REMARK  Name = LIG001793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.827   0.427  -0.444  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.931  -0.316   0.310  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -1.086  -1.411   0.814  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.294   0.481   0.421  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.068   1.712  -0.193  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        1.064   2.673  -0.228  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.296   2.367   0.362  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.505   1.111   0.972  0.00  0.00    +0.113 A 
ATOM      9  C   LIG    1        1.493   0.148   1.021  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.329   1.769  -0.715  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.863  -1.694   0.268  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.753  -1.225   0.035  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.182  -0.307   0.880  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.714  -0.076   1.708  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.025   0.413   0.688  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.721   1.319   1.464  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.242   0.100  -0.596  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.497  -1.339  -1.043  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.992  -1.550  -1.229  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  S   LIG    1        4.066   0.754   1.726  0.00  0.00    +0.099 S 
ATOM     21  O   LIG    1        4.923   1.924   1.651  0.00  0.00    -0.146 OA
ATOM     22  O   LIG    1        3.825   0.052   2.973  0.00  0.00    -0.146 OA
BRANCH  20  23
ATOM     23  N   LIG    1        4.803  -0.404   0.678  0.00  0.00    -0.134 N 
ATOM     24  N   LIG    1        4.537  -0.551  -0.657  0.00  0.00    -0.155 NA
ATOM     25  C   LIG    1        5.407  -1.493  -1.042  0.00  0.00    +0.174 A 
ATOM     26  C   LIG    1        6.220  -1.910   0.016  0.00  0.00    +0.163 A 
ATOM     27  F   LIG    1        7.192  -2.822  -0.033  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1        5.839  -1.194   1.115  0.00  0.00    +0.174 A 
ENDBRANCH  20  23
ENDBRANCH   8  20
TORSDOF 3