REMARK VINA RESULT: -7.0 0.000 0.000 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 -17.699 20.522 -27.897 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -19.867 20.351 -25.931 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -18.531 20.058 -25.538 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -20.961 20.263 -24.987 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -19.018 20.875 -28.235 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -17.515 20.068 -26.562 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -20.051 20.736 -27.280 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -18.289 19.755 -24.163 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -20.661 19.901 -23.663 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -19.350 19.670 -23.254 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -19.493 21.342 -29.593 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -16.557 20.614 -28.876 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -15.461 21.476 -28.690 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -14.410 21.497 -29.633 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -15.240 22.386 -27.506 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -14.389 20.771 -30.843 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -15.519 19.940 -31.095 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -13.294 20.854 -31.784 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -16.515 19.828 -30.058 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -15.572 19.257 -32.350 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -14.514 19.335 -33.251 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -13.387 20.102 -32.966 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -17.453 18.827 -30.233 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -17.386 18.455 -31.128 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -16.803 18.549 -32.793 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -17.067 17.387 -32.509 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -14.556 18.713 -34.473 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -15.494 18.475 -34.611 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -12.439 20.067 -33.959 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -12.654 19.388 -34.613 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -12.084 21.762 -31.520 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -10.781 20.996 -31.257 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -11.946 22.862 -32.578 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -16.290 19.540 -26.196 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -15.820 20.152 -25.605 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -16.915 19.655 -23.618 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -16.229 18.641 -23.651 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -22.402 20.592 -25.402 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -23.369 19.410 -25.263 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -22.911 21.880 -24.747 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -19.143 19.419 -21.922 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -18.365 19.958 -21.679 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -21.576 19.784 -22.644 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -21.215 19.263 -21.916 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11