REMARK VINA RESULT: -5.8 0.000 0.000 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 44.589 68.404 53.537 0.00 0.00 -0.286 OA ATOM 2 O UNL d 1 40.066 69.846 55.674 0.00 0.00 -0.286 OA ATOM 3 C UNL d 1 43.001 64.048 55.770 0.00 0.00 0.164 C ATOM 4 C UNL d 1 41.063 63.606 57.366 0.00 0.00 0.127 C ATOM 5 C UNL d 1 41.846 63.117 56.142 0.00 0.00 0.083 C ATOM 6 C UNL d 1 40.351 64.898 56.961 0.00 0.00 0.088 C ATOM 7 C UNL d 1 42.590 65.523 55.862 0.00 0.00 0.014 A ATOM 8 C UNL d 1 41.310 65.903 56.334 0.00 0.00 -0.009 A ATOM 9 C UNL d 1 43.427 66.521 55.312 0.00 0.00 0.090 A ATOM 10 C UNL d 1 40.884 67.232 56.166 0.00 0.00 0.088 A ATOM 11 C UNL d 1 42.978 67.845 55.107 0.00 0.00 0.066 A ATOM 12 C UNL d 1 41.707 68.196 55.552 0.00 0.00 0.066 A ATOM 13 C UNL d 1 43.754 68.838 54.318 0.00 0.00 0.200 C ATOM 14 C UNL d 1 41.217 69.566 55.355 0.00 0.00 0.197 C ATOM 15 C UNL d 1 43.409 70.287 54.327 0.00 0.00 0.062 A ATOM 16 C UNL d 1 42.120 70.603 54.805 0.00 0.00 0.032 A ATOM 17 C UNL d 1 44.206 71.343 53.829 0.00 0.00 0.083 A ATOM 18 C UNL d 1 41.615 71.916 54.764 0.00 0.00 0.017 A ATOM 19 C UNL d 1 43.669 72.650 53.805 0.00 0.00 0.038 A ATOM 20 C UNL d 1 42.388 72.941 54.256 0.00 0.00 0.004 A ENDROOT BRANCH 3 21 ATOM 21 O UNL d 1 44.230 63.786 56.496 0.00 0.00 -0.351 OA BRANCH 21 22 ATOM 22 C UNL d 1 44.404 62.415 56.933 0.00 0.00 0.263 C ATOM 23 O UNL d 1 44.495 62.294 58.361 0.00 0.00 -0.354 OA ATOM 24 C UNL d 1 45.746 62.671 58.949 0.00 0.00 0.151 C ATOM 25 C UNL d 1 46.917 61.887 58.324 0.00 0.00 0.179 C ATOM 26 C UNL d 1 45.649 62.423 60.455 0.00 0.00 0.042 C ATOM 27 C UNL d 1 46.895 62.126 56.802 0.00 0.00 0.253 C ATOM 28 C UNL d 1 45.549 61.663 56.244 0.00 0.00 0.098 C BRANCH 25 29 ATOM 29 O UNL d 1 46.814 60.476 58.583 0.00 0.00 -0.391 OA ATOM 30 H UNL d 1 46.779 60.353 59.551 0.00 0.00 0.210 HD ENDBRANCH 25 29 BRANCH 27 31 ATOM 31 N UNL d 1 47.971 61.412 56.105 0.00 0.00 0.085 N ATOM 32 H UNL d 1 48.870 61.819 56.369 0.00 0.00 0.313 HD ATOM 33 H UNL d 1 48.010 60.456 56.473 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 40.051 62.504 57.736 0.00 0.00 0.184 C ATOM 35 O UNL d 1 39.032 62.299 57.063 0.00 0.00 -0.292 OA BRANCH 34 36 ATOM 36 C UNL d 1 40.303 61.667 58.982 0.00 0.00 0.245 C BRANCH 36 37 ATOM 37 O UNL d 1 41.625 61.131 58.953 0.00 0.00 -0.393 OA ATOM 38 H UNL d 1 41.635 60.393 59.595 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 41.908 63.866 58.487 0.00 0.00 -0.382 OA ATOM 40 H UNL d 1 42.731 64.307 58.205 0.00 0.00 0.211 HD ENDBRANCH 4 39 BRANCH 9 41 ATOM 41 O UNL d 1 44.713 66.178 54.982 0.00 0.00 -0.359 OA ATOM 42 H UNL d 1 44.729 65.883 54.053 0.00 0.00 0.217 HD ENDBRANCH 9 41 BRANCH 10 43 ATOM 43 O UNL d 1 39.608 67.528 56.581 0.00 0.00 -0.359 OA ATOM 44 H UNL d 1 39.651 67.901 57.493 0.00 0.00 0.217 HD ENDBRANCH 10 43 BRANCH 17 45 ATOM 45 O UNL d 1 45.475 71.412 53.332 0.00 0.00 -0.355 OA ATOM 46 C UNL d 1 45.814 71.192 51.980 0.00 0.00 0.210 C ENDBRANCH 17 45 TORSDOF 11