REMARK  Name = BDB051878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.850  -2.271  -1.497  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        0.363  -1.354  -0.848  0.00  0.00    +0.194 A 
ATOM      3  C   LIG    1        1.155  -0.348  -0.089  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.420   0.629   0.594  0.00  0.00    +0.140 A 
ATOM      5  C   LIG    1        1.065   1.616   1.334  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        2.453   1.636   1.399  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        3.219   0.674   0.728  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        4.620   0.734   0.821  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        5.425  -0.198   0.173  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.836  -1.203  -0.578  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.444  -1.274  -0.679  0.00  0.00    +0.009 A 
ATOM     12  O   LIG    1       -0.951   0.703   0.599  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -1.673  -0.238  -0.111  0.00  0.00    +0.157 A 
ATOM     14  C   LIG    1        2.585  -0.345  -0.035  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1       -1.102  -1.227  -0.809  0.00  0.00    +0.100 A 
ENDROOT
BRANCH  13  16
ATOM     16  C   LIG    1       -3.147  -0.080  -0.049  0.00  0.00    +0.106 A 
ATOM     17  N   LIG    1       -3.889  -0.987  -0.735  0.00  0.00    -0.252 NA
ATOM     18  C   LIG    1       -5.235  -0.865  -0.694  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -5.897   0.129   0.004  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -5.134   1.053   0.703  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.743   0.951   0.678  0.00  0.00    +0.031 A 
ENDBRANCH  13  16
TORSDOF 1