.297   1.517   0.510  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -2.949   1.091   1.099  0.00  0.00    +0.025 C 
ENDBRANCH   3  19
TORSDOF 2