REMARK VINA RESULT: -2.2 3.137 8.347 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 -2.430 -20.652 5.841 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 1.370 -19.532 9.217 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 -2.478 -15.506 5.868 0.00 0.00 0.164 C ATOM 4 C UNL d 1 -1.264 -13.837 7.364 0.00 0.00 0.127 C ATOM 5 C UNL d 1 -1.696 -14.193 5.938 0.00 0.00 0.083 C ATOM 6 C UNL d 1 -0.230 -14.880 7.797 0.00 0.00 0.088 C ATOM 7 C UNL d 1 -1.848 -16.586 6.756 0.00 0.00 0.014 A ATOM 8 C UNL d 1 -0.735 -16.303 7.585 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 -2.265 -17.932 6.628 0.00 0.00 0.090 A ATOM 10 C UNL d 1 -0.036 -17.366 8.182 0.00 0.00 0.088 A ATOM 11 C UNL d 1 -1.533 -18.999 7.196 0.00 0.00 0.066 A ATOM 12 C UNL d 1 -0.426 -18.705 7.987 0.00 0.00 0.066 A ATOM 13 C UNL d 1 -1.819 -20.422 6.875 0.00 0.00 0.200 C ATOM 14 C UNL d 1 0.349 -19.794 8.591 0.00 0.00 0.197 C ATOM 15 C UNL d 1 -1.229 -21.537 7.667 0.00 0.00 0.062 A ATOM 16 C UNL d 1 -0.122 -21.194 8.471 0.00 0.00 0.032 A ATOM 17 C UNL d 1 -1.614 -22.897 7.620 0.00 0.00 0.083 A ATOM 18 C UNL d 1 0.607 -22.163 9.183 0.00 0.00 0.017 A ATOM 19 C UNL d 1 -0.861 -23.844 8.350 0.00 0.00 0.038 A ATOM 20 C UNL d 1 0.241 -23.494 9.117 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 -3.899 -15.363 6.122 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 -4.660 -14.776 5.037 0.00 0.00 0.263 C ATOM 23 O UNL d 1 -5.790 -15.577 4.654 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 -5.504 -16.738 3.865 0.00 0.00 0.151 C ATOM 25 C UNL d 1 -4.722 -16.368 2.589 0.00 0.00 0.179 C ATOM 26 C UNL d 1 -6.834 -17.414 3.529 0.00 0.00 0.042 C ATOM 27 C UNL d 1 -3.441 -15.623 3.012 0.00 0.00 0.253 C ATOM 28 C UNL d 1 -3.829 -14.379 3.812 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 -5.494 -15.526 1.715 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 -6.360 -15.953 1.579 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 -2.623 -15.216 1.863 0.00 0.00 0.085 N ATOM 32 H UNL d 1 -2.165 -14.328 2.076 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 -1.850 -15.882 1.771 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 -0.647 -12.426 7.321 0.00 0.00 0.184 C ATOM 35 O UNL d 1 0.252 -12.080 8.100 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 -1.182 -11.423 6.308 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 -0.211 -11.191 5.289 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 0.482 -10.631 5.693 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 -2.355 -13.847 8.285 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 -2.204 -14.500 8.994 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 -3.421 -18.188 5.937 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 -3.301 -17.905 5.011 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 1.074 -17.036 8.921 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 1.500 -17.866 9.240 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 -2.624 -23.568 6.995 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 -3.941 -23.670 7.494 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11