REMARK  Name = LIG000967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.942   0.440  -0.812  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -1.617   0.225  -0.466  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.453   1.111  -0.558  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        0.615   0.414  -0.061  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        0.270  -0.871   0.253  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        0.991  -1.780   0.617  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -0.474   2.238  -1.017  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.167  -0.990   0.025  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.012  -2.063   0.224  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.361  -1.867  -0.073  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.820  -0.625  -0.566  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        1.978   0.908  -0.111  0.00  0.00    +0.179 C 
ATOM     13  C   LIG    1        2.722   0.233  -1.248  0.00  0.00    +0.241 C 
ATOM     14  O   LIG    1        2.304   0.037  -2.378  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.945  -0.138  -0.793  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        4.616  -0.636  -1.357  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.077   0.002   0.549  0.00  0.00    +0.222 C 
ATOM     18  O   LIG    1        5.054  -0.339   1.195  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        2.841   0.638   1.117  0.00  0.00    +0.128 C 
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1       -3.434   1.697  -1.164  0.00  0.00    -0.357 N 
ATOM     21  H   LIG    1       -2.717   2.331  -1.524  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -4.271   1.689  -1.738  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
TORSDOF 2