REMARK  Name = LIG000837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.435  -0.401  -0.751  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.878  -0.420  -2.022  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.427  -0.187  -3.082  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.465  -0.777  -1.860  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.199  -0.885  -0.496  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -0.075  -1.205  -0.056  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -1.082  -1.410  -1.015  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.782  -1.317  -2.393  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.504  -0.988  -2.829  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.435  -0.605   0.290  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1        5.906   3.562   0.786  0.00  0.00    +0.141 C 
ATOM     12  N   LIG    1        5.893   2.147   0.462  0.00  0.00    -0.244 N 
ATOM     13  C   LIG    1        4.698   1.631  -0.052  0.00  0.00    +0.242 C 
ATOM     14  O   LIG    1        3.669   2.304  -0.140  0.00  0.00    -0.273 OA
ATOM     15  C   LIG    1        4.759   0.158  -0.495  0.00  0.00    +0.164 C 
ATOM     16  C   LIG    1        5.528  -0.642   0.543  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1        6.938  -0.093   0.619  0.00  0.00    +0.099 C 
ATOM     18  C   LIG    1        6.953   1.383   0.948  0.00  0.00    +0.222 C 
ATOM     19  O   LIG    1        7.884   1.857   1.598  0.00  0.00    -0.275 OA
ENDBRANCH   1  15
BRANCH   7  20
ATOM     20  C   LIG    1       -2.436  -1.741  -0.611  0.00  0.00    +0.112 A 
ATOM     21  C   LIG    1       -3.225  -1.036   0.290  0.00  0.00    +0.131 A 
ATOM     22  N   LIG    1       -4.377  -1.803   0.406  0.00  0.00    -0.288 N 
ATOM     23  C   LIG    1       -4.273  -2.829  -0.531  0.00  0.00    +0.140 A 
ATOM     24  C   LIG    1       -5.373  -3.729  -0.640  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -6.436  -3.591   0.176  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -6.492  -2.538   1.178  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1       -5.468  -1.673   1.269  0.00  0.00    +0.094 A 
ATOM     28  N   LIG    1       -3.117  -2.803  -1.158  0.00  0.00    -0.226 NA
BRANCH  21  29
ATOM     29  N   LIG    1       -3.020   0.106   1.033  0.00  0.00    -0.324 N 
ATOM     30  H   LIG    1       -2.040   0.214   1.301  0.00  0.00    +0.148 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -3.437   1.427   0.477  0.00  0.00    +0.025 C 
ATOM     32  C   LIG    1       -2.537   1.826  -0.703  0.00  0.00    +0.031 C 
ATOM     33  C   LIG    1       -4.908   1.455   0.040  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1       -3.249   2.455   1.610  0.00  0.00    +0.031 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH   7  20
TORSDOF 4