REMARK VINA RESULT: -7.6 1.608 2.407 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 1 113.910 84.318 52.355 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 112.678 83.904 51.577 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 112.747 83.663 50.196 0.00 0.00 0.010 A ATOM 4 C UNL d 1 111.597 83.331 49.470 0.00 0.00 0.037 A ATOM 5 C UNL d 1 110.374 83.249 50.126 0.00 0.00 0.065 A ATOM 6 C UNL d 1 110.285 83.473 51.492 0.00 0.00 0.037 A ATOM 7 C UNL d 1 111.434 83.796 52.219 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 109.225 82.950 49.457 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 109.076 83.630 48.778 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 114.124 85.815 52.383 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 114.732 86.429 53.490 0.00 0.00 0.010 A ATOM 12 C UNL d 1 114.847 87.820 53.563 0.00 0.00 0.037 A ATOM 13 C UNL d 1 114.364 88.603 52.520 0.00 0.00 0.065 A ATOM 14 C UNL d 1 113.797 88.015 51.396 0.00 0.00 0.037 A ATOM 15 C UNL d 1 113.671 86.625 51.330 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 114.431 89.965 52.565 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 113.655 90.292 53.048 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4