REMARK VINA RESULT: -4.9 0.138 9.277 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 37.423 -36.046 -46.953 0.00 0.00 0.017 A ATOM 2 C UNL d 1 39.753 -37.676 -46.239 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 38.532 -37.838 -45.527 0.00 0.00 0.025 A ATOM 4 C UNL d 1 40.925 -38.457 -45.902 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 38.623 -35.962 -47.683 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 37.444 -36.950 -45.855 0.00 0.00 0.089 A ATOM 7 C UNL d 1 39.745 -36.724 -47.286 0.00 0.00 0.020 A ATOM 8 C UNL d 1 38.472 -38.853 -44.524 0.00 0.00 0.051 A ATOM 9 C UNL d 1 40.814 -39.396 -44.864 0.00 0.00 0.107 A ATOM 10 C UNL d 1 39.608 -39.605 -44.201 0.00 0.00 0.113 A ATOM 11 C UNL d 1 38.883 -35.050 -48.862 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 36.201 -35.237 -47.301 0.00 0.00 0.017 A ATOM 13 C UNL d 1 35.789 -34.118 -46.555 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 34.647 -33.387 -46.949 0.00 0.00 0.020 A ATOM 15 C UNL d 1 36.499 -33.545 -45.352 0.00 0.00 0.049 C ATOM 16 C UNL d 1 33.788 -33.732 -48.014 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 34.139 -34.901 -48.747 0.00 0.00 0.025 A ATOM 18 C UNL d 1 32.616 -32.956 -48.354 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 35.381 -35.555 -48.417 0.00 0.00 0.089 A ATOM 20 C UNL d 1 33.244 -35.331 -49.777 0.00 0.00 0.051 A ATOM 21 C UNL d 1 32.119 -34.579 -50.105 0.00 0.00 0.113 A ATOM 22 C UNL d 1 31.821 -33.403 -49.421 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 35.806 -36.523 -49.308 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 36.706 -36.323 -49.618 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 33.409 -36.650 -50.443 0.00 0.00 0.273 C ATOM 26 O UNL d 1 33.880 -36.801 -51.564 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 31.232 -34.986 -51.069 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 31.699 -35.679 -51.576 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 30.680 -32.786 -49.872 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 30.868 -32.243 -50.649 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 32.228 -31.705 -47.552 0.00 0.00 0.014 C ATOM 32 C UNL d 1 31.206 -31.974 -46.441 0.00 0.00 0.015 C ATOM 33 C UNL d 1 33.456 -30.920 -47.078 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 36.370 -36.969 -44.982 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 36.682 -36.969 -44.061 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 37.192 -39.245 -43.889 0.00 0.00 0.273 C ATOM 37 O UNL d 1 36.976 -39.203 -42.684 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 42.241 -38.295 -46.677 0.00 0.00 0.014 C ATOM 39 C UNL d 1 43.434 -37.911 -45.793 0.00 0.00 0.015 C ATOM 40 C UNL d 1 42.519 -39.490 -47.595 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 39.569 -40.611 -43.270 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 39.134 -40.218 -42.488 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 41.823 -40.223 -44.430 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 41.607 -40.607 -43.570 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11