REMARK  Name = BDB017839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.716   0.158   0.829  0.00  0.00    +0.001 C 
ATOM      2  C   LIG    1        1.027  -1.221   0.658  0.00  0.00    +0.057 C 
ATOM      3  C   LIG    1       -0.442  -1.002   0.555  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -1.060   0.168   0.170  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.311   1.335  -0.196  0.00  0.00    +0.071 A 
ATOM      6  N   LIG    1       -0.814   2.477  -0.539  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -2.128   2.821  -0.615  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -2.255   3.788  -0.904  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1       -3.349   2.202  -0.437  0.00  0.00    +0.272 A 
ATOM     10  C   LIG    1       -3.530   0.800  -0.025  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.824   0.268   0.131  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -5.019  -1.055   0.533  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -3.933  -1.893   0.797  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -2.653  -1.353   0.639  0.00  0.00    +0.048 A 
ATOM     15  O   LIG    1       -4.364   2.878  -0.635  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.442  -0.032   0.231  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1       -1.411  -1.926   0.829  0.00  0.00    -0.357 N 
ATOM     18  H   LIG    1       -1.256  -2.878   1.132  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1        1.213   1.174  -0.226  0.00  0.00    +0.061 C 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        3.252   0.050   0.869  0.00  0.00    +0.004 C 
BRANCH  20  22
ATOM     21  C   LIG    1        5.427  -0.502  -0.275  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        3.914  -0.428  -0.426  0.00  0.00    -0.003 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 2