REMARK  Name = BDB051100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.859   1.857   0.453  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.146   2.619  -0.675  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -2.413   2.894  -1.017  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.116   3.103  -1.475  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.212   2.835  -1.135  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.517   2.094   0.018  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.469   1.607   0.814  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.986  -0.968  -0.437  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1       -3.563  -1.472  -0.655  0.00  0.00    +0.050 C 
ATOM     10  C   LIG    1       -2.568  -0.342  -0.426  0.00  0.00    +0.110 C 
ATOM     11  N   LIG    1       -2.822   0.401   0.811  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -1.937   1.353   1.320  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -1.975   1.780   2.471  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -3.851  -0.126   1.699  0.00  0.00    +0.110 C 
ATOM     15  C   LIG    1       -5.168  -0.379   0.970  0.00  0.00    +0.050 C 
BRANCH   8  17
ATOM     16  C   LIG    1       -7.220  -1.659  -0.886  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1       -5.877  -2.068  -0.653  0.00  0.00    -0.380 OA
ENDBRANCH   8  17
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  C   LIG    1        2.953   1.794   0.383  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.501   0.481  -0.168  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        4.891   0.094   0.192  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        5.375  -1.108  -0.319  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        6.674  -1.538  -0.023  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        7.493  -0.758   0.791  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.016   0.447   1.306  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.505  -1.924  -1.180  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1        4.888  -2.987  -1.654  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        3.250  -1.421  -1.417  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        2.635  -1.969  -2.010  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1        5.718   0.876   1.009  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        2.748  -0.255  -0.934  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 4