MODEL 1
REMARK VINA RESULT:     -10.3      0.000      0.000
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -5.782  28.464  57.327  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -6.724  29.500  57.606  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -5.595  27.514  58.400  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -7.116  25.776  54.662  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -7.637  26.581  53.660  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -7.541  27.974  53.734  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -6.956  28.531  54.851  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -6.471  27.714  55.869  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -6.509  26.330  55.758  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -8.245  25.883  52.671  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -8.538  26.487  51.464  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -7.641  27.256  50.691  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -8.052  27.762  49.483  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -9.331  27.479  49.072  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -9.875  28.036  47.545  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1      -10.232  26.725  49.819  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -9.821  26.237  51.041  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -4.292  29.271  56.803  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.927  28.541  56.966  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -1.845  29.558  56.506  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -0.429  29.085  56.856  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -0.358  28.892  58.264  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -1.179  27.808  58.733  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -2.643  28.137  58.452  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -2.903  27.334  56.004  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -2.875  27.484  54.773  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -2.869  26.057  56.407  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -2.982  25.771  57.359  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1       -2.653  25.154  55.331  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1       -1.798  25.312  54.950  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
MODEL 2
REMARK VINA RESULT:      -8.6      1.821      2.449
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -4.348  27.561  55.419  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -4.376  26.431  56.292  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -3.108  27.735  54.697  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -7.751  26.090  53.881  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -7.892  26.822  52.712  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -6.919  27.746  52.320  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -5.836  27.946  53.148  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -5.723  27.233  54.339  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -6.659  26.268  54.689  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -9.047  26.564  52.052  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -9.171  26.868  50.710  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -8.245  27.613  49.948  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -8.471  27.802  48.607  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -9.596  27.236  48.061  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -9.894  27.389  46.380  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1      -10.522  26.498  48.795  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1      -10.301  26.330  50.145  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -4.821  28.961  56.399  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.804  29.569  57.408  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -2.822  30.423  56.558  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -1.920  31.300  57.435  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -2.749  32.144  58.226  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -3.532  31.425  59.196  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -4.496  30.494  58.465  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -3.011  28.413  58.055  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -1.825  28.197  57.767  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -3.513  27.593  58.989  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -4.476  27.578  59.257  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1       -2.522  26.748  59.558  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1       -1.659  27.097  59.368  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
MODEL 3
REMARK VINA RESULT:      -8.6      2.256      3.381
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -4.220  27.479  55.376  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -3.765  26.146  55.613  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -3.239  28.355  54.777  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -7.681  26.112  53.870  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -7.843  26.893  52.736  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -6.868  27.821  52.357  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -5.761  27.974  53.164  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -5.627  27.212  54.321  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -6.566  26.244  54.656  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -9.018  26.676  52.097  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -9.137  26.927  50.744  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -8.209  27.645  49.957  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -8.430  27.780  48.609  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -9.552  27.190  48.081  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -9.843  27.278  46.394  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1      -10.479  26.480  48.839  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1      -10.263  26.365  50.196  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -4.872  28.065  56.918  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.889  29.593  57.212  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -4.855  29.728  58.760  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.600  31.173  59.204  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -3.363  31.600  58.645  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -3.393  31.710  57.211  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -3.642  30.327  56.613  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -6.225  30.172  56.700  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -7.193  30.341  57.457  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -6.433  30.570  55.438  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -5.787  30.412  54.691  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1       -7.675  31.243  55.278  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1       -7.736  31.951  55.908  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
MODEL 4
REMARK VINA RESULT:      -8.6      3.300      4.769
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -5.847  29.213  57.189  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -5.736  28.224  58.213  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -4.618  29.911  56.888  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -7.040  26.169  54.861  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -7.464  26.819  53.712  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -7.340  28.205  53.583  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -6.828  28.918  54.646  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -6.442  28.259  55.810  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -6.505  26.875  55.906  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -8.012  25.986  52.795  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -8.405  26.465  51.560  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -7.590  27.190  50.663  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -8.097  27.566  49.444  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -9.386  27.201  49.146  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1      -10.047  27.592  47.613  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1      -10.206  26.487  50.015  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -9.700  26.130  51.247  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -7.188  30.273  57.663  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -7.076  31.806  57.419  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -5.956  32.306  58.374  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -5.543  33.750  58.064  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -5.101  33.808  56.713  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -6.151  33.568  55.759  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -6.674  32.145  55.945  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -8.408  32.463  57.841  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -9.169  32.982  57.011  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -8.861  32.491  59.102  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -8.323  32.202  59.893  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1      -10.194  32.978  59.188  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1      -10.471  32.986  60.097  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
MODEL 5
REMARK VINA RESULT:      -8.3      2.420      3.542
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -5.201  28.137  57.447  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -5.505  27.173  58.456  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -3.802  28.223  57.096  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -7.228  25.830  54.862  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -7.857  26.765  54.055  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -7.633  28.133  54.233  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -6.806  28.534  55.260  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -6.210  27.587  56.088  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -6.383  26.227  55.865  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -8.695  26.213  53.145  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -8.667  26.624  51.827  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -7.606  27.318  51.205  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -7.692  27.626  49.870  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -8.815  27.225  49.190  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -8.945  27.531  47.508  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -9.873  26.541  49.784  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -9.792  26.253  51.130  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -5.909  29.669  57.990  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.127  30.996  57.769  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -4.744  31.505  59.187  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -3.741  32.663  59.129  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -2.581  32.216  58.435  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -2.822  31.935  57.045  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -3.818  30.782  56.937  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -6.083  32.023  57.124  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -6.748  32.813  57.811  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -6.239  32.172  55.802  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -5.848  31.550  55.122  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1       -7.022  33.310  55.472  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1       -7.916  33.176  55.765  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
MODEL 6
REMARK VINA RESULT:      -8.0      1.923      2.838
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -4.889  27.203  56.053  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -5.611  26.762  57.203  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -3.641  26.512  55.822  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -7.876  25.705  53.829  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -7.945  26.604  52.776  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -7.039  27.664  52.675  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -6.102  27.822  53.674  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -6.066  26.935  54.747  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -6.925  25.845  54.806  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -8.968  26.356  51.923  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -8.941  26.849  50.633  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -7.883  27.588  50.059  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -7.968  27.978  48.745  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -9.088  27.614  48.040  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -9.218  28.024  46.380  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1      -10.142  26.887  48.588  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1      -10.061  26.515  49.912  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -4.727  28.962  56.210  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.431  29.560  56.831  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -3.132  28.705  58.094  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -1.741  28.999  58.669  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -0.775  28.739  57.657  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -0.857  29.647  56.544  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -2.209  29.469  55.856  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -3.730  31.007  57.280  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -3.950  31.286  58.468  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -3.734  32.061  56.453  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -3.669  31.987  55.457  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1       -3.842  33.296  57.148  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1       -4.153  33.137  58.031  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
MODEL 7
REMARK VINA RESULT:      -7.3      1.743      2.800
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -5.055  27.166  56.504  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -5.771  26.976  57.725  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -3.966  26.241  56.292  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -7.430  25.710  53.614  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -8.394  26.699  53.492  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -8.316  27.875  54.243  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -7.282  28.009  55.144  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -6.341  26.993  55.286  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -6.386  25.856  54.489  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -9.383  26.381  52.623  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -9.262  26.685  51.281  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1      -10.298  26.608  50.324  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1      -10.049  26.986  49.028  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -8.790  27.440  48.723  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -8.443  27.981  47.134  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -7.754  27.523  49.651  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -8.004  27.122  50.946  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -4.576  28.874  56.467  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.291  29.325  57.219  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -2.953  28.175  58.209  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -1.564  28.349  58.836  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -0.603  28.394  57.787  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -0.723  29.561  56.955  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -2.078  29.531  56.250  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -3.624  30.591  58.036  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -3.306  31.723  57.641  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -4.306  30.579  59.190  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -4.548  29.743  59.684  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1       -4.647  31.885  59.633  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1       -4.897  32.418  58.887  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
MODEL 8
REMARK VINA RESULT:      -7.3      1.538      1.816
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -5.934  29.897  56.463  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -6.370  31.126  55.879  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -6.458  29.638  57.784  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -8.225  27.427  54.281  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -7.327  26.935  53.346  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -5.977  27.292  53.388  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -5.565  28.182  54.356  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -6.482  28.700  55.267  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -7.809  28.289  55.262  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -7.904  26.134  52.417  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -8.335  26.655  51.213  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -7.638  27.602  50.430  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -8.163  28.000  49.226  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -9.351  27.440  48.828  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1      -10.020  27.858  47.306  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1      -10.055  26.506  49.585  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -9.534  26.125  50.803  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -4.163  29.902  56.371  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.352  28.840  57.168  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -2.441  28.132  56.125  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -1.389  27.240  56.796  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -0.605  28.050  57.665  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -1.346  28.563  58.786  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -2.449  29.486  58.272  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -4.340  27.800  57.738  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -4.682  27.813  58.930  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -4.930  26.848  57.003  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -4.688  26.648  56.054  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1       -5.939  26.153  57.724  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1       -5.990  25.256  57.414  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
MODEL 9
REMARK VINA RESULT:      -7.2      2.542      3.958
REMARK  Name = RS1_1_830C
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -2.278  28.330  57.790  0.00  0.00    -0.002 S 
ATOM      2  O   LIG    1       -2.113  27.329  58.796  0.00  0.00    -0.169 OA
ATOM      3  O   LIG    1       -1.147  28.487  56.904  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -4.765  26.856  55.006  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -5.974  26.805  55.682  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -6.086  27.278  56.992  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -4.953  27.757  57.614  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -3.735  27.768  56.939  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -3.645  27.359  55.614  0.00  0.00    +0.030 A 
BRANCH   5  10
ATOM     10  O   LIG    1       -6.970  26.237  54.959  0.00  0.00    -0.456 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -7.246  26.677  53.679  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -6.490  27.624  52.955  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -6.851  27.936  51.669  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -7.939  27.291  51.134  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -8.397  27.598  49.511  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -8.698  26.354  51.831  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -8.343  26.060  53.130  0.00  0.00    +0.048 A 
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1       -2.750  29.815  58.637  0.00  0.00    +0.188 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.102  31.088  57.813  0.00  0.00    +0.073 C 
ATOM     20  C   LIG    1       -2.590  32.292  58.654  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -2.624  33.601  57.857  0.00  0.00    +0.161 C 
ATOM     22  O   LIG    1       -1.822  33.437  56.693  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -2.362  32.485  55.759  0.00  0.00    +0.161 C 
ATOM     24  C   LIG    1       -2.392  31.107  56.417  0.00  0.00    +0.046 C 
BRANCH  19  25
ATOM     25  C   LIG    1       -4.638  31.187  57.704  0.00  0.00    +0.243 C 
ATOM     26  O   LIG    1       -5.210  31.235  56.605  0.00  0.00    -0.273 OA
ATOM     27  N   LIG    1       -5.465  31.185  58.759  0.00  0.00    -0.197 N 
ATOM     28  H   LIG    1       -5.155  31.247  59.708  0.00  0.00    +0.182 HD
BRANCH  27  29
ATOM     29  O   LIG    1       -6.830  31.087  58.378  0.00  0.00    -0.295 OA
ATOM     30  H   LIG    1       -7.381  31.395  59.088  0.00  0.00    +0.241 HD
ENDBRANCH  27  29
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7
ENDMDL
