REMARK  Name = LIG001427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.153   1.512   0.427  0.00  0.00    +0.112 A 
ATOM      2  C   LIG    1        1.062   0.901   1.050  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -0.139   0.935   0.368  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1       -1.436   0.374   0.759  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -2.345   0.741  -0.222  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -1.694   1.389  -1.353  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -1.619  -0.298   1.754  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.287   1.544  -0.878  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        0.791   2.158  -1.492  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.023   2.146  -0.827  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.691   0.189  -0.339  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -3.654  -1.252  -0.874  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -2.787  -1.667  -1.642  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -4.727  -2.046  -0.541  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -4.718  -2.983  -0.921  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -5.853  -1.692   0.159  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -6.800  -2.467   0.266  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.901  -0.283   0.701  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.503   0.260   0.954  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  S   LIG    1        3.725   1.522   1.248  0.00  0.00    +0.085 S 
ATOM     21  O   LIG    1        4.549   2.559   0.658  0.00  0.00    -0.148 OA
ATOM     22  O   LIG    1        3.504   1.426   2.677  0.00  0.00    -0.148 OA
BRANCH  20  27
ATOM     23  C   LIG    1        5.993  -2.364  -1.397  0.00  0.00    +0.067 C 
ATOM     24  C   LIG    1        5.299  -1.529  -0.390  0.00  0.00    +0.058 A 
ATOM     25  N   LIG    1        4.734  -2.108   0.728  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1        4.202  -1.118   1.413  0.00  0.00    +0.222 A 
ATOM     27  N   LIG    1        4.423   0.066   0.786  0.00  0.00    -0.206 N 
ATOM     28  C   LIG    1        5.091  -0.164  -0.383  0.00  0.00    +0.136 A 
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 3