REMARK  Name = BDB051617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.193  -0.098   0.464  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.878   1.134  -0.122  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.437   1.439  -0.497  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1        1.459   0.507  -0.289  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        1.144  -0.728   0.296  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -0.173  -1.025   0.669  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.808   0.786  -0.659  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        3.787  -0.140  -0.449  0.00  0.00    -0.166 NA
ATOM      9  C   LIG    1        4.931   0.414  -0.898  0.00  0.00    +0.105 A 
ATOM     10  C   LIG    1        4.637   1.730  -1.400  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        5.525   2.646  -1.953  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        6.837   2.133  -1.981  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.191   0.835  -1.498  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.255  -0.074  -0.939  0.00  0.00    +0.064 A 
ATOM     15  C   LIG    1        3.298   1.938  -1.237  0.00  0.00    +0.123 A 
BRANCH  14  16
ATOM     16  C   LIG    1        6.673  -1.401  -0.455  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        7.842  -1.761  -0.521  0.00  0.00    -0.270 OA
ATOM     18  N   LIG    1        5.708  -2.210   0.067  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        4.738  -1.906   0.120  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        5.963  -3.126   0.407  0.00  0.00    +0.145 HD
ENDBRANCH  14  16
ENDBRANCH   4   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.094  -1.413   1.445  0.00  0.00    +0.234 C 
ATOM     22  N   LIG    1       -2.534  -0.322   0.806  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -3.208   0.424   0.638  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -2.506  -2.419   1.833  0.00  0.00    -0.274 OA
BRANCH  21  27
ATOM     25  C   LIG    1       -5.087   0.736   2.864  0.00  0.00    +0.105 C 
ATOM     26  N   LIG    1       -5.050   0.139   1.531  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.625  -1.292   1.573  0.00  0.00    +0.143 C 
ATOM     28  C   LIG    1       -5.319  -1.937   0.370  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -6.167  -0.833  -0.245  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1       -6.371   0.139   0.899  0.00  0.00    +0.085 C 
ENDBRANCH  21  27
ENDBRANCH   1  22
TORSDOF 4