REMARK  Name = LIG000977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.325  -1.536   2.095  0.00  0.00    +0.128 C 
ATOM      2  N   LIG    1        0.303  -0.897   0.933  0.00  0.00    -0.222 NA
ATOM      3  N   LIG    1       -0.477   0.170   0.328  0.00  0.00    -0.218 N 
ATOM      4  C   LIG    1        0.135   0.892  -0.723  0.00  0.00    +0.261 C 
ATOM      5  O   LIG    1       -0.498   1.558  -1.542  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1        1.619   0.849  -0.814  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        2.372   0.247   0.207  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.777   0.308   0.156  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.389   0.831  -0.994  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        3.636   1.404  -2.018  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        2.250   1.431  -1.920  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        1.628  -0.384   1.352  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.951   0.095   0.296  0.00  0.00    +0.180 C 
ATOM     14  C   LIG    1       -2.569   1.500   0.408  0.00  0.00    +0.241 C 
ATOM     15  O   LIG    1       -2.114   2.387   1.130  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.766   1.689  -0.247  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.171   2.610  -0.157  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.561   0.737  -0.831  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.697   1.006  -1.211  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -4.011  -0.668  -0.882  0.00  0.00    +0.098 C 
ATOM     21  C   LIG    1       -2.492  -0.671  -0.913  0.00  0.00    +0.043 C 
ENDBRANCH   3  13
BRANCH   8  22
ATOM     22  N   LIG    1        4.588  -0.315   1.117  0.00  0.00    -0.358 N 
ATOM     23  H   LIG    1        4.207  -0.317   2.057  0.00  0.00    +0.142 HD
ATOM     24  H   LIG    1        5.551   0.010   1.110  0.00  0.00    +0.142 HD
ENDBRANCH   8  22
TORSDOF 2