REMARK VINA RESULT: -2.2 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 33.471 0.055 -43.417 0.00 0.00 0.017 A ATOM 2 C UNL d 1 34.422 0.679 -40.714 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 35.076 -0.327 -41.479 0.00 0.00 0.025 A ATOM 4 C UNL d 1 34.860 1.000 -39.372 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 32.893 1.092 -42.662 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 34.515 -0.660 -42.766 0.00 0.00 0.089 A ATOM 7 C UNL d 1 33.340 1.337 -41.344 0.00 0.00 0.020 A ATOM 8 C UNL d 1 36.230 -0.952 -40.916 0.00 0.00 0.051 A ATOM 9 C UNL d 1 35.965 0.305 -38.856 0.00 0.00 0.107 A ATOM 10 C UNL d 1 36.649 -0.639 -39.618 0.00 0.00 0.113 A ATOM 11 C UNL d 1 31.742 1.972 -43.097 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 33.020 -0.282 -44.814 0.00 0.00 0.017 A ATOM 13 C UNL d 1 33.836 -0.094 -45.945 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 33.363 -0.453 -47.226 0.00 0.00 0.020 A ATOM 15 C UNL d 1 35.254 0.422 -45.938 0.00 0.00 0.049 C ATOM 16 C UNL d 1 32.063 -0.923 -47.510 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 31.188 -1.059 -46.394 0.00 0.00 0.025 A ATOM 18 C UNL d 1 31.626 -1.251 -48.849 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 31.732 -0.818 -45.080 0.00 0.00 0.089 A ATOM 20 C UNL d 1 29.837 -1.449 -46.655 0.00 0.00 0.051 A ATOM 21 C UNL d 1 29.422 -1.768 -47.944 0.00 0.00 0.113 A ATOM 22 C UNL d 1 30.305 -1.691 -49.019 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 30.933 -1.204 -44.019 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 30.441 -0.441 -43.674 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 28.800 -1.404 -45.589 0.00 0.00 0.273 C ATOM 26 O UNL d 1 27.804 -2.116 -45.568 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 28.125 -2.116 -48.222 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 27.704 -2.265 -47.353 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 29.734 -2.042 -50.218 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 30.178 -2.813 -50.595 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 32.564 -1.087 -50.055 0.00 0.00 0.014 C ATOM 32 C UNL d 1 33.043 0.353 -50.275 0.00 0.00 0.015 C ATOM 33 C UNL d 1 33.699 -2.116 -50.046 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 35.021 -1.801 -43.364 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 34.344 -2.497 -43.392 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 37.102 -1.843 -41.717 0.00 0.00 0.273 C ATOM 37 O UNL d 1 37.561 -1.558 -42.816 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 34.166 2.094 -38.548 0.00 0.00 0.014 C ATOM 39 C UNL d 1 33.350 3.079 -39.392 0.00 0.00 0.015 C ATOM 40 C UNL d 1 33.389 1.515 -37.361 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 37.775 -1.195 -39.067 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 37.530 -1.406 -38.145 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 36.514 0.497 -37.610 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 35.929 1.029 -37.055 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11