REMARK VINA RESULT: -4.2 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_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 -0.132 15.859 -18.232 0.00 0.00 0.017 A ATOM 2 C UNL d 1 2.782 16.079 -18.004 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 1.952 16.583 -16.964 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.225 16.184 -17.926 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 0.719 15.307 -19.207 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 0.524 16.533 -17.166 0.00 0.00 0.089 A ATOM 7 C UNL d 1 2.119 15.471 -19.095 0.00 0.00 0.020 A ATOM 8 C UNL d 1 2.585 17.121 -15.803 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.780 16.779 -16.781 0.00 0.00 0.107 A ATOM 10 C UNL d 1 3.979 17.222 -15.732 0.00 0.00 0.113 A ATOM 11 C UNL d 1 0.282 14.582 -20.461 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -1.632 15.750 -18.308 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -2.416 16.572 -19.139 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -3.817 16.403 -19.183 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -1.896 17.631 -20.080 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -4.553 15.510 -18.377 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -3.796 14.710 -17.473 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -5.994 15.399 -18.448 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.358 14.799 -17.541 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -4.516 13.857 -16.579 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -5.901 13.750 -16.655 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.626 14.491 -17.585 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -1.663 13.834 -16.837 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -1.010 14.250 -16.249 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -3.831 13.156 -15.461 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -3.698 11.940 -15.390 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -6.615 12.960 -15.789 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -6.945 12.216 -16.330 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -7.979 14.264 -17.526 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -8.321 14.461 -16.644 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -6.812 16.274 -19.410 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -7.646 15.471 -20.418 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -7.614 17.350 -18.672 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -0.235 17.250 -16.258 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -0.513 18.098 -16.644 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 1.815 17.463 -14.584 0.00 0.00 0.273 C ATOM 37 O UNL d 1 2.162 17.183 -13.444 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 5.126 15.629 -19.038 0.00 0.00 0.014 C ATOM 39 C UNL d 1 6.158 16.637 -19.556 0.00 0.00 0.015 C ATOM 40 C UNL d 1 5.730 14.271 -18.666 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 4.614 17.699 -14.615 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 4.854 16.904 -14.099 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 6.125 16.945 -16.545 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 6.644 16.306 -17.050 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11