REMARK  Name = BDB044606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.858  -3.187  -1.218  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.217  -2.866  -0.982  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        3.224  -3.803  -1.279  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.898  -5.029  -1.854  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        1.569  -5.330  -2.129  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.557  -4.419  -1.810  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.515  -2.356  -1.009  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -0.148  -2.260  -0.842  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        0.201  -1.475  -0.291  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.120  -3.284  -1.534  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1       -3.909   0.903   0.559  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1       -2.586   1.124   0.129  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -1.795   0.088  -0.383  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -2.308  -1.208  -0.470  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.624  -1.444  -0.064  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -4.411  -0.404   0.446  0.00  0.00    +0.005 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -4.042   2.668   2.353  0.00  0.00    +0.015 C 
ATOM     18  C   LIG    1       -4.745   2.069   1.116  0.00  0.00    -0.013 C 
ATOM     19  C   LIG    1       -6.170   1.663   1.554  0.00  0.00    +0.015 C 
ATOM     20  C   LIG    1       -4.893   3.163   0.036  0.00  0.00    +0.015 C 
ENDBRANCH  11  18
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   2  21
ATOM     21  C   LIG    1        2.595  -1.530  -0.416  0.00  0.00    +0.250 C 
ATOM     22  N   LIG    1        3.800  -1.016  -0.857  0.00  0.00    -0.279 N 
ATOM     23  H   LIG    1        4.281  -1.504  -1.606  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.807  -0.962   0.334  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.412   0.199  -0.470  0.00  0.00    +0.070 A 
ATOM     26  C   LIG    1        5.591   0.553  -1.142  0.00  0.00    +0.145 A 
ATOM     27  F   LIG    1        6.071  -0.257  -2.100  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1        6.280   1.723  -0.844  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.792   2.567   0.150  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1        4.618   2.233   0.841  0.00  0.00    +0.061 A 
ATOM     31  C   LIG    1        3.930   1.046   0.530  0.00  0.00    +0.041 A 
BRANCH  30  32
ATOM     32  C   LIG    1        4.144   3.164   1.894  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1        4.691   4.201   2.220  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        3.011   2.754   2.487  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        2.818   3.447   3.152  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  30  32
ENDBRANCH  22  25
ENDBRANCH   2  21
TORSDOF 7