REMARK  Name = BDB033044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.122  -0.089   1.588  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.124  -0.490   0.793  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.142  -0.619   1.810  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -1.592  -0.855   3.057  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.196  -1.133   4.081  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.092  -0.773   2.938  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        0.983   0.722  -0.946  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.739   0.042  -0.263  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1        1.387  -0.464   0.975  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.148  -0.718   1.593  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.126  -0.246  -0.726  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.720   0.664  -1.614  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        5.025   0.397  -2.046  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        5.737  -0.730  -1.636  0.00  0.00    -0.000 A 
ATOM     15  C   LIG    1        7.011  -0.671  -2.266  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        7.047   0.470  -3.034  0.00  0.00    +0.083 A 
ATOM     17  C   LIG    1        5.120  -1.642  -0.759  0.00  0.00    +0.011 A 
ATOM     18  N   LIG    1        5.842   1.107  -2.898  0.00  0.00    -0.361 N 
ATOM     19  H   LIG    1        5.582   1.970  -3.354  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1        3.813  -1.393  -0.314  0.00  0.00    +0.014 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.537  -0.863   1.495  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.178   0.325   0.809  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -4.551   0.316  -0.555  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -5.131   1.473  -1.111  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -5.336   2.617  -0.340  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.966   2.625   1.000  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.392   1.490   1.570  0.00  0.00    +0.006 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -4.356  -0.903  -1.428  0.00  0.00    +0.418 C 
ATOM     29  F   LIG    1       -5.084  -1.971  -0.996  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -3.062  -1.325  -1.466  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -4.720  -0.713  -2.728  0.00  0.00    -0.166 F 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5