REMARK  Name = LIG001964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.934   0.263  -0.208  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -0.574   0.144  -0.136  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.179   0.410   0.784  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.119  -0.369  -1.426  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.237  -0.499  -2.232  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -1.155  -0.961  -3.529  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.116  -1.300  -3.999  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.259  -1.166  -3.177  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        1.156  -0.689  -1.865  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.395  -0.066  -1.455  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -3.534  -0.029  -1.880  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -3.593   3.230   4.099  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.362   2.517   3.127  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -2.986   3.059   1.923  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -2.852   4.062   1.917  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.567   2.391   0.795  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.102   3.010  -0.160  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.779   0.874   0.807  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -2.563   0.327   2.215  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.525   1.015   3.172  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        2.244  -0.515  -0.987  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        2.018  -0.133  -0.068  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        3.569  -0.790  -1.228  0.00  0.00    +0.220 C 
ATOM     24  O   LIG    1        4.064  -1.235  -2.252  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.452  -0.459  -0.075  0.00  0.00    +0.075 C 
ATOM     26  C   LIG    1        4.185  -1.012   1.306  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1        5.346  -1.528   0.509  0.00  0.00    +0.013 C 
ENDBRANCH  23  25
ENDBRANCH   9  21
TORSDOF 3