REMARK VINA RESULT: -4.9 3.021 8.022 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 39.920 -40.862 -48.121 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 36.662 -40.771 -44.061 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 38.948 -35.834 -47.616 0.00 0.00 0.164 C ATOM 4 C UNL d 1 37.258 -34.603 -46.158 0.00 0.00 0.127 C ATOM 5 C UNL d 1 38.693 -34.639 -46.696 0.00 0.00 0.083 C ATOM 6 C UNL d 1 37.095 -35.803 -45.222 0.00 0.00 0.088 C ATOM 7 C UNL d 1 38.318 -37.118 -47.062 0.00 0.00 0.014 A ATOM 8 C UNL d 1 37.529 -37.104 -45.886 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 38.661 -38.369 -47.626 0.00 0.00 0.090 A ATOM 10 C UNL d 1 37.185 -38.324 -45.276 0.00 0.00 0.088 A ATOM 11 C UNL d 1 38.350 -39.589 -46.987 0.00 0.00 0.066 A ATOM 12 C UNL d 1 37.596 -39.558 -45.817 0.00 0.00 0.066 A ATOM 13 C UNL d 1 38.906 -40.892 -47.438 0.00 0.00 0.200 C ATOM 14 C UNL d 1 37.255 -40.811 -45.134 0.00 0.00 0.197 C ATOM 15 C UNL d 1 38.373 -42.188 -46.933 0.00 0.00 0.062 A ATOM 16 C UNL d 1 37.597 -42.111 -45.758 0.00 0.00 0.032 A ATOM 17 C UNL d 1 38.642 -43.471 -47.464 0.00 0.00 0.083 A ATOM 18 C UNL d 1 37.126 -43.263 -45.102 0.00 0.00 0.017 A ATOM 19 C UNL d 1 38.151 -44.607 -46.781 0.00 0.00 0.038 A ATOM 20 C UNL d 1 37.410 -44.516 -45.611 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 38.576 -35.606 -48.999 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 39.686 -35.517 -49.927 0.00 0.00 0.263 C ATOM 23 O UNL d 1 40.930 -35.944 -49.348 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 41.563 -35.019 -48.456 0.00 0.00 0.151 C ATOM 25 C UNL d 1 41.792 -33.654 -49.136 0.00 0.00 0.179 C ATOM 26 C UNL d 1 42.881 -35.642 -47.995 0.00 0.00 0.042 C ATOM 27 C UNL d 1 40.431 -33.136 -49.641 0.00 0.00 0.253 C ATOM 28 C UNL d 1 39.840 -34.156 -50.615 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 42.702 -33.757 -50.246 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 42.911 -34.701 -50.373 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 40.540 -31.838 -50.317 0.00 0.00 0.085 N ATOM 32 H UNL d 1 39.641 -31.356 -50.263 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 41.175 -31.247 -49.771 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 37.084 -33.275 -45.396 0.00 0.00 0.184 C ATOM 35 O UNL d 1 37.171 -33.212 -44.162 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 36.767 -32.013 -46.187 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 35.355 -31.854 -46.309 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 34.952 -32.610 -45.837 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 36.282 -34.682 -47.198 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 36.679 -35.028 -48.019 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 39.308 -38.377 -48.836 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 39.078 -39.199 -49.307 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 36.476 -38.247 -44.102 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 36.082 -39.131 -43.913 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 39.309 -43.911 -48.569 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 38.862 -43.727 -49.895 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11