REMARK VINA RESULT: -5.2 3.540 5.536 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 43.295 63.702 57.687 0.00 0.00 0.017 A ATOM 2 C UNL d 1 45.535 62.151 58.771 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 45.413 62.330 57.364 0.00 0.00 0.025 A ATOM 4 C UNL d 1 46.622 61.380 59.335 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 43.484 63.567 59.075 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 44.246 63.022 56.876 0.00 0.00 0.089 A ATOM 7 C UNL d 1 44.545 62.773 59.567 0.00 0.00 0.020 A ATOM 8 C UNL d 1 46.443 61.796 56.530 0.00 0.00 0.051 A ATOM 9 C UNL d 1 47.568 60.832 58.453 0.00 0.00 0.107 A ATOM 10 C UNL d 1 47.492 61.051 57.080 0.00 0.00 0.113 A ATOM 11 C UNL d 1 42.595 64.146 60.153 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 42.166 64.504 57.095 0.00 0.00 0.017 A ATOM 13 C UNL d 1 40.939 63.930 56.715 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 39.911 64.742 56.188 0.00 0.00 0.020 A ATOM 15 C UNL d 1 40.556 62.478 56.868 0.00 0.00 0.049 C ATOM 16 C UNL d 1 40.025 66.121 55.912 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 41.280 66.720 56.221 0.00 0.00 0.025 A ATOM 18 C UNL d 1 38.943 66.896 55.347 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 42.269 65.905 56.884 0.00 0.00 0.089 A ATOM 20 C UNL d 1 41.462 68.096 55.874 0.00 0.00 0.051 A ATOM 21 C UNL d 1 40.416 68.839 55.335 0.00 0.00 0.113 A ATOM 22 C UNL d 1 39.174 68.258 55.095 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 43.363 66.582 57.391 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 43.086 67.433 57.771 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 42.798 68.743 55.954 0.00 0.00 0.273 C ATOM 26 O UNL d 1 43.078 69.649 56.729 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 40.576 70.151 54.967 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 39.686 70.550 55.033 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 38.257 69.132 54.564 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 38.700 69.896 54.172 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 37.596 66.247 54.998 0.00 0.00 0.014 C ATOM 32 C UNL d 1 37.597 65.503 53.657 0.00 0.00 0.015 C ATOM 33 C UNL d 1 37.037 65.417 56.159 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 44.037 62.958 55.510 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 43.367 63.607 55.239 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 46.521 62.119 55.086 0.00 0.00 0.273 C ATOM 37 O UNL d 1 47.422 62.767 54.569 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 46.766 61.196 60.853 0.00 0.00 0.014 C ATOM 39 C UNL d 1 46.773 59.729 61.298 0.00 0.00 0.015 C ATOM 40 C UNL d 1 47.927 62.015 61.426 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 48.513 60.560 56.308 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 48.950 61.349 55.932 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 48.663 60.088 58.824 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 48.409 59.380 59.430 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11