REMARK VINA RESULT: -4.5 4.149 6.916 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 33.408 -33.533 -46.325 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 35.588 -32.421 -50.920 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 37.960 -35.907 -45.974 0.00 0.00 0.164 C ATOM 4 C UNL d 1 39.764 -36.316 -47.729 0.00 0.00 0.127 C ATOM 5 C UNL d 1 39.459 -35.910 -46.282 0.00 0.00 0.083 C ATOM 6 C UNL d 1 39.227 -35.205 -48.633 0.00 0.00 0.088 C ATOM 7 C UNL d 1 37.150 -35.286 -47.119 0.00 0.00 0.014 A ATOM 8 C UNL d 1 37.771 -34.874 -48.324 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 35.790 -34.956 -46.918 0.00 0.00 0.090 A ATOM 10 C UNL d 1 37.047 -34.087 -49.235 0.00 0.00 0.088 A ATOM 11 C UNL d 1 35.080 -34.128 -47.816 0.00 0.00 0.066 A ATOM 12 C UNL d 1 35.713 -33.710 -48.983 0.00 0.00 0.066 A ATOM 13 C UNL d 1 33.734 -33.579 -47.502 0.00 0.00 0.200 C ATOM 14 C UNL d 1 34.997 -32.853 -49.936 0.00 0.00 0.197 C ATOM 15 C UNL d 1 32.889 -32.935 -48.546 0.00 0.00 0.062 A ATOM 16 C UNL d 1 33.564 -32.545 -49.721 0.00 0.00 0.032 A ATOM 17 C UNL d 1 31.518 -32.606 -48.431 0.00 0.00 0.083 A ATOM 18 C UNL d 1 32.920 -31.822 -50.742 0.00 0.00 0.017 A ATOM 19 C UNL d 1 30.901 -31.882 -49.477 0.00 0.00 0.038 A ATOM 20 C UNL d 1 31.586 -31.483 -50.617 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 37.434 -37.201 -45.584 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 37.966 -37.732 -44.345 0.00 0.00 0.263 C ATOM 23 O UNL d 1 39.365 -38.049 -44.431 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 39.698 -39.257 -45.125 0.00 0.00 0.151 C ATOM 25 C UNL d 1 38.966 -40.471 -44.519 0.00 0.00 0.179 C ATOM 26 C UNL d 1 41.216 -39.430 -45.061 0.00 0.00 0.042 C ATOM 27 C UNL d 1 37.453 -40.182 -44.549 0.00 0.00 0.253 C ATOM 28 C UNL d 1 37.173 -38.905 -43.756 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 39.374 -40.717 -43.162 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 38.578 -40.948 -42.649 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 36.660 -41.279 -43.983 0.00 0.00 0.085 N ATOM 32 H UNL d 1 36.964 -42.161 -44.398 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 36.904 -41.369 -42.991 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 41.294 -36.447 -47.857 0.00 0.00 0.184 C ATOM 35 O UNL d 1 42.042 -36.382 -46.871 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 41.901 -36.632 -49.241 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 41.468 -37.870 -49.803 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 40.884 -38.284 -49.136 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 39.153 -37.554 -48.090 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 38.911 -37.558 -49.035 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 35.155 -35.470 -45.816 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 35.729 -35.345 -45.038 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 37.720 -33.661 -50.354 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 37.191 -32.954 -50.792 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 30.569 -32.845 -47.481 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 30.181 -31.916 -46.492 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11