REMARK  Name = BDB064952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.159   0.003   1.214  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.079   0.153   0.329  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.271   0.116   0.750  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -1.480  -0.084   2.129  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.419  -0.236   3.027  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.895  -0.193   2.571  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.980   2.310  -1.159  0.00  0.00    +0.152 C 
ATOM      8  N   LIG    1        4.392   1.171  -0.467  0.00  0.00    -0.317 N 
ATOM      9  C   LIG    1        3.079   1.269   0.007  0.00  0.00    +0.259 A 
ATOM     10  O   LIG    1        2.385   2.276  -0.117  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        2.542   0.046   0.707  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        3.337  -1.032   0.841  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.699  -1.049   0.339  0.00  0.00    +0.072 A 
ATOM     14  C   LIG    1        5.167   0.038  -0.291  0.00  0.00    +0.101 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.511  -2.294   0.551  0.00  0.00    +0.419 C 
ATOM     16  F   LIG    1        6.765  -2.197   0.039  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        4.934  -3.378  -0.029  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        5.649  -2.583   1.871  0.00  0.00    -0.166 F 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   3  19
ATOM     19  C   LIG    1       -2.465   0.291  -0.321  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -3.907   0.673   0.169  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -3.523   2.158  -0.026  0.00  0.00    -0.012 C 
ATOM     22  C   LIG    1       -4.618   3.082  -0.519  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -2.500   1.673  -1.080  0.00  0.00    +0.022 C 
BRANCH  19  24
ATOM     24  C   LIG    1       -2.485  -0.950  -1.303  0.00  0.00    +0.144 A 
ATOM     25  N   LIG    1       -2.754  -2.253  -0.989  0.00  0.00    -0.320 N 
ATOM     26  C   LIG    1       -3.078  -2.804   0.298  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1       -2.636  -2.953  -2.150  0.00  0.00    +0.224 A 
ATOM     28  N   LIG    1       -2.312  -2.135  -3.123  0.00  0.00    -0.138 NA
ATOM     29  N   LIG    1       -2.210  -0.873  -2.589  0.00  0.00    -0.134 NA
ENDBRANCH  19  24
ENDBRANCH   3  19
TORSDOF 4