REMARK  Name = LIG001312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.141   2.892  -0.427  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.778   1.546  -0.171  0.00  0.00    +0.111 A 
ATOM      3  N   LIG    1       -0.021   0.419  -0.098  0.00  0.00    -0.284 N 
ATOM      4  C   LIG    1        0.539  -0.813   0.252  0.00  0.00    +0.262 A 
ATOM      5  O   LIG    1       -0.120  -1.826   0.477  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.004  -0.872   0.369  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        2.708   0.314   0.203  0.00  0.00    +0.078 A 
ATOM      8  C   LIG    1        4.101   0.290   0.303  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        4.775  -0.906   0.567  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.057  -2.090   0.734  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        2.666  -2.076   0.637  0.00  0.00    +0.015 A 
ATOM     12  N   LIG    1        2.067   1.530  -0.047  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.488   0.466  -0.238  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1       -2.158   0.273   1.128  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -1.673   0.689   2.180  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -3.415  -0.286   1.112  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -3.861  -0.393   2.014  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -4.193  -0.580   0.021  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -5.361  -0.933   0.152  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -3.571  -0.349  -1.337  0.00  0.00    +0.099 C 
ATOM     21  C   LIG    1       -2.058  -0.495  -1.288  0.00  0.00    +0.044 C 
ENDBRANCH   3  13
TORSDOF 1