REMARK  Name = LIG000085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.123   1.996   1.707  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.222   1.156   1.654  0.00  0.00    -0.003 A 
ATOM      3  C   LIG    1       -1.728   0.307   0.537  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -2.860  -0.380   1.147  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -3.126   0.087   2.425  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -4.056  -0.207   3.151  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.054   1.028   2.765  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.837   1.706   3.950  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.725   2.547   4.013  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.125   2.692   2.899  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.838  -1.148   0.385  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -4.681  -0.259  -0.545  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.713   0.969  -0.495  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -5.430  -0.935  -1.484  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.967  -0.341  -2.102  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.163  -2.188  -1.977  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -5.641  -2.566  -3.042  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -4.274  -3.071  -1.132  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -3.191  -2.257  -0.439  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1        1.456   2.278  -0.377  0.00  0.00    -0.056 C 
ATOM     21  C   LIG    1        0.740   2.156   0.580  0.00  0.00    -0.063 C 
BRANCH  20  22
ATOM     22  C   LIG    1        2.330   2.417  -1.547  0.00  0.00    +0.318 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.711   1.137  -2.061  0.00  0.00    -0.480 OA
BRANCH  23  27
ATOM     24  C   LIG    1        6.032  -0.941  -0.655  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        5.350  -1.341  -1.804  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        4.238  -0.609  -2.233  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        3.808   0.520  -1.528  0.00  0.00    +0.122 A 
ATOM     28  C   LIG    1        4.490   0.905  -0.372  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        5.604   0.177   0.063  0.00  0.00    +0.014 A 
BRANCH  24  31
ATOM     30  O   LIG    1        7.845  -1.404   0.797  0.00  0.00    -0.296 OA
ATOM     31  C   LIG    1        7.210  -1.710  -0.204  0.00  0.00    +0.258 C 
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  21
TORSDOF 6