REMARK  Name = BDB006996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.316  -1.457   0.798  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.930  -1.338   0.608  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.354  -0.088   0.728  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        1.013   0.308   0.582  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1        0.932   1.754   0.875  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1        2.370   2.280   1.107  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        2.797   3.240  -0.008  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1        2.509   2.945   2.478  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -0.043  -0.533   0.258  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1        0.092  -1.743   0.053  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        3.165   0.996   1.036  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1        4.498   0.932   1.230  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1        5.040  -0.303   1.112  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        5.015  -2.785   0.673  0.00  0.00    +0.275 C 
ATOM     15  F   LIG    1        6.299  -2.747   1.143  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1        4.396  -3.740   1.432  0.00  0.00    -0.200 F 
BRANCH  14  18
ATOM     17  C   LIG    1        5.863  -2.435  -1.715  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        5.064  -3.315  -0.764  0.00  0.00    +0.077 C 
ENDBRANCH  14  18
ENDBRANCH   1  14
BRANCH   9  19
ATOM     19  C   LIG    1       -1.443   0.111   0.168  0.00  0.00    +0.181 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.007  -0.048  -1.199  0.00  0.00    -0.287 NA
ATOM     21  C   LIG    1       -3.469   0.230  -1.250  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1       -3.840   1.643  -0.713  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -2.815   2.683  -0.946  0.00  0.00    -0.311 NA
ATOM     24  H   LIG    1       -3.262   3.593  -1.046  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1       -1.914   2.396  -2.075  0.00  0.00    +0.065 C 
ATOM     26  C   LIG    1       -2.571   2.800  -3.399  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1       -1.364   0.925  -2.125  0.00  0.00    +0.103 C 
BRANCH  21  28
ATOM     28  C   LIG    1       -4.452  -0.895  -0.810  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.246  -1.545   0.470  0.00  0.00    -0.300 N 
ATOM     30  C   LIG    1       -4.633  -1.028   1.693  0.00  0.00    +0.216 C 
ATOM     31  O   LIG    1       -5.226   0.019   1.887  0.00  0.00    -0.276 OA
ATOM     32  C   LIG    1       -4.137  -1.967   2.764  0.00  0.00    +0.097 C 
ATOM     33  C   LIG    1       -3.870  -3.256   1.996  0.00  0.00    +0.028 C 
ATOM     34  C   LIG    1       -3.522  -2.789   0.595  0.00  0.00    +0.108 C 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 6