REMARK VINA RESULT: -3.7 2.811 4.047 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 10.824 47.073 22.392 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 15.114 46.939 25.338 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 10.334 42.566 24.827 0.00 0.00 0.164 C ATOM 4 C UNL d 1 11.971 41.283 26.301 0.00 0.00 0.127 C ATOM 5 C UNL d 1 10.522 41.743 26.102 0.00 0.00 0.083 C ATOM 6 C UNL d 1 12.810 42.534 26.568 0.00 0.00 0.088 C ATOM 7 C UNL d 1 11.477 43.568 24.627 0.00 0.00 0.014 A ATOM 8 C UNL d 1 12.588 43.605 25.506 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 11.355 44.590 23.657 0.00 0.00 0.090 A ATOM 10 C UNL d 1 13.478 44.691 25.441 0.00 0.00 0.088 A ATOM 11 C UNL d 1 12.228 45.700 23.624 0.00 0.00 0.066 A ATOM 12 C UNL d 1 13.299 45.735 24.513 0.00 0.00 0.066 A ATOM 13 C UNL d 1 11.972 46.892 22.773 0.00 0.00 0.200 C ATOM 14 C UNL d 1 14.223 46.875 24.498 0.00 0.00 0.197 C ATOM 15 C UNL d 1 13.016 47.930 22.545 0.00 0.00 0.062 A ATOM 16 C UNL d 1 14.095 47.918 23.454 0.00 0.00 0.032 A ATOM 17 C UNL d 1 12.980 48.959 21.576 0.00 0.00 0.083 A ATOM 18 C UNL d 1 15.094 48.909 23.433 0.00 0.00 0.017 A ATOM 19 C UNL d 1 14.001 49.936 21.581 0.00 0.00 0.038 A ATOM 20 C UNL d 1 15.043 49.925 22.499 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 10.104 41.768 23.637 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 11.242 40.987 23.193 0.00 0.00 0.263 C ATOM 23 O UNL d 1 12.161 41.747 22.393 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 11.766 41.995 21.039 0.00 0.00 0.151 C ATOM 25 C UNL d 1 11.457 40.680 20.296 0.00 0.00 0.179 C ATOM 26 C UNL d 1 12.894 42.771 20.357 0.00 0.00 0.042 C ATOM 27 C UNL d 1 10.372 39.926 21.089 0.00 0.00 0.253 C ATOM 28 C UNL d 1 10.882 39.664 22.506 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 12.623 39.847 20.179 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 12.505 39.277 19.395 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 10.009 38.647 20.468 0.00 0.00 0.085 N ATOM 32 H UNL d 1 9.773 37.975 21.200 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 9.132 38.779 19.955 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 11.990 40.331 27.512 0.00 0.00 0.184 C ATOM 35 O UNL d 1 12.439 40.680 28.612 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 11.467 38.911 27.337 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 12.522 38.052 26.909 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 12.142 37.151 26.869 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 12.490 40.603 25.158 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 12.184 39.677 25.138 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 10.358 44.477 22.722 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 10.553 43.714 22.147 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 14.497 44.708 26.362 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 14.530 45.600 26.782 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 12.133 49.255 20.549 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 10.952 50.015 20.685 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11