REMARK  Name = LIG001812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.340  -0.145  -0.822  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -2.056   0.012  -0.316  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1       -0.763  -0.248  -0.967  0.00  0.00    +0.250 C 
ATOM      4  N   LIG    1        0.227   0.147  -0.078  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -0.322   0.554   1.208  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -0.614  -0.697  -2.089  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.793   0.509   0.964  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1       -2.832   0.853   1.808  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.138   0.677   1.344  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.387   0.168   0.053  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        1.634  -0.171  -0.290  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        2.071  -1.436   0.468  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        1.301  -2.220   1.018  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        3.430  -1.651   0.514  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        3.708  -2.476   1.030  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.395  -0.681   0.425  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.529  -0.874   0.855  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.993   0.613  -0.242  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        2.556   0.981   0.096  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  N   LIG    1       -3.602  -0.779  -2.038  0.00  0.00    -0.357 N 
ATOM     21  H   LIG    1       -2.791  -0.797  -2.662  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -4.458  -0.495  -2.500  0.00  0.00    +0.142 HD
ENDBRANCH   1  20
TORSDOF 2