REMARK  Name = LIG000043
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.823  -0.144   0.501  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.682   0.553   0.066  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        0.539  -0.102   0.110  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        1.897   0.386  -0.274  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        2.730  -0.790  -0.060  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        2.022  -1.837   0.511  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        2.449  -2.907   0.898  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.619  -1.415   0.573  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -0.486  -2.128   0.997  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.723  -1.480   0.951  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -6.679  -0.029  -0.231  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1       -5.415   0.400   0.100  0.00  0.00    +0.177 A 
ATOM     13  N   LIG    1       -5.564   1.742   0.461  0.00  0.00    -0.220 N 
ATOM     14  C   LIG    1       -4.459   2.488   0.854  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1       -3.239   1.932   0.885  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1       -3.172   0.489   0.472  0.00  0.00    +0.075 A 
ATOM     17  N   LIG    1       -6.856   2.158   0.381  0.00  0.00    -0.171 NA
ATOM     18  N   LIG    1       -4.199  -0.234   0.120  0.00  0.00    -0.226 NA
ATOM     19  C   LIG    1       -7.519   1.078  -0.042  0.00  0.00    +0.159 A 
BRANCH  11  20
ATOM     20  N   LIG    1       -6.998  -1.270  -0.645  0.00  0.00    -0.354 N 
ATOM     21  H   LIG    1       -7.951  -1.615  -0.619  0.00  0.00    +0.142 HD
ATOM     22  H   LIG    1       -6.293  -2.000  -0.567  0.00  0.00    +0.142 HD
ENDBRANCH  11  20
ENDBRANCH   1  16
BRANCH   5  23
ATOM     23  C   LIG    1        4.188  -0.752  -0.051  0.00  0.00    +0.163 C 
ATOM     24  C   LIG    1        4.742   0.046   1.142  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1        4.065   0.439   2.090  0.00  0.00    -0.273 OA
ATOM     26  N   LIG    1        6.088   0.326   1.084  0.00  0.00    -0.255 N 
ATOM     27  H   LIG    1        6.438   0.868   1.863  0.00  0.00    +0.158 HD
ATOM     28  C   LIG    1        6.825   0.448  -0.066  0.00  0.00    +0.219 C 
ATOM     29  O   LIG    1        7.874   1.084  -0.082  0.00  0.00    -0.275 OA
ATOM     30  C   LIG    1        6.284  -0.252  -1.292  0.00  0.00    +0.098 C 
ATOM     31  C   LIG    1        4.766  -0.177  -1.341  0.00  0.00    +0.041 C 
ENDBRANCH   5  23
TORSDOF 3