REMARK VINA RESULT: -3.2 1.678 2.215 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 15.895 -28.843 -2.983 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 16.156 -32.293 -6.873 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 19.720 -31.926 -1.451 0.00 0.00 0.164 C ATOM 4 C UNL d 1 20.550 -34.144 -2.394 0.00 0.00 0.127 C ATOM 5 C UNL d 1 20.937 -32.778 -1.816 0.00 0.00 0.083 C ATOM 6 C UNL d 1 19.885 -33.890 -3.749 0.00 0.00 0.088 C ATOM 7 C UNL d 1 18.630 -32.008 -2.526 0.00 0.00 0.014 A ATOM 8 C UNL d 1 18.763 -32.864 -3.648 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 17.548 -31.098 -2.501 0.00 0.00 0.090 A ATOM 10 C UNL d 1 17.873 -32.724 -4.727 0.00 0.00 0.088 A ATOM 11 C UNL d 1 16.683 -30.932 -3.606 0.00 0.00 0.066 A ATOM 12 C UNL d 1 16.844 -31.763 -4.711 0.00 0.00 0.066 A ATOM 13 C UNL d 1 15.698 -29.822 -3.689 0.00 0.00 0.200 C ATOM 14 C UNL d 1 15.956 -31.615 -5.871 0.00 0.00 0.197 C ATOM 15 C UNL d 1 14.621 -29.806 -4.718 0.00 0.00 0.062 A ATOM 16 C UNL d 1 14.811 -30.677 -5.812 0.00 0.00 0.032 A ATOM 17 C UNL d 1 13.495 -28.951 -4.743 0.00 0.00 0.083 A ATOM 18 C UNL d 1 13.937 -30.685 -6.914 0.00 0.00 0.017 A ATOM 19 C UNL d 1 12.635 -28.988 -5.865 0.00 0.00 0.038 A ATOM 20 C UNL d 1 12.850 -29.833 -6.945 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 19.189 -32.189 -0.126 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 19.464 -31.163 0.860 0.00 0.00 0.263 C ATOM 23 O UNL d 1 20.708 -30.484 0.624 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 21.896 -31.196 0.990 0.00 0.00 0.151 C ATOM 25 C UNL d 1 21.857 -31.627 2.470 0.00 0.00 0.179 C ATOM 26 C UNL d 1 23.092 -30.287 0.705 0.00 0.00 0.042 C ATOM 27 C UNL d 1 20.584 -32.469 2.689 0.00 0.00 0.253 C ATOM 28 C UNL d 1 19.362 -31.630 2.317 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 21.834 -30.494 3.356 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 20.910 -30.355 3.638 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 20.445 -32.925 4.077 0.00 0.00 0.085 N ATOM 32 H UNL d 1 20.458 -32.115 4.699 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 19.504 -33.315 4.191 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 21.848 -34.960 -2.555 0.00 0.00 0.184 C ATOM 35 O UNL d 1 22.407 -35.497 -1.589 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 22.471 -35.081 -3.939 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 23.570 -34.180 -4.060 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 23.218 -33.290 -3.858 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 19.645 -34.858 -1.552 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 19.882 -34.742 -0.613 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 17.343 -30.368 -1.358 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 18.103 -29.771 -1.228 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 18.091 -33.534 -5.814 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 17.632 -33.145 -6.596 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 12.992 -28.031 -3.870 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 12.133 -26.973 -4.236 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11