REMARK  Name = LIG000534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.092  -0.307   0.133  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        0.575  -0.044  -1.054  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.111   0.090  -2.169  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.000   0.071  -0.724  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        2.137  -0.029   0.661  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1        3.395   0.056   1.222  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1        4.500   0.229   0.385  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        4.341   0.330  -1.009  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.071   0.254  -1.580  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.795  -0.206   1.282  0.00  0.00    +0.148 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.462   0.673  -0.622  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.283   0.386  -0.433  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -3.367   1.351  -0.098  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.719   2.298  -0.050  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -2.064   1.174   0.307  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -1.418   2.120   0.756  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -1.543  -0.272   0.287  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.296  -1.101  -0.753  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.787  -1.040  -0.461  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  O   LIG    1        3.626  -0.020   2.559  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1        2.785  -0.009   3.042  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
TORSDOF 2