REMARK VINA RESULT: -3.7 1.905 2.424 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 42.699 64.161 56.454 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 43.081 63.979 57.909 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 42.106 63.699 58.879 0.00 0.00 0.010 A ATOM 4 C UNL d 1 42.454 63.583 60.229 0.00 0.00 0.037 A ATOM 5 C UNL d 1 43.779 63.754 60.611 0.00 0.00 0.065 A ATOM 6 C UNL d 1 44.761 64.020 59.668 0.00 0.00 0.037 A ATOM 7 C UNL d 1 44.416 64.129 58.318 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 44.162 63.671 61.917 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 44.916 63.060 61.980 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 41.961 65.455 56.188 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 42.662 66.666 56.069 0.00 0.00 0.010 A ATOM 12 C UNL d 1 41.978 67.875 55.917 0.00 0.00 0.037 A ATOM 13 C UNL d 1 40.589 67.876 55.870 0.00 0.00 0.065 A ATOM 14 C UNL d 1 39.876 66.685 55.943 0.00 0.00 0.037 A ATOM 15 C UNL d 1 40.560 65.478 56.107 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 39.883 69.037 55.751 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 39.595 69.125 54.828 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4