REMARK  Name = LIG000861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.153  -0.112   0.367  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.778  -1.036   0.761  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.611  -2.095   1.334  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.083  -0.513   0.366  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1        1.871   0.689  -0.284  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        2.913   1.439  -0.791  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.204   0.931  -0.616  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        4.409  -0.293   0.046  0.00  0.00    +0.118 A 
ATOM      9  C   LIG    1        3.347  -1.041   0.550  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        0.429   0.928  -0.308  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -0.098   1.876  -0.857  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.549   0.015  -0.644  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.371  -0.072  -0.310  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.457  -0.722  -1.101  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.803  -1.061  -1.989  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.100  -0.848  -0.897  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.390  -1.386  -1.745  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.585  -0.352   0.458  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -2.396   0.856   0.919  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.865   0.467   1.009  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  O   LIG    1        5.697  -0.723   0.175  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        5.705  -1.587   0.620  0.00  0.00    +0.292 HD
ENDBRANCH   8  21
TORSDOF 2