REMARK  Name = BDB008863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.233   2.251   0.677  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.895   2.317  -0.146  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        2.165   2.035   0.375  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        2.282   1.690   1.730  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.154   1.642   2.554  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.106   1.929   2.031  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.683   3.677  -0.446  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.554   2.583   0.100  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1       -2.581   1.652   0.197  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -2.396   0.235   0.539  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -3.385  -0.696  -0.190  0.00  0.00    +0.124 C 
ATOM     12  N   LIG    1       -4.780  -0.289   0.041  0.00  0.00    -0.327 N 
ATOM     13  C   LIG    1       -5.037   1.153   0.230  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -3.896   2.021  -0.328  0.00  0.00    +0.127 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -5.834  -1.178  -0.118  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -7.110  -0.905   0.411  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -8.179  -1.796   0.265  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1       -7.987  -2.985  -0.418  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1       -9.005  -3.842  -0.559  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -6.748  -3.297  -0.951  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -5.684  -2.400  -0.798  0.00  0.00    +0.026 A 
ENDBRANCH  12  15
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        3.381   2.082  -0.523  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.744   0.705  -1.074  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        4.944  -0.019  -0.544  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        5.903   0.655   0.395  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1        7.215  -0.113   0.589  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.966  -1.608   0.730  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        6.254  -2.159  -0.506  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        5.125  -1.281  -0.971  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        4.201  -1.867  -1.975  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        4.329  -3.018  -2.378  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        3.218  -1.036  -2.439  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        2.579  -1.414  -3.130  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        2.953   0.216  -1.984  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 4