MODEL 1
REMARK VINA RESULT:     -10.3      0.000      0.000
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1       2.952   1.919   1.076  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1       3.294   0.883   2.146  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1       4.421  -0.085   1.706  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1       4.122  -0.793   0.341  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1       3.719   0.299  -0.687  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1       2.583   1.227  -0.231  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1       4.734  -1.094   2.826  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1       3.635  -2.157   2.995  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1       3.320  -2.890   1.680  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1       2.992  -1.873   0.535  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1       2.141  -3.853   1.833  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1       1.778  -4.651   0.538  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1       1.433  -3.613  -0.555  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1       2.585  -2.602  -0.760  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1       2.197  -4.938   2.925  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1       1.103  -5.961   2.500  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1       0.601  -5.545   1.073  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1       5.423  -1.434  -0.194  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1       2.938  -5.546   0.053  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1       0.111  -6.762   0.250  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1      -0.566  -6.347  -1.077  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1      -0.833  -7.638   1.091  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1      -2.237  -7.072   1.353  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1      -2.481  -6.677   2.861  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1      -3.001  -5.555   3.039  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1      -2.163  -7.554   3.711  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1       0.235  -2.937  -0.178  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1      -0.464  -3.215  -0.798  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1       1.887   2.717   1.593  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1       1.469   2.203   2.316  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
MODEL 2
REMARK VINA RESULT:     -10.1      1.957      2.941
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1       0.836   1.258  -3.074  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1       0.869   1.532  -1.571  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1       2.282   1.358  -0.959  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1       2.916  -0.041  -1.271  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1       2.797  -0.291  -2.798  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1       1.379  -0.135  -3.369  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1       2.258   1.661   0.550  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1       1.567   0.557   1.369  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1       2.170  -0.834   1.106  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1       2.192  -1.156  -0.426  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1       1.392  -1.937   1.828  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1       1.964  -3.379   1.623  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1       1.940  -3.666   0.105  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1       2.707  -2.584  -0.690  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1       1.193  -1.838   3.352  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1       0.792  -3.281   3.777  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1       0.978  -4.208   2.525  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1       4.429   0.005  -0.954  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1       3.406  -3.521   2.154  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1       1.326  -5.663   2.923  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1       1.299  -6.632   1.717  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1       0.386  -6.158   4.037  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1      -0.644  -7.225   3.636  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1      -2.113  -6.663   3.515  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1      -2.209  -5.417   3.533  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1      -3.018  -7.531   3.372  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1       0.581  -3.733  -0.325  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1       0.486  -3.133  -1.086  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1      -0.516   1.420  -3.498  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1      -0.577   1.056  -4.407  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
MODEL 3
REMARK VINA RESULT:     -10.0      1.592      2.173
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1       1.927   1.126  -1.727  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1       1.807   1.127  -0.204  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1       3.081   0.594   0.499  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1       3.515  -0.823  -0.011  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1       3.557  -0.781  -1.563  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1       2.270  -0.271  -2.229  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1       2.910   0.632   2.029  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1       1.948  -0.450   2.549  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1       2.346  -1.862   2.084  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1       2.515  -1.914   0.528  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1       1.312  -2.911   2.500  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1       1.664  -4.376   2.079  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1       1.792  -4.389   0.540  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1       2.822  -3.345   0.047  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1       0.935  -3.041   3.988  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1       0.253  -4.437   4.086  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1       0.448  -5.152   2.704  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1       4.960  -1.110   0.456  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1       2.982  -4.869   2.712  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1       0.500  -6.693   2.848  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1       0.547  -7.416   1.481  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1      -0.687  -7.198   3.687  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1      -2.039  -7.301   2.966  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1      -3.171  -6.426   3.630  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1      -4.153  -7.067   4.062  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1      -2.938  -5.187   3.688  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1       0.509  -4.130  -0.026  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1       0.366  -4.783  -0.735  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1       0.685   1.604  -2.243  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1       0.159   0.817  -2.497  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
MODEL 4
REMARK VINA RESULT:      -9.4      1.944      7.919
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1      -3.026  -7.457   1.970  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1      -2.487  -6.848   0.677  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1      -1.041  -7.302   0.356  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1      -0.042  -7.043   1.535  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1      -0.670  -7.625   2.831  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1      -2.094  -7.137   3.133  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1      -0.557  -6.672  -0.962  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1      -0.251  -5.170  -0.829  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1       0.740  -4.871   0.309  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1       0.253  -5.501   1.658  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1       0.935  -3.367   0.513  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1       1.949  -2.988   1.643  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1       1.417  -3.603   2.957  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1       1.192  -5.127   2.821  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1       1.381  -2.501  -0.680  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1       1.899  -1.188  -0.025  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1       1.934  -1.420   1.526  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1       1.258  -7.843   1.285  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1       3.370  -3.521   1.360  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1       3.035  -0.579   2.218  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1       2.485   0.277   3.383  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1       3.761   0.308   1.191  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1       5.084  -0.239   0.632  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1       5.593   0.537  -0.644  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1       4.868   0.428  -1.656  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1       6.647   1.212  -0.485  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1       0.200  -2.946   3.306  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1       0.384  -1.991   3.344  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1      -4.340  -6.935   2.162  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1      -4.274  -6.236   2.846  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
MODEL 5
REMARK VINA RESULT:      -9.2      1.756      2.449
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1       3.125   1.635  -1.058  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1       3.074   1.431   0.456  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1       4.183   0.479   0.972  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1       4.192  -0.905   0.238  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1       4.179  -0.636  -1.292  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1       3.053   0.291  -1.774  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1       4.093   0.324   2.501  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1       2.896  -0.534   2.944  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1       2.874  -1.911   2.259  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1       2.957  -1.765   0.702  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1       1.612  -2.702   2.610  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1       1.534  -4.125   1.964  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1       1.588  -3.933   0.432  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1       2.842  -3.134   0.005  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1       1.277  -2.957   4.092  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1       0.245  -4.121   4.053  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1       0.179  -4.640   2.574  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1       5.523  -1.631   0.539  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1       2.693  -5.039   2.413  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1      -0.185  -6.144   2.500  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1       0.331  -6.941   3.721  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1       0.336  -6.761   1.191  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1      -0.727  -7.277   0.209  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1      -0.905  -6.357  -1.061  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1      -1.580  -5.322  -0.877  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1      -0.310  -6.749  -2.103  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1       0.401  -3.261   0.015  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1       0.617  -2.316  -0.078  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1       2.040   2.496  -1.399  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1       1.840   3.035  -0.604  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
MODEL 6
REMARK VINA RESULT:      -8.9     14.890     17.104
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1      14.361  -4.122  -6.003  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1      15.331  -5.189  -6.511  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1      15.711  -4.994  -8.001  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1      14.463  -4.900  -8.944  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1      13.487  -3.851  -8.344  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1      13.111  -4.087  -6.874  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1      16.699  -6.084  -8.453  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1      16.035  -7.462  -8.613  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1      14.812  -7.420  -9.546  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1      13.796  -6.320  -9.090  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1      14.087  -8.767  -9.595  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1      12.844  -8.804 -10.543  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1      11.856  -7.726 -10.041  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1      12.526  -6.334  -9.963  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1      14.879 -10.030  -9.984  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1      13.780 -11.065 -10.362  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1      12.407 -10.306 -10.384  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1      14.905  -4.346 -10.318  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1      13.216  -8.519 -12.014  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1      11.408 -10.936 -11.385  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1      10.102 -11.409 -10.703  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1      12.070 -12.094 -12.151  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1      11.490 -12.415 -13.538  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1      11.229 -11.132 -14.419  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1      12.255 -10.519 -14.781  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1      10.019 -10.897 -14.691  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1      11.367  -8.118  -8.760  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1      10.487  -8.514  -8.893  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1      14.071  -4.437  -4.641  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1      14.225  -5.399  -4.531  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
MODEL 7
REMARK VINA RESULT:      -8.7      3.846      7.390
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1       2.391  -3.030   3.735  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1       3.524  -2.619   2.795  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1       3.805  -1.095   2.823  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1       2.527  -0.232   2.544  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1       1.395  -0.736   3.480  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1       1.125  -2.246   3.411  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1       4.962  -0.742   1.871  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1       4.563  -0.827   0.388  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1       3.320   0.020   0.066  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1       2.133  -0.336   1.023  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1       2.859  -0.173  -1.381  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1       1.610   0.677  -1.786  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1       0.457   0.273  -0.839  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1       0.857   0.441   0.646  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1       3.858   0.080  -2.525  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1       2.959   0.232  -3.787  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1       1.469   0.274  -3.299  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1       2.806   1.234   2.950  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1       1.868   2.194  -1.669  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1       0.569   1.106  -4.245  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1      -0.772   0.402  -4.562  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1       1.321   1.449  -5.543  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1       0.845   0.735  -6.817  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1       1.996  -0.038  -7.569  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1       2.428  -1.052  -6.980  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1       2.319   0.429  -8.696  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1       0.098  -1.080  -1.110  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1      -0.649  -1.064  -1.735  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1       2.216  -4.439   3.587  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1       2.923  -4.872   4.111  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
MODEL 8
REMARK VINA RESULT:      -8.6      1.599      7.466
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1      -2.060  -7.363   2.166  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1      -1.869  -6.712   0.797  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1      -0.454  -6.949   0.212  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1       0.693  -6.512   1.186  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1       0.412  -7.149   2.574  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1      -0.991  -6.876   3.137  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1      -0.324  -6.286  -1.172  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1      -0.234  -4.753  -1.093  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1       0.891  -4.277  -0.157  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1       0.764  -4.939   1.256  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1       0.886  -2.756   0.012  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1       2.020  -2.200   0.934  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1       1.840  -2.854   2.322  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1       1.831  -4.398   2.226  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1       0.966  -1.864  -1.241  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1       1.387  -0.471  -0.689  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1       1.742  -0.656   0.828  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1       2.031  -7.110   0.696  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1       3.430  -2.517   0.391  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1       2.808   0.361   1.305  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1       3.081   0.266   2.825  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1       2.402   1.793   0.916  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1       1.616   2.590   1.969  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1       0.063   2.625   1.696  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1      -0.549   1.571   1.972  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1      -0.390   3.725   1.273  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1       0.621  -2.382   2.894  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1       0.567  -2.737   3.799  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1      -3.381  -7.043   2.600  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1      -4.000  -7.427   1.943  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
MODEL 9
REMARK VINA RESULT:      -8.5      2.050      7.479
REMARK  6 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: C1_1  and  O2_4
REMARK    2  A    between atoms: O1_2  and  C13_17
REMARK    3  A    between atoms: C17_21  and  C19_23
REMARK    4  A    between atoms: C19_23  and  C21_25
REMARK    5  A    between atoms: C21_25  and  C22_26
REMARK    6  A    between atoms: C22_26  and  C23_27
ROOT
ATOM      1  C1  DXC     1      -0.264  -6.681   3.024  1.00  0.00     0.118 C
ATOM      2  C2  DXC     1      -0.774  -6.367   1.618  1.00  0.00     0.037 C
ATOM      3  C3  DXC     1       0.334  -6.475   0.540  1.00  0.00    -0.004 C
ATOM      4  C4  DXC     1       1.594  -5.604   0.868  1.00  0.00    -0.036 C
ATOM      5  C5  DXC     1       2.027  -5.917   2.326  1.00  0.00     0.012 C
ATOM      6  C6  DXC     1       0.912  -5.777   3.373  1.00  0.00     0.032 C
ATOM      7  C7  DXC     1      -0.238  -6.165  -0.856  1.00  0.00     0.006 C
ATOM      8  C8  DXC     1      -0.544  -4.671  -1.057  1.00  0.00     0.006 C
ATOM      9  C9  DXC     1       0.673  -3.777  -0.760  1.00  0.00    -0.005 C
ATOM     10  C10 DXC     1       1.259  -4.078   0.661  1.00  0.00     0.001 C
ATOM     11  C11 DXC     1       0.320  -2.290  -0.840  1.00  0.00     0.001 C
ATOM     12  C12 DXC     1       1.518  -1.321  -0.571  1.00  0.00    -0.010 C
ATOM     13  C13 DXC     1       2.045  -1.631   0.848  1.00  0.00     0.127 C
ATOM     14  C14 DXC     1       2.419  -3.124   1.001  1.00  0.00     0.038 C
ATOM     15  C15 DXC     1      -0.311  -1.738  -2.132  1.00  0.00     0.006 C
ATOM     16  C16 DXC     1      -0.109  -0.199  -2.026  1.00  0.00     0.006 C
ATOM     17  C17 DXC     1       0.814   0.069  -0.786  1.00  0.00     0.000 C
ATOM     18  C18 DXC     1       2.767  -6.045  -0.037  1.00  0.00     0.016 C
ATOM     19  C20 DXC     1       2.658  -1.496  -1.596  1.00  0.00     0.018 C
ENDROOT
BRANCH  17  20
ATOM     20  C19 DXC     1       1.664   1.352  -0.958  1.00  0.00    -0.013 C
ATOM     21  C24 DXC     1       2.100   1.584  -2.424  1.00  0.00     0.010 C
BRANCH  20  22
ATOM     22  C21 DXC     1       2.888   1.319  -0.027  1.00  0.00     0.015 C
BRANCH  22  23
ATOM     23  C22 DXC     1       4.240   1.674  -0.664  1.00  0.00     0.113 C
BRANCH  23  24
ATOM     24  C23 DXC     1       5.446   0.844  -0.077  1.00  0.00     0.172 C
ATOM     25  O4  DXC     1       6.570   1.148  -0.530  1.00  0.00    -0.648 OA
ATOM     26  O3  DXC     1       5.144  -0.000   0.811  1.00  0.00    -0.648 OA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
BRANCH  13  27
ATOM     27  O1  DXC     1       1.043  -1.266   1.796  1.00  0.00    -0.395 OA
ATOM     28 1H1O DXC     1       0.221  -1.722   1.541  1.00  0.00     0.210 HD
ENDBRANCH  13  27
BRANCH   1  29
ATOM     29  O2  DXC     1      -1.367  -6.514   3.914  1.00  0.00    -0.396 OA
ATOM     30  H2  DXC     1      -0.995  -6.274   4.789  1.00  0.00     0.210 HD
ENDBRANCH   1  29
TORSDOF 6
ENDMDL
