REMARK VINA RESULT: -4.6 3.767 8.537 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 39.595 -38.875 -47.482 0.00 0.00 0.017 A ATOM 2 C UNL d 1 38.610 -41.628 -47.265 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 38.622 -40.789 -46.116 0.00 0.00 0.025 A ATOM 4 C UNL d 1 38.141 -42.996 -47.188 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 39.502 -39.707 -48.612 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 39.200 -39.475 -46.254 0.00 0.00 0.089 A ATOM 7 C UNL d 1 39.069 -41.045 -48.469 0.00 0.00 0.020 A ATOM 8 C UNL d 1 38.080 -41.310 -44.901 0.00 0.00 0.051 A ATOM 9 C UNL d 1 37.677 -43.463 -45.947 0.00 0.00 0.107 A ATOM 10 C UNL d 1 37.629 -42.633 -44.830 0.00 0.00 0.113 A ATOM 11 C UNL d 1 39.900 -39.336 -50.024 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 40.080 -37.451 -47.558 0.00 0.00 0.017 A ATOM 13 C UNL d 1 41.445 -37.112 -47.608 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 41.834 -35.758 -47.703 0.00 0.00 0.020 A ATOM 15 C UNL d 1 42.599 -38.085 -47.630 0.00 0.00 0.049 C ATOM 16 C UNL d 1 40.955 -34.655 -47.666 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 39.569 -34.962 -47.546 0.00 0.00 0.025 A ATOM 18 C UNL d 1 41.416 -33.286 -47.742 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 39.182 -36.351 -47.587 0.00 0.00 0.089 A ATOM 20 C UNL d 1 38.657 -33.868 -47.416 0.00 0.00 0.051 A ATOM 21 C UNL d 1 39.104 -32.553 -47.495 0.00 0.00 0.113 A ATOM 22 C UNL d 1 40.455 -32.266 -47.676 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 37.828 -36.593 -47.724 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 37.548 -37.296 -47.114 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 37.229 -34.091 -47.067 0.00 0.00 0.273 C ATOM 26 O UNL d 1 36.290 -33.831 -47.811 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 38.252 -31.488 -47.345 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 37.453 -31.720 -47.859 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 40.722 -30.920 -47.734 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 41.479 -30.746 -48.311 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 42.912 -32.955 -47.855 0.00 0.00 0.014 C ATOM 32 C UNL d 1 43.326 -32.425 -49.233 0.00 0.00 0.015 C ATOM 33 C UNL d 1 43.400 -32.085 -46.692 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 39.421 -38.790 -45.072 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 39.514 -37.838 -45.244 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 37.847 -40.446 -43.720 0.00 0.00 0.273 C ATOM 37 O UNL d 1 36.783 -39.897 -43.462 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 38.112 -43.901 -48.428 0.00 0.00 0.014 C ATOM 39 C UNL d 1 39.157 -45.022 -48.397 0.00 0.00 0.015 C ATOM 40 C UNL d 1 36.697 -44.391 -48.751 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 37.070 -43.146 -43.689 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 37.825 -43.341 -43.100 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 37.188 -44.726 -45.706 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 36.237 -44.763 -45.869 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11