REMARK VINA RESULT: -6.1 2.099 5.708 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 1 110.581 84.244 52.840 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 113.794 87.794 50.796 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 112.472 86.547 57.036 0.00 0.00 0.164 C ATOM 4 C UNL d 1 114.361 88.238 57.298 0.00 0.00 0.127 C ATOM 5 C UNL d 1 112.945 87.830 57.720 0.00 0.00 0.083 C ATOM 6 C UNL d 1 114.296 88.636 55.822 0.00 0.00 0.088 C ATOM 7 C UNL d 1 112.851 86.526 55.550 0.00 0.00 0.014 A ATOM 8 C UNL d 1 113.628 87.561 54.973 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 112.282 85.556 54.693 0.00 0.00 0.090 A ATOM 10 C UNL d 1 113.738 87.637 53.573 0.00 0.00 0.088 A ATOM 11 C UNL d 1 112.360 85.662 53.286 0.00 0.00 0.066 A ATOM 12 C UNL d 1 113.105 86.700 52.734 0.00 0.00 0.066 A ATOM 13 C UNL d 1 111.571 84.791 52.375 0.00 0.00 0.200 C ATOM 14 C UNL d 1 113.206 86.831 51.276 0.00 0.00 0.197 C ATOM 15 C UNL d 1 111.853 84.728 50.914 0.00 0.00 0.062 A ATOM 16 C UNL d 1 112.628 85.786 50.397 0.00 0.00 0.032 A ATOM 17 C UNL d 1 111.350 83.771 50.002 0.00 0.00 0.083 A ATOM 18 C UNL d 1 112.876 85.922 49.019 0.00 0.00 0.017 A ATOM 19 C UNL d 1 111.620 83.935 48.624 0.00 0.00 0.038 A ATOM 20 C UNL d 1 112.364 84.997 48.128 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 112.882 85.330 57.712 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 111.965 84.855 58.729 0.00 0.00 0.263 C ATOM 23 O UNL d 1 111.476 83.531 58.461 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 110.463 83.422 57.455 0.00 0.00 0.151 C ATOM 25 C UNL d 1 109.255 84.325 57.777 0.00 0.00 0.179 C ATOM 26 C UNL d 1 110.052 81.952 57.361 0.00 0.00 0.042 C ATOM 27 C UNL d 1 109.766 85.770 57.934 0.00 0.00 0.253 C ATOM 28 C UNL d 1 110.811 85.811 59.049 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 108.596 83.921 58.990 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 109.150 83.242 59.419 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 108.689 86.715 58.253 0.00 0.00 0.085 N ATOM 32 H UNL d 1 109.093 87.638 58.422 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 108.117 86.841 57.413 0.00 0.00 0.313 HD ENDBRANCH 27 31 ENDBRANCH 21 22 ENDBRANCH 3 21 BRANCH 4 34 ATOM 34 C UNL d 1 114.778 89.432 58.179 0.00 0.00 0.184 C ATOM 35 O UNL d 1 115.947 89.840 58.218 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 113.724 90.107 59.046 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 112.472 90.132 58.364 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 112.585 89.582 57.562 0.00 0.00 0.209 HD ENDBRANCH 36 37 ENDBRANCH 34 36 ENDBRANCH 4 34 BRANCH 4 39 ATOM 39 O UNL d 1 115.305 87.180 57.460 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 114.954 86.345 57.099 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 111.646 84.482 55.263 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 111.912 84.423 56.199 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 114.447 88.699 53.068 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 113.828 89.451 52.919 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 110.614 82.632 50.144 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 110.924 81.590 51.044 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11