REMARK VINA RESULT: -1.7 2.197 2.780 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 -0.558 16.527 -18.283 0.00 0.00 0.017 A ATOM 2 C UNL d 1 2.338 16.886 -17.998 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 1.650 15.983 -17.140 0.00 0.00 0.025 A ATOM 4 C UNL d 1 3.766 17.094 -17.874 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 0.164 17.356 -19.161 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 0.215 15.910 -17.260 0.00 0.00 0.089 A ATOM 7 C UNL d 1 1.551 17.548 -18.970 0.00 0.00 0.020 A ATOM 8 C UNL d 1 2.422 15.226 -16.207 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.455 16.361 -16.895 0.00 0.00 0.107 A ATOM 10 C UNL d 1 3.802 15.432 -16.090 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -0.418 18.161 -20.302 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -2.042 16.305 -18.410 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -2.983 16.957 -17.592 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -4.363 16.724 -17.777 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -2.671 17.973 -16.520 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -4.916 15.796 -18.685 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -3.986 15.068 -19.481 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -6.341 15.583 -18.812 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.591 15.418 -19.374 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -4.505 14.057 -20.349 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -5.877 13.858 -20.473 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.780 14.620 -19.735 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -1.760 14.874 -20.336 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.984 14.464 -19.918 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -3.605 13.103 -21.049 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -3.875 11.925 -21.252 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -6.397 12.875 -21.277 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -5.647 12.282 -21.479 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -8.092 14.296 -19.978 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -8.658 15.076 -19.898 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -7.343 16.356 -17.942 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -7.319 15.950 -16.463 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -7.253 17.869 -18.164 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -0.437 15.219 -16.253 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.191 15.735 -15.921 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 1.832 14.110 -15.432 0.00 0.00 0.273 C ATOM 37 O UNL d 1 1.434 14.203 -14.277 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 4.515 18.057 -18.807 0.00 0.00 0.014 C ATOM 39 C UNL d 1 6.036 17.859 -18.804 0.00 0.00 0.015 C ATOM 40 C UNL d 1 3.905 18.090 -20.212 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 4.573 14.693 -15.230 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 5.280 15.300 -14.935 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 5.808 16.431 -16.655 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 6.290 15.816 -17.223 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11