REMARK VINA RESULT: -5.5 1.909 2.832 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 30.105 4.014 -43.099 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 31.365 3.690 -42.324 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 32.038 2.474 -42.521 0.00 0.00 0.010 A ATOM 4 C UNL d 1 33.172 2.154 -41.767 0.00 0.00 0.037 A ATOM 5 C UNL d 1 33.631 3.049 -40.807 0.00 0.00 0.065 A ATOM 6 C UNL d 1 32.988 4.261 -40.603 0.00 0.00 0.037 A ATOM 7 C UNL d 1 31.859 4.585 -41.361 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 34.719 2.772 -40.034 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 35.468 3.303 -40.352 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 29.681 5.461 -42.971 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 28.351 5.840 -43.216 0.00 0.00 0.010 A ATOM 12 C UNL d 1 27.975 7.186 -43.192 0.00 0.00 0.037 A ATOM 13 C UNL d 1 28.928 8.158 -42.909 0.00 0.00 0.065 A ATOM 14 C UNL d 1 30.240 7.803 -42.622 0.00 0.00 0.037 A ATOM 15 C UNL d 1 30.618 6.459 -42.659 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 28.608 9.485 -42.903 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 27.641 9.566 -42.941 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4