REMARK  Name = LIG000489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.458   0.740  -0.763  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.049  -0.562  -0.671  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.268  -1.368   0.214  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.307  -0.862  -1.896  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -0.391   0.256  -2.708  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.206   0.310  -3.951  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.919  -0.819  -4.362  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.025  -1.950  -3.525  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.408  -1.992  -2.264  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -1.151   1.273  -1.984  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -1.414   2.376  -2.425  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.899   1.656   3.411  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.107   1.575   2.476  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -4.493   1.062   1.263  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.440   0.710   1.211  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -3.720   0.868   0.140  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.200   0.345  -0.864  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -2.292   1.418   0.215  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -1.760   1.330   1.644  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -2.691   2.092   2.573  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        0.591  -3.089  -1.401  0.00  0.00    -0.336 N 
ATOM     22  H   LIG    1       -0.070  -3.013  -0.615  0.00  0.00    +0.147 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.951  -3.173  -0.835  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.334  -2.027   0.042  0.00  0.00    +0.123 A 
ATOM     25  O   LIG    1        1.718  -1.964   1.257  0.00  0.00    -0.458 OA
ATOM     26  C   LIG    1        2.132  -0.815   1.856  0.00  0.00    +0.135 A 
ATOM     27  C   LIG    1        3.030  -0.140   1.038  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        3.561   1.081   1.490  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        3.163   1.565   2.745  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        2.256   0.855   3.537  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        1.717  -0.361   3.105  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        3.163  -0.937  -0.130  0.00  0.00    +0.054 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 4