REMARK  Name = LIG001351
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.324   0.363   0.514  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -2.337   1.145   1.053  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1       -2.435   2.114   1.781  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.064   0.583   0.607  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.349  -0.502  -0.196  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.351  -1.250  -0.782  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        0.971  -0.863  -0.525  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        1.281   0.247   0.300  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        0.232   0.984   0.873  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1       -2.802  -0.629  -0.268  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1       -3.382  -1.462  -0.935  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -7.893  -0.973  -1.520  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -6.987  -0.512  -0.830  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -6.512   0.751  -1.057  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.861   1.156  -1.916  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.272   1.193  -0.676  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.646   1.983  -1.382  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -4.742   0.662   0.658  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -5.585  -0.463   1.259  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -6.289  -1.329   0.228  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1        2.605   0.663   0.532  0.00  0.00    -0.314 N 
ATOM     22  H   LIG    1        2.725   1.229   1.366  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.769   0.567  -0.252  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        5.016   0.586   0.388  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1        6.198   0.437  -0.341  0.00  0.00    +0.161 A 
ATOM     26  C   LIG    1        6.161   0.303  -1.726  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.929   0.276  -2.375  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.745   0.397  -1.641  0.00  0.00    +0.023 A 
BRANCH  25  29
ATOM     29  O   LIG    1        7.375   0.485   0.355  0.00  0.00    -0.322 OA
BRANCH  29  30
ATOM     30  S   LIG    1        8.418  -0.767   0.238  0.00  0.00    +0.292 S 
ATOM     31  F   LIG    1        7.528  -2.071   0.023  0.00  0.00    -0.027 F 
ATOM     32  O   LIG    1        9.053  -0.954   1.527  0.00  0.00    -0.103 OA
ATOM     33  O   LIG    1        9.196  -0.627  -0.977  0.00  0.00    -0.103 OA
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5