REMARK VINA RESULT: -3.9 1.374 1.464 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 39.610 -35.160 -48.285 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 34.980 -35.476 -45.925 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 39.599 -40.005 -46.549 0.00 0.00 0.164 C ATOM 4 C UNL d 1 37.986 -41.209 -44.985 0.00 0.00 0.127 C ATOM 5 C UNL d 1 38.819 -41.290 -46.269 0.00 0.00 0.083 C ATOM 6 C UNL d 1 36.881 -40.178 -45.226 0.00 0.00 0.088 C ATOM 7 C UNL d 1 38.748 -38.758 -46.280 0.00 0.00 0.014 A ATOM 8 C UNL d 1 37.439 -38.859 -45.747 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 39.196 -37.492 -46.723 0.00 0.00 0.090 A ATOM 10 C UNL d 1 36.606 -37.726 -45.753 0.00 0.00 0.088 A ATOM 11 C UNL d 1 38.341 -36.368 -46.766 0.00 0.00 0.066 A ATOM 12 C UNL d 1 37.049 -36.491 -46.263 0.00 0.00 0.066 A ATOM 13 C UNL d 1 38.722 -35.102 -47.447 0.00 0.00 0.200 C ATOM 14 C UNL d 1 36.142 -35.338 -46.293 0.00 0.00 0.197 C ATOM 15 C UNL d 1 37.937 -33.849 -47.264 0.00 0.00 0.062 A ATOM 16 C UNL d 1 36.641 -34.014 -46.733 0.00 0.00 0.032 A ATOM 17 C UNL d 1 38.332 -32.547 -47.649 0.00 0.00 0.083 A ATOM 18 C UNL d 1 35.745 -32.936 -46.613 0.00 0.00 0.017 A ATOM 19 C UNL d 1 37.408 -31.486 -47.512 0.00 0.00 0.038 A ATOM 20 C UNL d 1 36.126 -31.669 -47.011 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 40.883 -39.934 -45.877 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 41.994 -40.497 -46.618 0.00 0.00 0.263 C ATOM 23 O UNL d 1 42.581 -39.562 -47.537 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 41.854 -39.326 -48.749 0.00 0.00 0.151 C ATOM 25 C UNL d 1 41.588 -40.642 -49.507 0.00 0.00 0.179 C ATOM 26 C UNL d 1 42.666 -38.347 -49.598 0.00 0.00 0.042 C ATOM 27 C UNL d 1 40.840 -41.598 -48.557 0.00 0.00 0.253 C ATOM 28 C UNL d 1 41.693 -41.831 -47.311 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 42.809 -41.265 -49.941 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 42.581 -41.926 -50.621 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 40.543 -42.892 -49.182 0.00 0.00 0.085 N ATOM 32 H UNL d 1 39.609 -42.859 -49.594 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 41.169 -43.009 -49.986 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 37.395 -42.610 -44.730 0.00 0.00 0.184 C ATOM 35 O UNL d 1 37.266 -43.067 -43.586 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 36.988 -43.462 -45.924 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 35.567 -43.577 -45.980 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 35.221 -43.078 -45.213 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 38.762 -40.812 -43.854 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 38.262 -40.190 -43.293 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 40.506 -37.369 -47.110 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 40.790 -38.205 -47.523 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 35.326 -37.900 -45.286 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 35.220 -38.836 -44.995 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 39.487 -32.024 -48.153 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 39.822 -32.011 -49.524 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11