REMARK  Name = BDB020698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.287  -2.061  -0.922  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.481  -0.817  -1.120  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1        0.341   0.388  -1.511  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -1.835  -0.848  -0.945  0.00  0.00    +0.044 A 
ATOM      5  N   LIG    1       -2.429  -2.086  -0.560  0.00  0.00    -0.317 N 
ATOM      6  C   LIG    1       -1.701  -3.266  -0.382  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.559  -4.286  -0.026  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.840  -3.723   0.038  0.00  0.00    +0.036 A 
ATOM      9 BR   LIG    1       -5.389  -4.666   0.499  0.00  0.00    -0.049 Br
ATOM     10  C   LIG    1       -3.750  -2.392  -0.276  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1       -0.300  -3.224  -0.586  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        2.446  -2.358   0.070  0.00  0.00    -0.307 N 
ATOM     13  H   LIG    1        1.921  -2.478   0.925  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1        1.769  -2.111  -1.101  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        2.294  -1.901  -2.186  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        3.895  -2.350   0.135  0.00  0.00    +0.145 C 
BRANCH  16  23
ATOM     17  C   LIG    1        6.226   2.979  -0.130  0.00  0.00    +0.063 C 
ATOM     18  C   LIG    1        5.585   1.637   0.042  0.00  0.00    +0.016 A 
ATOM     19  N   LIG    1        6.066   0.611  -0.729  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        6.838   0.767  -1.365  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        5.599  -0.679  -0.691  0.00  0.00    +0.254 A 
ATOM     22  O   LIG    1        6.139  -1.561  -1.350  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1        4.434  -0.948   0.221  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.002   0.061   1.016  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        2.933  -0.062   2.066  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        4.588   1.389   0.903  0.00  0.00    +0.024 A 
ENDBRANCH  16  23
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   4  27
ATOM     27  C   LIG    1       -2.746   0.372  -1.180  0.00  0.00    +0.101 C 
ATOM     28  C   LIG    1       -3.581   0.119  -2.455  0.00  0.00    +0.031 C 
BRANCH  27  29
ATOM     29  N   LIG    1       -3.537   0.763   0.016  0.00  0.00    -0.294 NA
ATOM     30  C   LIG    1       -2.675   0.962   1.202  0.00  0.00    +0.091 C 
ATOM     31  C   LIG    1       -3.373   1.759   2.294  0.00  0.00    +0.091 C 
ATOM     32  C   LIG    1       -3.686   3.149   1.777  0.00  0.00    +0.251 C 
ATOM     33  F   LIG    1       -4.754   3.640   2.459  0.00  0.00    -0.206 F 
ATOM     34  F   LIG    1       -2.647   3.982   2.060  0.00  0.00    -0.206 F 
ATOM     35  C   LIG    1       -3.957   3.211   0.286  0.00  0.00    +0.091 C 
ATOM     36  C   LIG    1       -4.487   1.869  -0.197  0.00  0.00    +0.091 C 
ENDBRANCH  27  29
ENDBRANCH   4  27
TORSDOF 5