REMARK VINA RESULT: -2.5 2.157 3.492 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 1 111.857 85.574 53.396 0.00 0.00 0.017 A ATOM 2 C UNL d 1 112.441 87.377 51.160 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 112.388 85.972 50.940 0.00 0.00 0.025 A ATOM 4 C UNL d 1 112.739 88.292 50.078 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 111.845 86.971 53.564 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 112.188 85.123 52.089 0.00 0.00 0.089 A ATOM 7 C UNL d 1 112.178 87.814 52.479 0.00 0.00 0.020 A ATOM 8 C UNL d 1 112.557 85.497 49.604 0.00 0.00 0.051 A ATOM 9 C UNL d 1 112.953 87.753 48.799 0.00 0.00 0.107 A ATOM 10 C UNL d 1 112.846 86.385 48.561 0.00 0.00 0.113 A ATOM 11 C UNL d 1 111.571 87.709 54.856 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 111.545 84.619 54.518 0.00 0.00 0.017 A ATOM 13 C UNL d 1 112.027 84.796 55.828 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 111.678 83.877 56.841 0.00 0.00 0.020 A ATOM 15 C UNL d 1 112.871 85.950 56.311 0.00 0.00 0.049 C ATOM 16 C UNL d 1 110.931 82.696 56.645 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 110.486 82.450 55.314 0.00 0.00 0.025 A ATOM 18 C UNL d 1 110.627 81.777 57.720 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 110.735 83.467 54.323 0.00 0.00 0.089 A ATOM 20 C UNL d 1 109.802 81.220 55.061 0.00 0.00 0.051 A ATOM 21 C UNL d 1 109.507 80.341 56.098 0.00 0.00 0.113 A ATOM 22 C UNL d 1 109.893 80.623 57.407 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 110.073 83.309 53.120 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 109.122 83.185 53.273 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 109.497 80.776 53.675 0.00 0.00 0.273 C ATOM 26 O UNL d 1 109.745 79.658 53.240 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 108.878 79.142 55.875 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 109.153 78.563 56.613 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 109.521 79.653 58.305 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 109.386 78.806 57.859 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 111.121 82.035 59.151 0.00 0.00 0.014 C ATOM 32 C UNL d 1 112.564 81.577 59.399 0.00 0.00 0.015 C ATOM 33 C UNL d 1 110.846 83.471 59.607 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 112.391 83.771 51.877 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 113.137 83.631 51.270 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 112.300 84.083 49.243 0.00 0.00 0.273 C ATOM 37 O UNL d 1 111.185 83.594 49.109 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 112.783 89.810 50.306 0.00 0.00 0.014 C ATOM 39 C UNL d 1 111.398 90.462 50.393 0.00 0.00 0.015 C ATOM 40 C UNL d 1 113.712 90.192 51.463 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 112.975 85.961 47.264 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 112.405 86.560 46.742 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 113.234 88.480 47.666 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 114.122 88.857 47.711 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11