REMARK VINA RESULT: -4.0 2.012 2.424 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 10.576 45.406 22.900 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 13.000 49.220 25.485 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 10.720 43.551 27.698 0.00 0.00 0.164 C ATOM 4 C UNL d 1 11.928 44.400 29.776 0.00 0.00 0.127 C ATOM 5 C UNL d 1 10.633 43.812 29.203 0.00 0.00 0.083 C ATOM 6 C UNL d 1 12.086 45.804 29.189 0.00 0.00 0.088 C ATOM 7 C UNL d 1 11.415 44.704 26.963 0.00 0.00 0.014 A ATOM 8 C UNL d 1 11.969 45.801 27.669 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 11.360 44.772 25.552 0.00 0.00 0.090 A ATOM 10 C UNL d 1 12.365 46.945 26.956 0.00 0.00 0.088 A ATOM 11 C UNL d 1 11.720 45.941 24.844 0.00 0.00 0.066 A ATOM 12 C UNL d 1 12.238 47.020 25.555 0.00 0.00 0.066 A ATOM 13 C UNL d 1 11.444 46.112 23.394 0.00 0.00 0.200 C ATOM 14 C UNL d 1 12.623 48.245 24.845 0.00 0.00 0.197 C ATOM 15 C UNL d 1 12.055 47.220 22.606 0.00 0.00 0.062 A ATOM 16 C UNL d 1 12.587 48.284 23.364 0.00 0.00 0.032 A ATOM 17 C UNL d 1 12.070 47.340 21.197 0.00 0.00 0.083 A ATOM 18 C UNL d 1 13.090 49.449 22.756 0.00 0.00 0.017 A ATOM 19 C UNL d 1 12.586 48.523 20.620 0.00 0.00 0.038 A ATOM 20 C UNL d 1 13.082 49.572 21.380 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 11.300 42.266 27.353 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 10.345 41.239 26.992 0.00 0.00 0.263 C ATOM 23 O UNL d 1 10.582 39.995 27.670 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 11.667 39.202 27.175 0.00 0.00 0.151 C ATOM 25 C UNL d 1 11.503 38.905 25.671 0.00 0.00 0.179 C ATOM 26 C UNL d 1 11.717 37.912 27.996 0.00 0.00 0.042 C ATOM 27 C UNL d 1 11.380 40.250 24.929 0.00 0.00 0.253 C ATOM 28 C UNL d 1 10.180 41.018 25.483 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 10.333 38.110 25.408 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 10.631 37.219 25.145 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 11.209 40.079 23.481 0.00 0.00 0.085 N ATOM 32 H UNL d 1 10.324 40.501 23.196 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 11.922 40.643 23.007 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 11.771 44.452 31.308 0.00 0.00 0.184 C ATOM 35 O UNL d 1 10.939 43.754 31.905 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 12.647 45.411 32.103 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 13.819 44.739 32.559 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 14.030 44.065 31.882 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 13.076 43.619 29.446 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 13.120 42.817 30.000 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 10.950 43.657 24.866 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 10.496 43.941 24.051 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 12.832 48.003 27.698 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 12.105 48.326 28.280 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 11.683 46.520 20.179 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 11.849 45.118 20.178 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11