REMARK VINA RESULT: -4.4 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 11.629 44.148 24.107 0.00 0.00 0.017 A ATOM 2 C UNL d 1 11.013 41.804 25.757 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 10.899 43.108 26.312 0.00 0.00 0.025 A ATOM 4 C UNL d 1 10.728 40.626 26.550 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 11.662 42.848 23.569 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 11.301 44.223 25.489 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.408 41.734 24.400 0.00 0.00 0.020 A ATOM 8 C UNL d 1 10.416 43.227 27.651 0.00 0.00 0.051 A ATOM 9 C UNL d 1 10.314 40.811 27.879 0.00 0.00 0.107 A ATOM 10 C UNL d 1 10.142 42.085 28.414 0.00 0.00 0.113 A ATOM 11 C UNL d 1 12.026 42.485 22.146 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 11.923 45.376 23.286 0.00 0.00 0.017 A ATOM 13 C UNL d 1 10.933 46.308 22.927 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 11.278 47.452 22.175 0.00 0.00 0.020 A ATOM 15 C UNL d 1 9.478 46.251 23.323 0.00 0.00 0.049 C ATOM 16 C UNL d 1 12.559 47.724 21.650 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 13.571 46.763 21.937 0.00 0.00 0.025 A ATOM 18 C UNL d 1 12.847 48.903 20.863 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 13.232 45.673 22.819 0.00 0.00 0.089 A ATOM 20 C UNL d 1 14.859 46.961 21.348 0.00 0.00 0.051 A ATOM 21 C UNL d 1 15.133 48.099 20.596 0.00 0.00 0.113 A ATOM 22 C UNL d 1 14.153 49.063 20.375 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 14.295 44.915 23.272 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 15.126 45.409 23.178 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 15.906 45.906 21.408 0.00 0.00 0.273 C ATOM 26 O UNL d 1 15.903 44.894 20.718 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 16.352 48.295 19.998 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 16.784 49.004 20.515 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 14.591 50.120 19.616 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 15.180 49.816 18.912 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 11.752 49.931 20.540 0.00 0.00 0.014 C ATOM 32 C UNL d 1 10.558 49.343 19.777 0.00 0.00 0.015 C ATOM 33 C UNL d 1 11.349 50.752 21.769 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 11.414 45.439 26.140 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 11.164 45.348 27.075 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 10.054 44.539 28.235 0.00 0.00 0.273 C ATOM 37 O UNL d 1 10.754 45.162 29.024 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 10.836 39.216 25.951 0.00 0.00 0.014 C ATOM 39 C UNL d 1 11.890 38.336 26.632 0.00 0.00 0.015 C ATOM 40 C UNL d 1 9.467 38.540 25.818 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 9.640 42.169 29.687 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 8.723 41.840 29.622 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 9.993 39.805 28.759 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 9.984 38.948 28.313 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11