REMARK  Name = BDB017008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.902   0.242  -0.274  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        2.624  -0.274  -1.525  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1        1.318  -0.200  -1.651  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1        0.740   0.333  -0.536  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1        1.734   0.625   0.353  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        6.602   0.097   0.117  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1        5.346  -0.008  -0.473  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        4.242   0.354   0.283  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1        4.346   0.813   1.560  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1        5.582   0.927   2.090  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1        6.737   0.583   1.416  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        7.973   0.079  -1.819  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        7.790  -0.282  -0.671  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        8.628  -1.087   0.013  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        8.267  -1.436   0.850  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -0.677   0.570  -0.344  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.388  -0.652   0.249  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.807  -0.446   0.551  0.00  0.00    -0.310 NA
ATOM     19  H   LIG    1       -2.942   0.374   1.139  0.00  0.00    +0.122 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.647  -0.355  -0.640  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.106  -0.259  -0.259  0.00  0.00    -0.015 A 
ATOM     22  C   LIG    1       -5.914  -1.389  -0.052  0.00  0.00    +0.045 A 
ATOM     23 CL   LIG    1       -5.312  -2.998  -0.243  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -7.256  -1.244   0.319  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -7.806   0.025   0.493  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -7.016   1.154   0.301  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.676   1.014  -0.069  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8