REMARK  Name = BDB055649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.231  -0.178   0.014  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        3.106  -0.747  -0.613  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1        1.853  -0.358  -0.189  0.00  0.00    +0.043 A 
ATOM      4  N   LIG    1        0.614  -0.818  -0.608  0.00  0.00    -0.310 N 
ATOM      5  H   LIG    1        0.422  -1.334  -1.462  0.00  0.00    +0.152 HD
ATOM      6  C   LIG    1       -0.409  -0.155   0.065  0.00  0.00    +0.092 C 
ATOM      7  C   LIG    1        0.274   0.730   1.093  0.00  0.00    +0.210 C 
ATOM      8  O   LIG    1       -0.200   1.456   1.940  0.00  0.00    -0.285 OA
ATOM      9  C   LIG    1       -1.728  -0.254  -0.166  0.00  0.00    +0.071 C 
ATOM     10  C   LIG    1       -2.945   0.337   0.414  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -3.195   1.232   1.438  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -4.520   1.577   1.728  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.584   1.029   0.997  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -5.352   0.120  -0.047  0.00  0.00    +0.077 A 
ATOM     15  C   LIG    1       -4.027  -0.204  -0.308  0.00  0.00    +0.053 A 
ATOM     16  N   LIG    1       -3.558  -1.077  -1.288  0.00  0.00    -0.280 N 
ATOM     17  H   LIG    1       -4.129  -1.584  -1.953  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -2.180  -1.163  -1.282  0.00  0.00    +0.251 C 
ATOM     19  O   LIG    1       -1.485  -1.821  -2.034  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        1.719   0.552   0.862  0.00  0.00    +0.045 A 
ATOM     21  C   LIG    1        2.796   1.131   1.503  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        4.070   0.758   1.066  0.00  0.00    +0.016 A 
ENDROOT
BRANCH  14  23
ATOM     23  C   LIG    1       -6.508  -0.462  -0.804  0.00  0.00    +0.419 C 
ATOM     24  F   LIG    1       -6.144  -1.221  -1.878  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1       -7.282  -1.270  -0.028  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -7.345   0.494  -1.296  0.00  0.00    -0.166 F 
ENDBRANCH  14  23
BRANCH   1  27
ATOM     27  C   LIG    1        5.576  -0.603  -0.466  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        5.743  -1.402  -1.374  0.00  0.00    -0.245 OA
BRANCH  27  30
ATOM     29  C   LIG    1        7.877  -0.344  -0.167  0.00  0.00    +0.280 C 
ATOM     30  O   LIG    1        6.555   0.016   0.239  0.00  0.00    -0.464 OA
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 3