REMARK  Name = LIG000388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.275   0.490   1.057  0.00  0.00    +0.031 A 
ATOM      2  C   LIG    1       -0.060   0.831   0.429  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        1.078   0.099   0.719  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.441   0.233   0.215  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        3.186  -0.736   0.827  0.00  0.00    -0.222 N 
ATOM      6  C   LIG    1        2.424  -1.482   1.686  0.00  0.00    +0.254 C 
ATOM      7  O   LIG    1        2.760  -2.398   2.411  0.00  0.00    -0.270 OA
ATOM      8  O   LIG    1        2.788   1.052  -0.613  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.067  -0.947   1.614  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -0.082  -1.312   2.275  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -1.246  -0.580   1.992  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  17
ATOM     12  C   LIG    1       -6.086  -0.563  -2.436  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -5.927  -0.548  -0.937  0.00  0.00    +0.213 C 
ATOM     14  N   LIG    1       -4.803   0.088  -0.424  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1       -3.615   0.398  -1.237  0.00  0.00    +0.126 C 
ATOM     16  C   LIG    1       -2.749   1.521  -0.630  0.00  0.00    +0.124 C 
ATOM     17  N   LIG    1       -2.427   1.231   0.788  0.00  0.00    -0.327 N 
ATOM     18  C   LIG    1       -3.658   1.058   1.592  0.00  0.00    +0.124 C 
ATOM     19  C   LIG    1       -4.560  -0.050   1.019  0.00  0.00    +0.126 C 
ATOM     20  O   LIG    1       -6.780  -1.069  -0.218  0.00  0.00    -0.276 OA
ENDBRANCH   1  17
BRANCH   5  21
ATOM     21  C   LIG    1        4.604  -0.979   0.600  0.00  0.00    +0.171 C 
ATOM     22  C   LIG    1        4.827  -1.314  -0.874  0.00  0.00    +0.240 C 
ATOM     23  O   LIG    1        4.200  -2.198  -1.457  0.00  0.00    -0.273 OA
ATOM     24  N   LIG    1        5.739  -0.545  -1.552  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1        5.861  -0.782  -2.527  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1        6.149   0.722  -1.227  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1        6.735   1.420  -2.050  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        5.794   1.230   0.149  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1        5.539   0.104   1.133  0.00  0.00    +0.041 C 
ENDBRANCH   5  21
TORSDOF 2