REMARK  Name = BDB059083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.828  -0.578  -2.852  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        4.961  -0.269  -2.060  0.00  0.00    +0.340 C 
ATOM      3  C   LIG    1        5.120   0.541  -0.863  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1        3.897   0.658  -0.230  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        3.793   1.390   0.944  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        4.946   1.994   1.458  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        6.181   1.865   0.801  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.863  -0.082  -1.008  0.00  0.00    +0.142 C 
ATOM      9  C   LIG    1        2.282  -1.262  -0.222  0.00  0.00    +0.072 C 
ATOM     10  C   LIG    1        0.929  -1.671  -0.792  0.00  0.00    +0.112 C 
ATOM     11  N   LIG    1       -0.029  -0.567  -0.693  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1        0.513   0.797  -0.771  0.00  0.00    +0.112 C 
ATOM     13  C   LIG    1        1.785   0.829  -1.606  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1        6.277   1.128  -0.378  0.00  0.00    +0.015 A 
ATOM     15  O   LIG    1        3.643  -0.619  -2.117  0.00  0.00    -0.450 OA
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1       -1.354  -0.733  -0.330  0.00  0.00    +0.198 A 
ATOM     17  N   LIG    1       -1.927  -1.961  -0.519  0.00  0.00    -0.295 N 
ATOM     18  H   LIG    1       -1.421  -2.698  -0.975  0.00  0.00    +0.172 HD
ATOM     19  C   LIG    1       -3.232  -2.236  -0.240  0.00  0.00    +0.256 A 
ATOM     20  O   LIG    1       -3.732  -3.330  -0.479  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1       -3.998  -1.128   0.358  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.422  -1.379   0.749  0.00  0.00    +0.042 C 
ATOM     23  C   LIG    1       -5.997  -0.271   1.634  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.585   1.106   1.126  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -4.061   1.245   1.090  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1       -3.354   0.040   0.513  0.00  0.00    +0.053 A 
ATOM     27  N   LIG    1       -2.043   0.252   0.164  0.00  0.00    -0.220 NA
ENDBRANCH  11  16
TORSDOF 1