REMARK  Name = LIG000159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.764   0.328  -0.397  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -0.709   1.170  -0.084  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -0.712   2.131   0.659  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.469   0.656  -0.789  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.099  -0.511  -1.459  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        1.029  -1.218  -2.203  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1        2.340  -0.730  -2.255  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        2.694   0.446  -1.558  0.00  0.00    +0.115 A 
ATOM      9  C   LIG    1        1.751   1.166  -0.819  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.351  -0.797  -1.229  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.535  -1.020   1.994  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.515  -0.541   1.508  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.408  -0.330   0.157  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.192  -0.655  -0.393  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.257  -0.070  -0.553  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.247  -0.205  -1.775  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.057   0.414   0.277  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.026  -0.339   1.608  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.335  -0.124   2.351  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  S   LIG    1        4.361   1.051  -1.650  0.00  0.00    +0.115 S 
ATOM     21  O   LIG    1        4.297   2.492  -1.818  0.00  0.00    -0.145 OA
ATOM     22  O   LIG    1        5.126   0.191  -2.536  0.00  0.00    -0.145 OA
BRANCH  20  23
ATOM     23  N   LIG    1        5.008   0.760  -0.031  0.00  0.00    -0.040 N 
ATOM     24  N   LIG    1        6.111   1.425   0.456  0.00  0.00    -0.138 NA
ATOM     25  C   LIG    1        6.297   0.838   1.638  0.00  0.00    +0.158 A 
ATOM     26  C   LIG    1        5.344  -0.164   1.837  0.00  0.00    +0.158 A 
ATOM     27  N   LIG    1        4.525  -0.242   0.786  0.00  0.00    -0.138 NA
ENDBRANCH  20  23
ENDBRANCH   8  20
TORSDOF 3