REMARK VINA RESULT: -7.0 0.065 9.533 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 -16.595 20.597 -28.882 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -14.438 20.739 -30.862 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -15.555 19.889 -31.094 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -13.350 20.821 -31.815 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -15.512 21.481 -28.719 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -16.544 19.786 -30.049 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -14.463 21.492 -29.665 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -15.613 19.182 -32.333 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -13.443 20.053 -32.987 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -14.559 19.263 -33.251 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -15.298 22.417 -27.549 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -17.729 20.510 -27.895 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -19.053 20.858 -28.220 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -20.076 20.731 -27.255 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -19.539 21.323 -29.572 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -19.881 20.354 -25.910 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -18.540 20.061 -25.528 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -20.967 20.265 -24.959 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -17.532 20.065 -26.560 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -18.292 19.761 -24.152 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -19.341 19.672 -23.241 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -20.656 19.899 -23.640 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -16.306 19.533 -26.204 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -16.145 18.706 -26.688 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -16.908 19.660 -23.620 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -16.227 18.642 -23.663 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -19.125 19.414 -21.911 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -18.841 18.479 -21.871 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -21.564 19.769 -22.618 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -21.855 20.636 -22.306 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -22.411 20.597 -25.365 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -23.374 19.410 -25.248 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -22.923 21.872 -24.688 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -17.474 18.772 -30.202 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -17.040 17.958 -30.507 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -16.830 18.453 -32.758 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -17.012 17.252 -32.594 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -12.149 21.747 -31.577 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -10.831 21.001 -31.344 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -12.050 22.847 -32.639 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -14.605 18.626 -34.464 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -15.489 18.832 -34.827 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -12.508 20.025 -33.995 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -12.935 19.957 -34.859 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11