REMARK VINA RESULT: 12.1 1.510 6.446 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 20.837 -4.795 1.897 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 20.436 -6.244 2.086 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 19.119 -6.663 1.846 0.00 0.00 0.010 A ATOM 4 C UNL d 1 18.738 -7.991 2.072 0.00 0.00 0.037 A ATOM 5 C UNL d 1 19.677 -8.900 2.547 0.00 0.00 0.065 A ATOM 6 C UNL d 1 20.987 -8.509 2.781 0.00 0.00 0.037 A ATOM 7 C UNL d 1 21.370 -7.185 2.549 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 19.348 -10.197 2.802 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 18.660 -10.472 2.172 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 21.827 -4.591 0.771 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 23.084 -4.017 1.021 0.00 0.00 0.010 A ATOM 12 C UNL d 1 23.965 -3.740 -0.029 0.00 0.00 0.037 A ATOM 13 C UNL d 1 23.596 -4.050 -1.332 0.00 0.00 0.065 A ATOM 14 C UNL d 1 22.375 -4.658 -1.598 0.00 0.00 0.037 A ATOM 15 C UNL d 1 21.490 -4.923 -0.551 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 24.414 -3.770 -2.388 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 24.313 -2.831 -2.610 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4