REMARK VINA RESULT: -2.9 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 1 112.309 86.530 53.015 0.00 0.00 0.017 A ATOM 2 C UNL d 1 112.388 87.846 50.396 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 111.640 88.428 51.458 0.00 0.00 0.025 A ATOM 4 C UNL d 1 112.436 88.466 49.088 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 113.096 86.020 51.967 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 111.558 87.696 52.698 0.00 0.00 0.089 A ATOM 7 C UNL d 1 113.077 86.649 50.701 0.00 0.00 0.020 A ATOM 8 C UNL d 1 111.005 89.685 51.219 0.00 0.00 0.051 A ATOM 9 C UNL d 1 111.739 89.671 48.905 0.00 0.00 0.107 A ATOM 10 C UNL d 1 111.053 90.280 49.953 0.00 0.00 0.113 A ATOM 11 C UNL d 1 113.950 84.773 52.022 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 112.257 85.890 54.378 0.00 0.00 0.017 A ATOM 13 C UNL d 1 113.006 86.362 55.471 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 112.895 85.733 56.730 0.00 0.00 0.020 A ATOM 15 C UNL d 1 113.919 87.564 55.466 0.00 0.00 0.049 C ATOM 16 C UNL d 1 112.138 84.571 56.993 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 111.422 84.026 55.889 0.00 0.00 0.025 A ATOM 18 C UNL d 1 112.084 83.955 58.301 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 111.440 84.760 54.648 0.00 0.00 0.089 A ATOM 20 C UNL d 1 110.716 82.800 56.097 0.00 0.00 0.051 A ATOM 21 C UNL d 1 110.661 82.213 57.358 0.00 0.00 0.113 A ATOM 22 C UNL d 1 111.315 82.789 58.444 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 110.537 84.340 53.689 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 110.397 85.040 53.029 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 110.127 82.045 54.960 0.00 0.00 0.273 C ATOM 26 O UNL d 1 110.453 80.906 54.647 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 110.014 81.023 57.575 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 110.715 80.388 57.825 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 111.157 82.084 59.612 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 111.391 82.628 60.376 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 112.870 84.533 59.487 0.00 0.00 0.014 C ATOM 32 C UNL d 1 114.333 84.077 59.540 0.00 0.00 0.015 C ATOM 33 C UNL d 1 112.696 86.050 59.610 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 110.628 88.163 53.610 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 111.016 88.865 54.159 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 110.395 90.470 52.317 0.00 0.00 0.273 C ATOM 37 O UNL d 1 109.380 91.147 52.204 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 113.253 87.850 47.944 0.00 0.00 0.014 C ATOM 39 C UNL d 1 112.715 86.498 47.459 0.00 0.00 0.015 C ATOM 40 C UNL d 1 113.504 88.850 46.811 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 110.486 91.503 49.706 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 110.023 91.402 48.851 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 111.693 90.392 47.735 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 111.160 91.190 47.843 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11