REMARK VINA RESULT: -5.7 1.697 9.198 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 -16.656 20.602 -29.113 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -14.463 20.756 -31.053 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -14.233 21.114 -29.696 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -13.404 20.833 -32.037 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -16.831 20.186 -30.446 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -15.365 21.109 -28.801 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -15.770 20.317 -31.370 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -12.904 21.474 -29.315 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -12.135 21.252 -31.607 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -11.883 21.549 -30.269 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -18.112 19.653 -31.049 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -17.755 20.521 -28.086 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -19.085 20.886 -28.361 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -20.074 20.764 -27.360 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -19.615 21.365 -29.691 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -19.835 20.376 -26.025 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -18.485 20.066 -25.695 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -20.887 20.294 -25.036 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -17.515 20.064 -26.762 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -18.191 19.754 -24.330 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -19.207 19.671 -23.382 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -20.533 19.916 -23.732 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -16.283 19.516 -26.454 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -15.699 20.193 -26.074 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -16.789 19.633 -23.849 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -16.134 18.599 -23.891 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -18.946 19.402 -22.063 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -17.994 19.182 -22.026 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -21.405 19.789 -22.679 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -21.126 20.340 -21.935 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -22.340 20.645 -25.388 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -23.314 19.470 -25.238 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -22.811 21.924 -24.689 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -15.156 21.697 -27.566 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -14.576 22.473 -27.654 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -12.522 21.647 -27.894 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -12.045 20.763 -27.193 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -13.644 20.434 -33.500 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -13.764 21.628 -34.454 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -12.652 19.368 -33.977 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -10.592 21.854 -29.926 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -10.202 22.252 -30.728 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -11.022 21.368 -32.407 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -10.262 21.675 -31.896 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11