REMARK  Name = BDB013117
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.452  -0.255  -0.234  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.323  -0.862   0.675  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.675  -0.627   0.689  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        3.225  -1.331   1.658  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.229  -2.065   2.265  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.192   0.269  -0.289  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        2.289   0.779  -1.157  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.100  -1.786   1.653  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        0.927   0.540  -1.154  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.625   0.614  -0.425  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        5.077   1.924  -0.598  0.00  0.00    +0.221 A 
ATOM     12  F   LIG    1        4.182   2.925  -0.645  0.00  0.00    -0.183 F 
ATOM     13  N   LIG    1        6.376   2.283  -0.723  0.00  0.00    -0.227 NA
ATOM     14  C   LIG    1        7.286   1.290  -0.651  0.00  0.00    +0.114 A 
ATOM     15  C   LIG    1        6.956  -0.042  -0.467  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.609  -0.380  -0.351  0.00  0.00    +0.014 A 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1       -0.900  -0.505  -0.188  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.302  -0.184  -1.067  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.687   0.062   0.904  0.00  0.00    +0.143 C 
BRANCH  19  22
ATOM     20  F   LIG    1       -2.600  -2.208   2.305  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.489  -1.582   1.519  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1       -3.098  -0.436   0.812  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.060   0.166   0.007  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.957   1.325  -0.913  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.442   1.560  -1.187  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.168   0.337  -0.929  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.345  -0.357  -0.082  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.731  -1.489   0.608  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -4.785  -2.106   1.425  0.00  0.00    +0.042 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4