REMARK VINA RESULT: -5.1 1.994 9.135 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 10.404 -15.453 8.194 0.00 0.00 0.017 A ATOM 2 C UNL d 1 12.308 -13.501 9.272 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 10.953 -13.124 9.061 0.00 0.00 0.025 A ATOM 4 C UNL d 1 13.275 -12.557 9.792 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 11.733 -15.814 8.483 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 10.078 -14.091 8.444 0.00 0.00 0.089 A ATOM 7 C UNL d 1 12.641 -14.839 8.956 0.00 0.00 0.020 A ATOM 8 C UNL d 1 10.554 -11.810 9.454 0.00 0.00 0.051 A ATOM 9 C UNL d 1 12.829 -11.262 10.102 0.00 0.00 0.107 A ATOM 10 C UNL d 1 11.493 -10.899 9.954 0.00 0.00 0.113 A ATOM 11 C UNL d 1 12.350 -17.178 8.267 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 9.395 -16.432 7.656 0.00 0.00 0.017 A ATOM 13 C UNL d 1 8.720 -17.358 8.472 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 7.766 -18.235 7.910 0.00 0.00 0.020 A ATOM 15 C UNL d 1 8.865 -17.489 9.969 0.00 0.00 0.049 C ATOM 16 C UNL d 1 7.470 -18.338 6.534 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 8.188 -17.462 5.671 0.00 0.00 0.025 A ATOM 18 C UNL d 1 6.499 -19.276 6.013 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 9.056 -16.483 6.277 0.00 0.00 0.089 A ATOM 20 C UNL d 1 7.978 -17.600 4.263 0.00 0.00 0.051 A ATOM 21 C UNL d 1 7.040 -18.499 3.766 0.00 0.00 0.113 A ATOM 22 C UNL d 1 6.299 -19.308 4.624 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 9.531 -15.496 5.433 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 8.800 -15.110 4.922 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 8.838 -16.888 3.280 0.00 0.00 0.273 C ATOM 26 O UNL d 1 8.438 -16.009 2.526 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 6.843 -18.670 2.419 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 6.267 -17.929 2.145 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 5.418 -20.134 3.970 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 4.527 -20.042 4.335 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 5.738 -20.232 6.943 0.00 0.00 0.014 C ATOM 32 C UNL d 1 4.219 -20.017 6.942 0.00 0.00 0.015 C ATOM 33 C UNL d 1 6.150 -21.693 6.731 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 8.849 -13.609 8.029 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 8.253 -13.503 8.789 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 9.130 -11.403 9.479 0.00 0.00 0.273 C ATOM 37 O UNL d 1 8.632 -10.576 8.726 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 14.736 -12.963 10.035 0.00 0.00 0.014 C ATOM 39 C UNL d 1 14.892 -14.206 10.918 0.00 0.00 0.015 C ATOM 40 C UNL d 1 15.539 -13.032 8.732 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 11.132 -9.646 10.374 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 10.669 -9.245 9.613 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 13.612 -10.253 10.612 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 13.157 -9.795 11.331 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11