REMARK  Name = LIG000414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.597  -1.469  -1.854  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.505  -0.419  -2.083  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -2.618  -0.317  -1.264  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1       -3.720   0.690  -1.274  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1       -4.601   0.209  -0.217  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.058  -0.871   0.464  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1       -4.498  -1.429   1.451  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.820  -1.233  -0.233  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.948  -2.271   0.026  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -0.826  -2.385  -0.798  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.702   0.992   0.331  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.213   2.237   1.091  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.041   2.459   1.385  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.196   3.141   1.427  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -5.861   3.965   1.909  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.373   3.321   0.747  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -7.995   4.376   0.827  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.861   2.155  -0.081  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.699   1.427  -0.739  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.644  -1.608  -2.703  0.00  0.00    +0.139 C 
BRANCH  20  22
ATOM     21  C   LIG    1        2.709  -1.962  -1.417  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        1.803  -1.109  -1.995  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        1.786  -0.133  -1.744  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        2.643  -3.182  -1.532  0.00  0.00    -0.270 OA
BRANCH  21  30
ATOM     25  C   LIG    1        7.440   1.845   1.121  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1        6.981   0.453   1.448  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1        5.936  -0.149   0.727  0.00  0.00    +0.131 A 
ATOM     28  O   LIG    1        5.381   0.579  -0.293  0.00  0.00    -0.486 OA
ATOM     29  C   LIG    1        4.106   0.140  -0.789  0.00  0.00    +0.269 C 
ATOM     30  C   LIG    1        3.787  -1.312  -0.619  0.00  0.00    +0.052 C 
ATOM     31  C   LIG    1        4.472  -2.082   0.238  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1        5.527  -1.456   1.024  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1        6.156  -2.161   2.054  0.00  0.00    +0.011 A 
ATOM     34  C   LIG    1        7.186  -1.566   2.783  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        7.597  -0.268   2.481  0.00  0.00    +0.007 A 
ENDBRANCH  21  30
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4