REMARK VINA RESULT: -7.0 3.535 7.469 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 -17.604 21.008 -30.373 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -19.700 20.951 -32.422 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -19.583 22.078 -31.562 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -20.732 20.887 -33.436 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -17.702 19.942 -31.285 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -18.595 22.019 -30.512 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -18.752 19.918 -32.231 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -20.461 23.182 -31.783 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -21.601 21.983 -33.559 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -21.459 23.116 -32.763 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -16.808 18.722 -31.326 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -16.531 21.079 -29.318 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -15.160 21.135 -29.628 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -14.203 21.225 -28.593 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -14.566 21.168 -31.016 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -14.493 21.176 -27.213 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -15.868 21.050 -26.865 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -13.466 21.247 -26.197 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -16.838 21.097 -27.931 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -16.192 20.909 -25.479 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -15.201 20.983 -24.504 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -13.866 21.169 -24.854 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -18.157 21.228 -27.538 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -18.253 20.995 -26.599 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -17.566 20.553 -25.038 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -18.359 21.348 -24.548 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -15.483 20.822 -23.171 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -14.906 20.093 -22.870 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -13.022 21.222 -23.772 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -13.230 20.518 -23.141 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -11.981 21.366 -26.572 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -11.294 22.607 -25.989 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -11.215 20.064 -26.318 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -18.679 23.012 -29.553 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -19.417 22.836 -28.946 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -20.272 24.478 -31.091 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -19.306 25.214 -31.251 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -20.854 19.679 -34.376 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -19.573 18.842 -34.474 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -22.108 18.848 -34.086 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -22.290 24.175 -33.021 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -22.541 24.079 -33.961 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -22.623 22.088 -34.474 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -23.483 22.047 -34.036 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11