REMARK VINA RESULT: -4.0 1.354 9.291 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 12.227 44.945 22.871 0.00 0.00 0.017 A ATOM 2 C UNL d 1 12.693 47.593 21.703 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 13.702 46.594 21.613 0.00 0.00 0.025 A ATOM 4 C UNL d 1 12.899 48.915 21.147 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 11.224 45.932 22.879 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 13.460 45.339 22.282 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.495 47.215 22.351 0.00 0.00 0.020 A ATOM 8 C UNL d 1 14.891 46.905 20.886 0.00 0.00 0.051 A ATOM 9 C UNL d 1 14.116 49.173 20.496 0.00 0.00 0.107 A ATOM 10 C UNL d 1 15.086 48.184 20.351 0.00 0.00 0.113 A ATOM 11 C UNL d 1 9.844 45.791 23.481 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 12.017 43.569 23.446 0.00 0.00 0.017 A ATOM 13 C UNL d 1 11.485 42.503 22.699 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 11.336 41.229 23.290 0.00 0.00 0.020 A ATOM 15 C UNL d 1 11.090 42.553 21.243 0.00 0.00 0.049 C ATOM 16 C UNL d 1 11.598 40.926 24.642 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 12.072 42.002 25.446 0.00 0.00 0.025 A ATOM 18 C UNL d 1 11.400 39.605 25.198 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 12.347 43.258 24.792 0.00 0.00 0.089 A ATOM 20 C UNL d 1 12.264 41.753 26.841 0.00 0.00 0.051 A ATOM 21 C UNL d 1 12.078 40.480 27.371 0.00 0.00 0.113 A ATOM 22 C UNL d 1 11.674 39.420 26.563 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 13.039 44.188 25.546 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 13.503 43.749 26.279 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 12.542 42.861 27.793 0.00 0.00 0.273 C ATOM 26 O UNL d 1 11.682 43.439 28.446 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 12.228 40.224 28.711 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 11.380 39.832 28.997 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 11.541 38.235 27.244 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 12.397 37.934 27.577 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 10.873 38.448 24.336 0.00 0.00 0.014 C ATOM 32 C UNL d 1 9.428 38.047 24.657 0.00 0.00 0.015 C ATOM 33 C UNL d 1 11.128 38.679 22.843 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 14.552 44.494 22.385 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 14.973 44.377 21.517 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 15.893 45.867 20.551 0.00 0.00 0.273 C ATOM 37 O UNL d 1 15.741 45.009 19.689 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 11.809 49.993 21.228 0.00 0.00 0.014 C ATOM 39 C UNL d 1 10.407 49.480 20.880 0.00 0.00 0.015 C ATOM 40 C UNL d 1 11.866 50.771 22.547 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 16.200 48.499 19.616 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 16.944 48.078 20.089 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 14.464 50.365 19.905 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 13.688 50.806 19.537 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11