REMARK  Name = LIG000397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.033   0.828  -0.534  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.182   0.170   0.675  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        5.207  -0.082   1.275  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.839  -0.226   1.111  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.936   0.134   0.117  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        0.583  -0.133   0.267  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.128  -0.770   1.443  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.087  -1.131   2.428  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.451  -0.862   2.272  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        2.662   0.764  -1.023  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.306  -1.076   1.653  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -1.553  -2.247   2.284  0.00  0.00    -0.244 NA
ATOM     13  C   LIG    1       -2.858  -2.550   2.460  0.00  0.00    +0.109 A 
ATOM     14  C   LIG    1       -3.902  -1.735   2.050  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -5.038  -2.411   2.409  0.00  0.00    -0.275 N 
ATOM     16  H   LIG    1       -6.000  -2.126   2.267  0.00  0.00    +0.189 HD
ATOM     17  N   LIG    1       -4.814  -3.589   3.022  0.00  0.00    -0.180 NA
ATOM     18  C   LIG    1       -3.678  -0.510   1.414  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -3.478  -3.670   3.049  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1       -2.317  -0.205   1.227  0.00  0.00    +0.035 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.755   0.432   0.941  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.736   0.617  -0.511  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -5.677   1.651  -0.944  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -5.755   1.432  -2.447  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -5.423  -0.042  -2.651  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -5.125  -0.581  -1.259  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1        9.082   0.321  -0.499  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        7.910   0.615  -0.725  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1        7.169  -0.121  -1.611  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        7.632  -0.935  -1.991  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        5.857   0.043  -1.973  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1        5.296  -0.784  -2.692  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1        5.122   1.257  -1.404  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        6.054   2.319  -0.826  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1        7.227   1.768  -0.035  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 4