REMARK  Name = BDB001949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.502   0.640  -0.713  0.00  0.00    +0.069 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.771  -0.140  -0.846  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.021   0.146  -0.208  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -2.926  -0.840  -0.602  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -4.253  -0.872  -0.157  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -4.668   0.136   0.718  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.790   1.136   1.128  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -2.258  -1.685  -1.456  0.00  0.00    -0.360 N 
ATOM      9  H   LIG    1       -2.673  -2.490  -1.904  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -2.466   1.153   0.673  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -0.961  -1.277  -1.608  0.00  0.00    +0.087 A 
ENDBRANCH   1   2
BRANCH   1  18
ATOM     12  C   LIG    1        4.970   0.714   0.909  0.00  0.00    +0.140 C 
ATOM     13  N   LIG    1        3.595   0.272   0.790  0.00  0.00    -0.255 N 
ATOM     14  C   LIG    1        3.152  -1.021   0.769  0.00  0.00    +0.140 C 
ATOM     15  S   LIG    1        4.020  -2.427   0.879  0.00  0.00    -0.018 S 
ATOM     16  N   LIG    1        1.783  -1.013   0.634  0.00  0.00    -0.315 N 
ATOM     17  H   LIG    1        1.221  -1.857   0.636  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        1.243   0.327   0.583  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1        2.534   1.139   0.678  0.00  0.00    +0.241 C 
ATOM     20  O   LIG    1        2.590   2.362   0.656  0.00  0.00    -0.273 OA
ENDBRANCH   1  18
TORSDOF 2