REMARK  Name = BDB057825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.010   1.006  -0.163  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.254   2.381  -0.025  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.607   2.729   0.053  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.944   4.070   0.203  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.974   5.074   0.266  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.370   4.739   0.174  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.590   1.828  -0.014  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -2.237   0.543  -0.166  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        0.731   3.401   0.027  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.977   0.097  -0.254  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -3.324  -0.445  -0.293  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -3.272  -1.740   0.277  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -4.344  -2.637   0.066  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -5.465  -2.263  -0.673  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.536  -0.988  -1.215  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.480  -0.095  -1.026  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -2.105  -2.208   1.119  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -1.651  -1.284   2.011  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -1.032  -2.609   0.381  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.423  -3.296   1.887  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1        1.349   0.566  -0.246  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.867   0.942   0.544  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.516  -0.880  -0.327  0.00  0.00    +0.138 C 
BRANCH  23  27
ATOM     24  C   LIG    1        5.744  -1.750  -0.605  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        5.088  -1.107  -1.658  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        3.722  -0.829  -1.565  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        2.995  -1.192  -0.420  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        3.661  -1.833   0.633  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        5.028  -2.112   0.541  0.00  0.00    +0.019 A 
BRANCH  24  31
ATOM     30  N   LIG    1        8.281  -2.264  -0.769  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1        7.146  -2.035  -0.697  0.00  0.00    +0.099 C 
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6