REMARK  Name = BDB005217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.194  -0.380  -3.300  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.738  -0.018  -1.921  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.864  -0.460  -0.847  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        2.497  -1.331   0.028  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        2.024  -1.828   1.032  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        3.878  -1.533  -0.452  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.931  -2.305   0.028  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        6.137  -2.253  -0.706  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        6.277  -1.458  -1.854  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.210  -0.691  -2.312  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.015  -0.743  -1.609  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.543   0.139  -0.626  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -0.575  -0.903  -0.593  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -1.934  -0.230  -0.385  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -1.942   0.594   0.829  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -0.893   1.622   0.804  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.495   1.003   0.635  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.259   1.149   1.206  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.305   0.059   1.495  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.558   0.639   2.161  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -5.845   2.090   1.770  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -5.346   2.406   0.368  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -3.832   2.204   0.230  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        4.943  -3.190   1.228  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        5.870  -3.974   1.415  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        3.937  -3.122   2.139  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        3.937  -3.803   2.885  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        3.061  -2.628   1.971  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 3