REMARK VINA RESULT: -8.1 0.000 0.000 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 2.274 5.397 2.911 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 3.482 4.485 2.971 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 4.754 4.950 2.605 0.00 0.00 0.010 A ATOM 4 C UNL d 1 5.859 4.092 2.611 0.00 0.00 0.037 A ATOM 5 C UNL d 1 5.689 2.761 2.978 0.00 0.00 0.065 A ATOM 6 C UNL d 1 4.443 2.283 3.355 0.00 0.00 0.037 A ATOM 7 C UNL d 1 3.340 3.141 3.356 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 6.732 1.883 2.980 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 6.578 1.219 2.286 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 1.742 5.775 4.276 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 0.371 6.008 4.469 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -0.113 6.449 5.704 0.00 0.00 0.037 A ATOM 13 C UNL d 1 0.774 6.647 6.756 0.00 0.00 0.065 A ATOM 14 C UNL d 1 2.129 6.382 6.600 0.00 0.00 0.037 A ATOM 15 C UNL d 1 2.614 5.954 5.362 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 0.347 7.103 7.969 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 0.453 6.388 8.618 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4