REMARK  Name = LIG000171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.234  -0.289   0.696  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.691  -1.325   1.442  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.173  -1.886   2.407  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.385  -1.636   0.850  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.215  -0.828  -0.272  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        1.058  -0.918  -1.028  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        0.071  -1.843  -0.639  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        0.268  -2.648   0.509  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        1.438  -2.551   1.265  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.419   0.032  -0.469  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.211   1.695  -0.440  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.187   1.205   0.025  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.818  -0.082  -0.274  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.406  -0.538  -0.960  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.543  -0.591  -0.183  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.199  -1.532  -0.894  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.629   0.110   0.836  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.819   1.619   0.715  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.279   1.966   0.962  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  C   LIG    1       -1.216  -1.952  -1.417  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.260  -1.179  -0.785  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -1.988  -0.552  -0.043  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -3.527  -1.174  -1.308  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -3.831  -1.829  -2.300  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1       -4.519  -0.312  -0.603  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -4.248   0.203   0.777  0.00  0.00    +0.269 C 
ATOM     27  O   LIG    1       -5.356   0.773   1.493  0.00  0.00    -0.487 OA
ATOM     28  C   LIG    1       -6.445   1.157   0.764  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1       -6.648   0.790  -0.570  0.00  0.00    +0.018 A 
ATOM     30  C   LIG    1       -7.808   1.208  -1.232  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1       -8.749   1.987  -0.558  0.00  0.00    +0.019 A 
ATOM     32  C   LIG    1       -8.550   2.349   0.774  0.00  0.00    +0.019 A 
ATOM     33 BR   LIG    1      -10.313   2.554  -1.456  0.00  0.00    -0.050 Br
ATOM     34  C   LIG    1       -7.396   1.928   1.436  0.00  0.00    +0.047 A 
ATOM     35  C   LIG    1       -5.665  -0.044  -1.245  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 4