REMARK  Name = BDB027789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.340  -0.005   0.113  0.00  0.00    +0.180 A 
ATOM      2  N   LIG    1       -1.852  -1.084  -0.481  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -0.976  -1.939  -1.025  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.408  -1.750  -0.978  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.257  -2.693  -1.607  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        0.697  -3.791  -2.235  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -0.627  -4.011  -2.280  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.838  -0.593  -0.298  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -1.415  -3.080  -1.681  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -0.036   0.276   0.227  0.00  0.00    -0.211 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -4.477  -0.158   0.186  0.00  0.00    +0.173 C 
ATOM     12  N   LIG    1       -3.627   0.880   0.726  0.00  0.00    -0.264 N 
ATOM     13  C   LIG    1       -2.252   0.962   0.702  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1       -1.966   2.153   1.353  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -3.203   2.696   1.722  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1       -4.221   1.926   1.345  0.00  0.00    -0.179 NA
ENDBRANCH   1  13
BRANCH   8  17
ATOM     17  N   LIG    1        2.236  -0.349  -0.195  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1        2.680  -1.190   0.175  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.894   0.916   0.311  0.00  0.00    +0.129 C 
ATOM     20  C   LIG    1        2.225   2.270   0.165  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1        2.337   1.637   1.526  0.00  0.00    +0.037 C 
BRANCH  19  22
ATOM     22  C   LIG    1        4.425   0.902   0.162  0.00  0.00    +0.411 C 
ATOM     23  F   LIG    1        5.019   1.955   0.770  0.00  0.00    -0.168 F 
ATOM     24  F   LIG    1        4.927  -0.233   0.712  0.00  0.00    -0.168 F 
ATOM     25  F   LIG    1        4.783   0.916  -1.144  0.00  0.00    -0.168 F 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   8  17
TORSDOF 4