REMARK  Name = BDB002796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.692  -0.831   0.430  0.00  0.00    +0.018 C 
ATOM      2  C   LIG    1       -2.264  -1.295   0.492  0.00  0.00    +0.016 C 
ATOM      3  C   LIG    1       -1.902  -2.536  -0.456  0.00  0.00    -0.017 C 
ATOM      4  C   LIG    1       -2.708  -3.825  -0.203  0.00  0.00    +0.012 C 
ATOM      5  C   LIG    1       -2.018  -2.242  -1.971  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1       -0.404  -2.591   0.057  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -0.011  -1.156  -0.098  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        1.085  -0.315  -0.271  0.00  0.00    +0.151 A 
ATOM      9  N   LIG    1        0.665   0.963  -0.147  0.00  0.00    -0.161 NA
ATOM     10  N   LIG    1       -0.697   0.928   0.067  0.00  0.00    -0.235 N 
ATOM     11  C   LIG    1       -0.614  -2.783   1.587  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -1.119  -0.370   0.122  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1       -1.863  -1.887   1.895  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1        2.475  -0.743  -0.538  0.00  0.00    +0.267 C 
ATOM     15  N   LIG    1        3.524   0.175  -0.446  0.00  0.00    -0.292 N 
ATOM     16  C   LIG    1        4.855  -0.223  -0.902  0.00  0.00    +0.136 C 
ATOM     17  C   LIG    1        5.624   0.985  -1.444  0.00  0.00    +0.179 C 
ATOM     18  O   LIG    1        5.787   2.047  -0.493  0.00  0.00    -0.377 OA
ATOM     19  C   LIG    1        4.809   2.045   0.554  0.00  0.00    +0.179 C 
ATOM     20  C   LIG    1        3.434   1.526   0.116  0.00  0.00    +0.136 C 
ATOM     21  O   LIG    1        2.704  -1.915  -0.852  0.00  0.00    -0.268 OA
ENDBRANCH   8  14
BRANCH  10  22
ATOM     22  C   LIG    1       -1.390   2.162   0.191  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -2.744   2.286  -0.116  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -3.390   3.520   0.018  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.682   4.642   0.443  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -1.322   4.538   0.718  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -0.675   3.307   0.583  0.00  0.00    +0.028 A 
ENDBRANCH  10  22
TORSDOF 2