REMARK  Name = LIG000316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.480   2.439   0.191  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -0.571   2.318   1.107  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.872   2.075   0.646  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -2.159   1.944  -0.702  0.00  0.00    +0.100 A 
ATOM      5  N   LIG    1       -3.449   1.694  -1.180  0.00  0.00    -0.131 NA
ATOM      6  N   LIG    1       -4.407   1.624  -0.383  0.00  0.00    -0.061 NA
ATOM      7  N   LIG    1       -4.235   1.771   0.966  0.00  0.00    -0.198 N 
ATOM      8  C   LIG    1       -1.106   2.054  -1.615  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -3.000   1.941   1.562  0.00  0.00    +0.278 A 
ATOM     10  O   LIG    1       -2.811   1.974   2.775  0.00  0.00    -0.265 OA
ATOM     11  C   LIG    1        0.201   2.295  -1.175  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -5.422   1.627   1.809  0.00  0.00    +0.199 C 
ATOM     13  C   LIG    1       -6.649   2.273   1.166  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -6.777   3.491   1.051  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -7.585   1.423   0.625  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -8.365   1.870   0.162  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.491   0.066   0.450  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.334  -0.546  -0.200  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.279  -0.615   1.037  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1       -5.701   0.175   2.200  0.00  0.00    +0.046 C 
ENDBRANCH   7  12
BRANCH   1  21
ATOM     21  C   LIG    1        1.893   2.675   0.663  0.00  0.00    +0.141 C 
BRANCH  21  25
ATOM     22  N   LIG    1        3.836  -0.369   0.277  0.00  0.00    -0.269 N 
ATOM     23  H   LIG    1        3.813  -0.530   1.273  0.00  0.00    +0.156 HD
ATOM     24  C   LIG    1        3.316   0.840  -0.132  0.00  0.00    +0.304 C 
ATOM     25  N   LIG    1        2.586   1.424   0.884  0.00  0.00    -0.295 N 
ATOM     26  H   LIG    1        2.151   0.789   1.535  0.00  0.00    +0.151 HD
ATOM     27  O   LIG    1        3.471   1.369  -1.224  0.00  0.00    -0.252 OA
BRANCH  22  32
ATOM     28  C   LIG    1        6.018  -3.270  -1.906  0.00  0.00    +0.138 A 
ATOM     29  C   LIG    1        5.433  -2.185  -2.578  0.00  0.00    +0.084 A 
ATOM     30 CL   LIG    1        5.578  -2.012  -4.295  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        4.708  -1.209  -1.881  0.00  0.00    +0.047 A 
ATOM     32  C   LIG    1        4.558  -1.299  -0.498  0.00  0.00    +0.036 A 
ATOM     33  C   LIG    1        5.133  -2.383   0.173  0.00  0.00    +0.027 A 
ATOM     34  C   LIG    1        5.858  -3.360  -0.522  0.00  0.00    +0.049 A 
BRANCH  28  36
ATOM     35  C   LIG    1        7.330  -5.266  -2.004  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1        6.706  -4.176  -2.669  0.00  0.00    -0.494 OA
ENDBRANCH  28  36
ENDBRANCH  22  32
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 5