REMARK VINA RESULT: -4.0 2.186 4.299 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 18.686 -31.572 -2.953 0.00 0.00 0.017 A ATOM 2 C UNL d 1 21.118 -32.011 -1.375 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 20.878 -32.795 -2.538 0.00 0.00 0.025 A ATOM 4 C UNL d 1 22.303 -32.213 -0.568 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 18.989 -30.766 -1.840 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 19.626 -32.604 -3.227 0.00 0.00 0.089 A ATOM 7 C UNL d 1 20.144 -31.033 -1.070 0.00 0.00 0.020 A ATOM 8 C UNL d 1 21.882 -33.732 -2.933 0.00 0.00 0.051 A ATOM 9 C UNL d 1 23.222 -33.192 -0.981 0.00 0.00 0.107 A ATOM 10 C UNL d 1 23.026 -33.924 -2.149 0.00 0.00 0.113 A ATOM 11 C UNL d 1 18.139 -29.634 -1.305 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 17.456 -31.364 -3.796 0.00 0.00 0.017 A ATOM 13 C UNL d 1 17.312 -30.281 -4.682 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 16.142 -30.156 -5.463 0.00 0.00 0.020 A ATOM 15 C UNL d 1 18.344 -29.212 -4.949 0.00 0.00 0.049 C ATOM 16 C UNL d 1 15.014 -31.000 -5.377 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 15.099 -32.067 -4.438 0.00 0.00 0.025 A ATOM 18 C UNL d 1 13.831 -30.806 -6.187 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 16.353 -32.258 -3.750 0.00 0.00 0.089 A ATOM 20 C UNL d 1 13.942 -32.889 -4.262 0.00 0.00 0.051 A ATOM 21 C UNL d 1 12.808 -32.702 -5.047 0.00 0.00 0.113 A ATOM 22 C UNL d 1 12.760 -31.694 -6.006 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 16.477 -33.443 -3.048 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 16.680 -34.174 -3.655 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 13.860 -33.880 -3.157 0.00 0.00 0.273 C ATOM 26 O UNL d 1 13.785 -35.092 -3.324 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 11.677 -33.459 -4.875 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 11.623 -34.029 -5.668 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 11.570 -31.650 -6.691 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 11.719 -31.751 -7.641 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 13.733 -29.644 -7.188 0.00 0.00 0.014 C ATOM 32 C UNL d 1 12.672 -28.599 -6.820 0.00 0.00 0.015 C ATOM 33 C UNL d 1 15.104 -29.040 -7.508 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 19.322 -33.547 -4.193 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 19.383 -34.444 -3.822 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 21.826 -34.429 -4.239 0.00 0.00 0.273 C ATOM 37 O UNL d 1 22.741 -34.450 -5.053 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 22.574 -31.360 0.679 0.00 0.00 0.014 C ATOM 39 C UNL d 1 22.849 -29.884 0.370 0.00 0.00 0.015 C ATOM 40 C UNL d 1 21.511 -31.571 1.763 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 24.023 -34.788 -2.524 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 24.093 -34.690 -3.494 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 24.398 -33.500 -0.338 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 24.758 -32.724 0.110 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11