REMARK VINA RESULT: -7.5 1.892 2.536 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 4.063 4.245 3.178 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 5.202 3.665 3.991 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 5.023 2.498 4.749 0.00 0.00 0.010 A ATOM 4 C UNL d 1 6.061 1.992 5.540 0.00 0.00 0.037 A ATOM 5 C UNL d 1 7.279 2.661 5.578 0.00 0.00 0.065 A ATOM 6 C UNL d 1 7.481 3.810 4.828 0.00 0.00 0.037 A ATOM 7 C UNL d 1 6.448 4.311 4.032 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 8.312 2.218 6.350 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 8.363 2.773 7.147 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 3.026 4.953 4.023 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 1.758 5.251 3.498 0.00 0.00 0.010 A ATOM 12 C UNL d 1 0.831 5.987 4.241 0.00 0.00 0.037 A ATOM 13 C UNL d 1 1.165 6.418 5.520 0.00 0.00 0.065 A ATOM 14 C UNL d 1 2.398 6.098 6.076 0.00 0.00 0.037 A ATOM 15 C UNL d 1 3.329 5.373 5.328 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 0.300 7.162 6.267 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -0.314 7.612 5.664 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4