REMARK  Name = LIG000331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.072   0.292  -1.241  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1       -2.022  -0.034  -0.357  0.00  0.00    +0.089 A 
ATOM      3  C   LIG    1       -2.269  -0.566   0.903  0.00  0.00    +0.102 A 
ATOM      4  N   LIG    1       -1.255  -0.901   1.807  0.00  0.00    -0.131 NA
ATOM      5  N   LIG    1       -0.061  -0.709   1.506  0.00  0.00    -0.061 NA
ATOM      6  N   LIG    1        0.302  -0.264   0.268  0.00  0.00    -0.198 N 
ATOM      7  C   LIG    1       -3.596  -0.767   1.302  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -4.653  -0.428   0.458  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.605   0.109  -0.710  0.00  0.00    +0.280 A 
ATOM     10  O   LIG    1       -0.272   0.499  -1.829  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1       -4.388   0.116  -0.798  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        1.727  -0.021   0.050  0.00  0.00    +0.199 C 
ATOM     13  C   LIG    1        2.123   1.328   0.662  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        1.337   2.240   0.907  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        3.471   1.505   0.887  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.733   2.399   1.282  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        4.461   0.555   0.854  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        5.605   0.818   1.211  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.076  -0.801   0.310  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1        2.622  -1.124   0.617  0.00  0.00    +0.046 C 
ENDBRANCH   6  12
BRANCH   1  21
ATOM     21  N   LIG    1       -2.863   0.977  -2.449  0.00  0.00    -0.357 N 
ATOM     22  H   LIG    1       -1.895   0.907  -2.781  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -3.547   0.798  -3.176  0.00  0.00    +0.142 HD
ENDBRANCH   1  21
TORSDOF 2