REMARK  Name = LIG001250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.012  -0.098  -0.326  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.559  -1.312   0.169  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.208  -2.281   0.512  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.096  -1.226   0.230  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.722   0.059  -0.148  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1       -0.384   0.423  -0.179  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        0.579  -0.530   0.180  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        0.172  -1.830   0.564  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.179  -2.189   0.593  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.933   0.874  -0.451  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -9.410   0.275   0.709  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -8.222   0.217   0.405  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -7.245   0.561   1.304  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -7.564   0.828   2.226  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -5.891   0.675   1.082  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.156   1.137   1.953  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -5.410   0.317  -0.333  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -6.350  -0.701  -0.979  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -7.765  -0.144  -0.989  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  N   LIG    1        1.967  -0.274   0.181  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        2.556  -1.043   0.476  0.00  0.00    +0.155 HD
ATOM     22  C   LIG    1        2.599   0.916  -0.115  0.00  0.00    +0.248 C 
ATOM     23  O   LIG    1        2.076   1.991  -0.379  0.00  0.00    -0.270 OA
BRANCH  22  24
ATOM     24  C   LIG    1        4.081   0.836  -0.025  0.00  0.00    +0.052 C 
ATOM     25  C   LIG    1        4.755   2.001   0.631  0.00  0.00    +0.269 C 
ATOM     26  O   LIG    1        6.088   1.734   1.101  0.00  0.00    -0.486 OA
ATOM     27  C   LIG    1        6.830   0.843   0.368  0.00  0.00    +0.142 A 
ATOM     28  C   LIG    1        6.228  -0.116  -0.461  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        7.025  -1.030  -1.158  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        8.413  -0.985  -1.023  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        9.019  -0.044  -0.194  0.00  0.00    +0.034 A 
ATOM     32 BR   LIG    1        9.483  -2.223  -1.971  0.00  0.00    -0.050 Br
ATOM     33  C   LIG    1        8.224   0.866   0.506  0.00  0.00    +0.061 A 
ATOM     34 BR   LIG    1        9.088   2.127   1.631  0.00  0.00    -0.046 Br
ATOM     35  C   LIG    1        4.774  -0.175  -0.567  0.00  0.00    +0.023 C 
ENDBRANCH  22  24
ENDBRANCH   7  20
TORSDOF 3