REMARK  Name = LIG000986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.959  -1.853  -0.138  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1        0.278  -1.224  -0.236  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        0.605   0.225  -0.386  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1        2.056   0.222  -0.514  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1        2.589  -1.038  -0.311  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        3.756  -1.357  -0.207  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.459  -1.966  -0.193  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        1.481  -3.340  -0.054  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.252  -3.990   0.036  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.950  -3.256  -0.007  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.811   1.471  -0.518  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        3.351   1.764   0.882  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        2.609   1.907   1.855  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        4.713   1.821   1.029  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.048   2.007   1.964  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        5.683   1.508   0.114  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        6.870   1.553   0.427  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.233   1.084  -1.261  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        3.856   1.611  -1.622  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  23
ATOM     20  C   LIG    1       -4.646   0.339  -0.226  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1       -4.285  -0.488  -1.297  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.084  -1.205  -1.266  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1       -2.219  -1.107  -0.168  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1       -2.589  -0.277   0.901  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -3.791   0.441   0.876  0.00  0.00    +0.012 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.369   1.927   0.865  0.00  0.00    +0.091 C 
ATOM     27  C   LIG    1       -5.938   1.083  -0.306  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1       -6.629   1.003  -1.321  0.00  0.00    -0.292 OA
ENDBRANCH  20  27
ENDBRANCH   1  23
TORSDOF 3