REMARK  Name = LIG000995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.043  -2.102   0.157  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1        1.238  -1.662   0.689  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        2.306  -0.834   0.127  0.00  0.00    +0.258 C 
ATOM      4  N   LIG    1        3.270  -0.725   1.093  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        2.887  -1.337   2.255  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        3.468  -1.384   3.322  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        2.291  -0.324  -0.977  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        1.594  -1.962   1.992  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        0.793  -2.720   2.826  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.411  -3.192   2.299  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -0.782  -2.892   0.973  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        4.434   0.145   1.012  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        3.985   1.602   1.164  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        2.942   1.943   1.720  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        4.869   2.550   0.696  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        4.583   3.513   0.808  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        6.029   2.346  -0.009  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.704   3.292  -0.403  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        6.458   0.910  -0.208  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        5.258  -0.024  -0.263  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  O   LIG    1       -0.266  -1.821  -1.148  0.00  0.00    -0.455 OA
BRANCH  21  24
ATOM     22  C   LIG    1       -3.254   0.374  -1.015  0.00  0.00    -0.037 A 
ATOM     23  C   LIG    1       -1.990  -0.168  -0.719  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1       -1.520  -1.303  -1.385  0.00  0.00    +0.130 A 
ATOM     25  C   LIG    1       -2.286  -1.909  -2.377  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -3.566  -1.436  -2.654  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -4.017  -0.277  -2.005  0.00  0.00    +0.027 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -2.778   2.810  -0.588  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -3.739   1.640  -0.287  0.00  0.00    -0.012 C 
ATOM     30  C   LIG    1       -5.158   2.094  -0.698  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -3.767   1.385   1.236  0.00  0.00    +0.015 C 
ENDBRANCH  22  29
BRANCH  26  32
ATOM     32  N   LIG    1       -4.301  -1.974  -3.719  0.00  0.00    -0.358 N 
ATOM     33  H   LIG    1       -5.300  -1.806  -3.660  0.00  0.00    +0.142 HD
ATOM     34  H   LIG    1       -4.080  -2.943  -3.927  0.00  0.00    +0.142 HD
ENDBRANCH  26  32
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5