REMARK  Name = LIG000812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.980  -0.449  -1.422  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -0.284  -0.545  -0.850  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -1.037   0.445  -0.022  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -2.247  -0.283   0.335  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -2.324  -1.505  -0.306  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.254  -2.286  -0.334  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -1.055  -1.695  -1.017  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -0.629  -2.788  -1.746  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.637  -2.714  -2.324  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.430  -1.561  -2.161  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.343   0.380   1.033  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.440   0.771   0.043  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.234   1.547  -0.891  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.668   0.182   0.204  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.373   0.445  -0.470  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -6.024  -0.825   1.061  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.163  -1.288   1.038  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -4.967  -1.350   1.998  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -3.868  -0.340   2.274  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  22
ATOM     20  C   LIG    1        3.785   1.835  -0.327  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        2.987   0.700  -0.487  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        1.817   0.744  -1.267  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        1.467   1.951  -1.890  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        2.260   3.087  -1.734  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.413   3.026  -0.953  0.00  0.00    +0.045 A 
BRANCH  20  26
ATOM     26  O   LIG    1        4.937   1.914   0.407  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1        6.676   1.038   1.779  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        5.385   0.720   1.048  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH   1  22
TORSDOF 4