REMARK  Name = BDB059688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.358   0.343   0.029  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.456   1.306  -0.799  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1        0.000   2.308  -1.336  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1        1.813   0.966  -0.917  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1        2.396  -0.146  -0.342  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1        3.723  -0.117  -0.692  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1        3.862   1.041  -1.477  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1        1.615  -0.975   0.389  0.00  0.00    -0.342 N 
ATOM      9  H   LIG    1        1.990  -1.812   0.838  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1        2.713   1.708  -1.623  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1        0.258  -0.736   0.573  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -0.465  -1.775   1.397  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        4.729  -1.055  -0.335  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        5.539  -1.829  -0.035  0.00  0.00    -0.191 NA
ENDBRANCH   6  13
BRANCH   1  15
ATOM     15  C   LIG    1       -1.809   0.722   0.194  0.00  0.00    +0.042 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -4.126   0.597  -0.791  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -2.665   0.212  -0.968  0.00  0.00    +0.001 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 3