REMARK VINA RESULT: -4.9 2.351 4.851 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_19 REMARK 2 A between atoms: C_13 and O_1 REMARK 3 A between atoms: C_14 and O_3 REMARK 4 A between atoms: O_4 and C_22 REMARK 5 A between atoms: O_5 and C_24 REMARK 6 A between atoms: O_6 and C_26 REMARK 7 A between atoms: O_8 and C_30 REMARK 8 A between atoms: O_11 and C_35 REMARK 9 A between atoms: N_12 and C_21 REMARK 10 A between atoms: C_14 and C_25 REMARK 11 A between atoms: C_25 and C_30 ROOT ATOM 1 O UNL d 1 40.476 68.647 56.109 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 44.218 69.472 52.584 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 43.523 64.554 56.775 0.00 0.00 0.164 C ATOM 4 C UNL d 1 45.507 63.716 55.412 0.00 0.00 0.127 C ATOM 5 C UNL d 1 44.936 63.969 56.811 0.00 0.00 0.083 C ATOM 6 C UNL d 1 45.713 65.081 54.753 0.00 0.00 0.088 C ATOM 7 C UNL d 1 43.387 65.637 55.697 0.00 0.00 0.014 A ATOM 8 C UNL d 1 44.455 65.939 54.817 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 42.246 66.472 55.681 0.00 0.00 0.090 A ATOM 10 C UNL d 1 44.382 67.096 54.022 0.00 0.00 0.088 A ATOM 11 C UNL d 1 42.196 67.656 54.912 0.00 0.00 0.066 A ATOM 12 C UNL d 1 43.265 67.953 54.071 0.00 0.00 0.066 A ATOM 13 C UNL d 1 41.112 68.662 55.064 0.00 0.00 0.200 C ATOM 14 C UNL d 1 43.238 69.175 53.259 0.00 0.00 0.197 C ATOM 15 C UNL d 1 40.922 69.764 54.079 0.00 0.00 0.062 A ATOM 16 C UNL d 1 42.021 70.019 53.233 0.00 0.00 0.032 A ATOM 17 C UNL d 1 39.798 70.616 53.979 0.00 0.00 0.083 A ATOM 18 C UNL d 1 42.029 71.102 52.334 0.00 0.00 0.017 A ATOM 19 C UNL d 1 39.839 71.693 53.064 0.00 0.00 0.038 A ATOM 20 C UNL d 1 40.938 71.947 52.255 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 42.473 63.558 56.671 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 41.580 63.486 57.810 0.00 0.00 0.263 C ATOM 23 O UNL d 1 42.201 63.916 59.032 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 43.102 62.986 59.643 0.00 0.00 0.151 C ATOM 25 C UNL d 1 42.417 61.630 59.904 0.00 0.00 0.179 C ATOM 26 C UNL d 1 43.611 63.613 60.943 0.00 0.00 0.042 C ATOM 27 C UNL d 1 41.865 61.108 58.563 0.00 0.00 0.253 C ATOM 28 C UNL d 1 40.883 62.133 57.995 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 41.337 61.750 60.846 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 41.546 61.184 61.613 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 41.180 59.817 58.702 0.00 0.00 0.085 N ATOM 32 H UNL d 1 40.427 59.762 58.014 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 41.832 59.078 58.422 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 46.847 62.975 55.588 0.00 0.00 0.184 C ATOM 35 O UNL d 1 47.024 62.150 56.495 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 47.991 63.292 54.635 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 49.066 63.901 55.348 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 49.584 63.170 55.741 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 44.636 62.928 54.600 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 44.090 62.336 55.152 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 41.161 66.100 56.433 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 40.797 66.893 56.868 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 45.474 67.375 53.237 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 45.165 67.806 52.406 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 38.583 70.648 54.597 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 37.600 69.642 54.473 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11