REMARK VINA RESULT: -3.8 1.750 9.144 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 16.915 -32.427 -3.097 0.00 0.00 0.017 A ATOM 2 C UNL d 1 14.318 -32.489 -4.457 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 15.270 -31.486 -4.795 0.00 0.00 0.025 A ATOM 4 C UNL d 1 13.023 -32.538 -5.102 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 15.981 -33.446 -2.838 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 16.495 -31.443 -4.034 0.00 0.00 0.089 A ATOM 7 C UNL d 1 14.718 -33.423 -3.473 0.00 0.00 0.020 A ATOM 8 C UNL d 1 14.942 -30.579 -5.849 0.00 0.00 0.051 A ATOM 9 C UNL d 1 12.742 -31.578 -6.089 0.00 0.00 0.107 A ATOM 10 C UNL d 1 13.688 -30.630 -6.469 0.00 0.00 0.113 A ATOM 11 C UNL d 1 16.155 -34.583 -1.855 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 18.264 -32.373 -2.430 0.00 0.00 0.017 A ATOM 13 C UNL d 1 18.571 -31.464 -1.401 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 19.848 -31.480 -0.799 0.00 0.00 0.020 A ATOM 15 C UNL d 1 17.621 -30.459 -0.795 0.00 0.00 0.049 C ATOM 16 C UNL d 1 20.926 -32.297 -1.203 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 20.670 -33.181 -2.290 0.00 0.00 0.025 A ATOM 18 C UNL d 1 22.222 -32.250 -0.563 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 19.322 -33.246 -2.800 0.00 0.00 0.089 A ATOM 20 C UNL d 1 21.763 -33.960 -2.783 0.00 0.00 0.051 A ATOM 21 C UNL d 1 23.008 -33.916 -2.162 0.00 0.00 0.113 A ATOM 22 C UNL d 1 23.229 -33.093 -1.060 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 19.059 -34.287 -3.671 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 19.727 -34.312 -4.377 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 21.650 -34.740 -4.044 0.00 0.00 0.273 C ATOM 26 O UNL d 1 21.623 -34.240 -5.162 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 24.078 -34.632 -2.634 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 24.851 -34.304 -2.134 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 24.509 -33.173 -0.569 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 24.923 -32.300 -0.548 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 22.504 -31.285 0.598 0.00 0.00 0.014 C ATOM 32 C UNL d 1 22.665 -29.823 0.161 0.00 0.00 0.015 C ATOM 33 C UNL d 1 21.520 -31.474 1.757 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 17.276 -30.316 -4.218 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 18.168 -30.566 -4.512 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 15.946 -29.651 -6.418 0.00 0.00 0.273 C ATOM 37 O UNL d 1 15.687 -28.745 -7.200 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 11.998 -33.626 -4.751 0.00 0.00 0.014 C ATOM 39 C UNL d 1 12.397 -35.026 -5.229 0.00 0.00 0.015 C ATOM 40 C UNL d 1 11.588 -33.577 -3.276 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 13.360 -29.798 -7.508 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 14.089 -29.148 -7.554 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 11.570 -31.493 -6.803 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 11.117 -30.659 -6.622 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11