REMARK VINA RESULT: -2.8 2.156 9.567 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 -5.813 -1.932 1.614 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -4.028 -1.460 -0.663 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.498 -1.486 0.657 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -3.174 -1.216 -1.807 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -6.292 -1.971 0.292 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -4.430 -1.631 1.749 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -5.418 -1.691 -0.783 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -2.085 -1.348 0.815 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.801 -1.029 -1.575 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -1.263 -1.112 -0.293 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -7.724 -2.221 -0.127 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -6.697 -2.187 2.807 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -8.088 -1.978 2.783 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -8.866 -2.259 3.928 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -8.895 -1.518 1.593 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -8.353 -2.665 5.178 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -6.939 -2.819 5.256 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -9.199 -2.914 6.325 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -6.178 -2.660 4.041 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -6.377 -3.145 6.530 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -7.194 -3.388 7.630 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -8.580 -3.295 7.526 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.857 -3.064 4.103 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.373 -2.753 3.320 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.908 -3.109 6.758 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -4.359 -2.415 7.605 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -6.676 -3.673 8.868 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -6.326 -2.825 9.205 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -9.233 -3.568 8.702 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -9.801 -2.829 8.958 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -10.722 -2.731 6.246 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -11.450 -3.898 5.566 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -11.327 -2.335 7.597 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -3.913 -1.403 3.013 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -4.250 -0.565 3.370 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -1.420 -1.583 2.118 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -0.776 -0.740 2.729 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -3.738 -1.200 -3.234 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -2.727 -0.745 -4.292 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -4.446 -2.512 -3.589 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 0.099 -1.014 -0.176 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 0.342 -0.216 -0.685 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -0.855 -0.801 -2.547 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 0.034 -0.809 -2.170 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11