REMARK  Name = BDB039929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.711  -1.560  -1.065  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        0.485  -0.881  -0.916  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -0.367  -1.125   0.175  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.043  -2.075   1.118  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        1.248  -2.769   0.974  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.077  -2.518  -0.113  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.600  -0.426   0.301  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -2.502  -0.517   1.367  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -2.451  -1.141   2.411  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -3.642   0.348   1.038  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.788   0.588   1.774  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -5.730   1.462   1.234  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.507   2.071  -0.016  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.335   1.819  -0.753  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -3.408   0.941  -0.197  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -2.090   0.479  -0.730  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -4.085   2.463  -2.090  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -2.909   3.150  -2.116  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -5.047   3.348  -2.465  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -3.999   1.548  -3.093  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1        2.632  -1.238  -2.228  0.00  0.00    +0.281 C 
ATOM     22  F   LIG    1        3.307  -2.333  -2.680  0.00  0.00    -0.200 F 
ATOM     23  F   LIG    1        1.906  -0.813  -3.314  0.00  0.00    -0.200 F 
BRANCH  21  24
ATOM     24  C   LIG    1        3.626  -0.113  -1.911  0.00  0.00    +0.156 C 
BRANCH  24  27
ATOM     25  C   LIG    1        3.548   1.112   0.971  0.00  0.00    +0.151 C 
ATOM     26  N   LIG    1        4.477   0.131   0.478  0.00  0.00    -0.320 N 
ATOM     27  C   LIG    1        4.542  -0.419  -0.778  0.00  0.00    +0.139 A 
ATOM     28  N   LIG    1        5.551  -1.266  -0.808  0.00  0.00    -0.134 NA
ATOM     29  N   LIG    1        6.135  -1.286   0.435  0.00  0.00    -0.138 NA
ATOM     30  C   LIG    1        5.480  -0.443   1.196  0.00  0.00    +0.224 A 
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5