REMARK  Name = LIG001611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.717   0.187  -0.048  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.408   0.246   0.346  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -0.923   0.782   1.326  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.633  -0.523  -0.625  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.528  -1.029  -1.552  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -1.124  -1.822  -2.605  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.240  -2.106  -2.693  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.151  -1.587  -1.745  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.733  -0.764  -0.687  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -2.862  -0.567  -1.177  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -3.873  -0.822  -1.800  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -7.723   0.530  -0.685  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.581   0.609  -0.238  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.824   1.732  -0.448  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.243   2.404  -1.078  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.470   1.859  -0.272  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.838   2.722  -0.881  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.798   0.856   0.664  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -4.778  -0.073   1.378  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -5.932  -0.532   0.505  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        1.607  -0.222   0.267  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        1.118   0.234   1.045  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.959   0.164   0.197  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        3.673   0.304   1.397  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.029   0.644   1.401  0.00  0.00    +0.050 A 
ATOM     26  C   LIG    1        5.693   0.829   0.192  0.00  0.00    +0.159 A 
ATOM     27  C   LIG    1        5.000   0.716  -1.010  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1        3.644   0.373  -1.004  0.00  0.00    +0.027 A 
BRANCH  26  29
ATOM     29  O   LIG    1        7.012   1.183   0.129  0.00  0.00    -0.322 OA
BRANCH  29  30
ATOM     30  S   LIG    1        8.126   0.209   0.819  0.00  0.00    +0.292 S 
ATOM     31  F   LIG    1        7.566  -1.277   0.685  0.00  0.00    -0.027 F 
ATOM     32  O   LIG    1        8.177   0.475   2.243  0.00  0.00    -0.103 OA
ATOM     33  O   LIG    1        9.323   0.234   0.002  0.00  0.00    -0.103 OA
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 5