REMARK  Name = BDB028237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.526   0.556  -0.144  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.407  -0.084   0.593  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.655  -0.492   1.900  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.648  -1.098   2.656  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.384  -1.296   2.096  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.107  -0.897   0.778  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.990  -0.277   2.480  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -5.251  -0.622   3.627  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.913   0.327   1.662  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.840   0.484   2.046  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -2.136  -0.287   0.034  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -5.704   0.740   0.383  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.225  -1.104   0.194  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.384  -0.622   0.816  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.631  -0.814   0.223  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.691  -1.523  -0.969  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        1.602  -2.014  -1.604  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        0.405  -1.791  -1.010  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.731  -0.343   0.898  0.00  0.00    -0.452 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.716   0.249   0.143  0.00  0.00    +0.164 A 
ATOM     21  C   LIG    1        4.476   1.359  -0.669  0.00  0.00    +0.165 A 
ATOM     22  F   LIG    1        3.247   1.885  -0.762  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1        5.513   1.944  -1.389  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        6.805   1.427  -1.285  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        7.055   0.333  -0.454  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.012  -0.253   0.268  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -4.280   1.019  -1.584  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -5.490   1.617  -2.160  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -6.246   0.934  -2.068  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -5.788   2.371  -1.535  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5