REMARK  Name = BDB017009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.608  -1.216  -0.126  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.851  -2.372  -0.095  0.00  0.00    -0.234 NA
ATOM      3  C   LIG    1       -0.677  -2.049  -0.584  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -0.632  -0.729  -0.922  0.00  0.00    -0.335 N 
ATOM      5  C   LIG    1       -1.855  -0.181  -0.648  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -6.131  -0.069   0.474  0.00  0.00    +0.062 A 
ATOM      7  C   LIG    1       -4.821  -0.076  -0.009  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -3.993  -1.135   0.339  0.00  0.00    +0.091 A 
ATOM      9  N   LIG    1       -4.420  -2.154   1.127  0.00  0.00    -0.253 NA
ATOM     10  C   LIG    1       -5.691  -2.123   1.578  0.00  0.00    +0.112 A 
ATOM     11  C   LIG    1       -6.579  -1.111   1.284  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -8.234   1.091   0.525  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -7.079   1.020   0.151  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.534   1.973  -0.625  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.264   2.614  -0.757  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1        0.514  -0.039  -1.483  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.452   0.487  -0.386  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1        2.593   1.246  -0.940  0.00  0.00    -0.292 NA
ATOM     19  C   LIG    1        3.301   1.977   0.156  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        4.507   1.162   0.487  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1        4.696   0.198  -0.500  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        5.769  -0.678  -0.459  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.659  -0.575   0.614  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1        6.460   0.398   1.601  0.00  0.00    +0.124 A 
ATOM     25  F   LIG    1        7.329   0.483   2.617  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1        5.386   1.282   1.549  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        3.619   0.330  -1.528  0.00  0.00    +0.120 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 6