REMARK VINA RESULT: -2.6 2.144 9.107 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 1 111.547 84.633 54.506 0.00 0.00 0.017 A ATOM 2 C UNL d 1 110.942 82.714 56.639 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 110.481 82.469 55.316 0.00 0.00 0.025 A ATOM 4 C UNL d 1 110.649 81.792 57.716 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 112.049 84.809 55.809 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 110.726 83.487 54.323 0.00 0.00 0.089 A ATOM 7 C UNL d 1 111.701 83.893 56.828 0.00 0.00 0.020 A ATOM 8 C UNL d 1 109.790 81.245 55.063 0.00 0.00 0.051 A ATOM 9 C UNL d 1 109.913 80.635 57.410 0.00 0.00 0.107 A ATOM 10 C UNL d 1 109.508 80.357 56.108 0.00 0.00 0.113 A ATOM 11 C UNL d 1 112.905 85.963 56.283 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 111.851 85.589 53.382 0.00 0.00 0.017 A ATOM 13 C UNL d 1 111.834 86.986 53.544 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 112.153 87.828 52.456 0.00 0.00 0.020 A ATOM 15 C UNL d 1 111.556 87.726 54.830 0.00 0.00 0.049 C ATOM 16 C UNL d 1 112.415 87.391 51.140 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 112.371 85.984 50.926 0.00 0.00 0.025 A ATOM 18 C UNL d 1 112.710 88.305 50.058 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 112.180 85.135 52.077 0.00 0.00 0.089 A ATOM 20 C UNL d 1 112.545 85.510 49.588 0.00 0.00 0.051 A ATOM 21 C UNL d 1 112.834 86.392 48.551 0.00 0.00 0.113 A ATOM 22 C UNL d 1 112.936 87.762 48.784 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 112.397 83.785 51.870 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 111.932 83.262 52.545 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 112.299 84.088 49.233 0.00 0.00 0.273 C ATOM 26 O UNL d 1 111.185 83.590 49.118 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 112.976 85.965 47.255 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 113.831 85.492 47.230 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 113.228 88.486 47.654 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 114.173 88.687 47.611 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 112.740 89.824 50.285 0.00 0.00 0.014 C ATOM 32 C UNL d 1 111.349 90.461 50.389 0.00 0.00 0.015 C ATOM 33 C UNL d 1 113.682 90.219 51.427 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 110.052 83.330 53.124 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 110.303 84.031 52.500 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 109.469 80.801 53.687 0.00 0.00 0.273 C ATOM 37 O UNL d 1 110.287 80.345 52.897 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 111.157 82.045 59.143 0.00 0.00 0.014 C ATOM 39 C UNL d 1 112.608 81.607 59.368 0.00 0.00 0.015 C ATOM 40 C UNL d 1 110.869 83.475 59.612 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 108.881 79.157 55.888 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 109.519 78.627 55.371 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 109.562 79.656 58.309 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 108.673 79.325 58.128 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11