REMARK  Name = LIG000842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.157  -0.119   0.466  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.916  -0.486  -0.378  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -2.220  -0.340   0.068  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.504  -0.652  -0.628  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.498  -0.302   0.380  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.925   0.219   1.529  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.487   0.679   2.503  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.472   0.161   1.340  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.465   0.529   2.207  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.146   0.381   1.761  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        3.647  -2.476  -2.073  0.00  0.00    +0.164 A 
ATOM     12  C   LIG    1        3.046  -1.492  -1.238  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        4.068  -0.618  -0.919  0.00  0.00    +0.090 A 
ATOM     14  C   LIG    1        3.880   0.502  -0.105  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        2.555   0.655   0.339  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        1.555  -0.270  -0.002  0.00  0.00    +0.072 A 
ATOM     17  N   LIG    1        5.172  -1.122  -1.555  0.00  0.00    -0.273 N 
ATOM     18  H   LIG    1        6.111  -0.736  -1.522  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1        1.774  -1.349  -0.790  0.00  0.00    -0.242 NA
ATOM     20  N   LIG    1        4.949  -2.254  -2.251  0.00  0.00    -0.156 NA
BRANCH  11  21
ATOM     21  N   LIG    1        2.991  -3.522  -2.606  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        3.563  -4.300  -2.913  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        2.113  -3.795  -2.178  0.00  0.00    +0.144 HD
ENDBRANCH  11  21
BRANCH  14  24
ATOM     24  C   LIG    1        4.942   1.524   0.229  0.00  0.00    +0.121 C 
BRANCH  24  25
ATOM     25  N   LIG    1        6.307   0.963   0.191  0.00  0.00    -0.298 NA
ATOM     26  C   LIG    1        7.303   2.009   0.529  0.00  0.00    +0.086 C 
ATOM     27  C   LIG    1        7.281   1.548   1.992  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1        6.628   0.265   1.461  0.00  0.00    +0.086 C 
ENDBRANCH  24  25
ENDBRANCH  14  24
ENDBRANCH   1  16
BRANCH   5  29
ATOM     29  C   LIG    1       -5.933  -0.230   0.121  0.00  0.00    +0.163 C 
ATOM     30  C   LIG    1       -6.492  -1.359  -0.760  0.00  0.00    +0.240 C 
ATOM     31  O   LIG    1       -5.927  -2.434  -0.951  0.00  0.00    -0.273 OA
ATOM     32  N   LIG    1       -7.726  -1.124  -1.322  0.00  0.00    -0.255 N 
ATOM     33  H   LIG    1       -8.089  -1.869  -1.901  0.00  0.00    +0.158 HD
ATOM     34  C   LIG    1       -8.370   0.081  -1.442  0.00  0.00    +0.219 C 
ATOM     35  O   LIG    1       -9.363   0.199  -2.154  0.00  0.00    -0.275 OA
ATOM     36  C   LIG    1       -7.816   1.225  -0.628  0.00  0.00    +0.098 C 
ATOM     37  C   LIG    1       -6.306   1.122  -0.490  0.00  0.00    +0.041 C 
ENDBRANCH   5  29
TORSDOF 5