REMARK  Name = LIG001320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.917  -0.048  -0.557  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.593  -0.004  -0.207  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.130   0.315   0.871  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.180  -0.403  -1.392  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        0.745  -0.705  -2.382  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.382  -1.135  -3.644  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.981  -1.257  -3.905  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.930  -0.954  -2.908  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -1.544  -0.523  -1.620  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.083  -0.500  -1.834  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        3.111  -0.725  -2.443  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.779  -0.356   1.978  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.659  -0.193   1.501  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        4.754  -1.224   1.451  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.092  -2.123   1.767  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.506  -1.224   0.869  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.854  -2.264   0.793  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        2.992   0.143   0.405  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.151   0.993  -0.108  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.183   1.151   0.999  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  C   LIG    1       -2.558  -0.213  -0.613  0.00  0.00    +0.021 A 
ATOM     22  S   LIG    1       -3.676  -1.415  -0.133  0.00  0.00    -0.088 S 
ATOM     23  C   LIG    1       -4.468  -0.363   0.975  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.878   0.902   0.985  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -4.414   1.884   1.852  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -5.507   1.585   2.671  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.079   0.321   2.642  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.570  -0.669   1.797  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -2.779   0.969   0.064  0.00  0.00    +0.024 A 
ENDBRANCH   9  21
TORSDOF 2