REMARK VINA RESULT: -4.2 0.075 9.364 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 17.723 -32.501 -4.173 0.00 0.00 0.017 A ATOM 2 C UNL d 1 14.984 -31.616 -4.730 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 16.078 -30.973 -5.372 0.00 0.00 0.025 A ATOM 4 C UNL d 1 13.620 -31.194 -4.974 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 16.615 -33.162 -3.611 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 17.409 -31.384 -4.996 0.00 0.00 0.089 A ATOM 7 C UNL d 1 15.309 -32.682 -3.859 0.00 0.00 0.020 A ATOM 8 C UNL d 1 15.788 -29.953 -6.329 0.00 0.00 0.051 A ATOM 9 C UNL d 1 13.409 -30.144 -5.883 0.00 0.00 0.107 A ATOM 10 C UNL d 1 14.469 -29.547 -6.561 0.00 0.00 0.113 A ATOM 11 C UNL d 1 16.670 -34.343 -2.668 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 19.142 -32.938 -3.923 0.00 0.00 0.017 A ATOM 13 C UNL d 1 19.802 -33.884 -4.728 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 21.143 -34.234 -4.456 0.00 0.00 0.020 A ATOM 15 C UNL d 1 19.229 -34.561 -5.950 0.00 0.00 0.049 C ATOM 16 C UNL d 1 21.894 -33.773 -3.354 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 21.232 -32.866 -2.478 0.00 0.00 0.025 A ATOM 18 C UNL d 1 23.259 -34.187 -3.112 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 19.912 -32.416 -2.849 0.00 0.00 0.089 A ATOM 20 C UNL d 1 21.932 -32.446 -1.304 0.00 0.00 0.051 A ATOM 21 C UNL d 1 23.246 -32.843 -1.077 0.00 0.00 0.113 A ATOM 22 C UNL d 1 23.906 -33.681 -1.974 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 19.412 -31.355 -2.118 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 18.457 -31.464 -1.977 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 21.248 -31.683 -0.227 0.00 0.00 0.273 C ATOM 26 O UNL d 1 21.495 -30.516 0.053 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 23.928 -32.478 0.056 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 24.729 -33.038 0.069 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 25.195 -33.972 -1.599 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 25.206 -34.641 -0.901 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 23.968 -35.178 -4.047 0.00 0.00 0.014 C ATOM 32 C UNL d 1 25.260 -34.629 -4.665 0.00 0.00 0.015 C ATOM 33 C UNL d 1 24.135 -36.559 -3.405 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 18.437 -30.575 -5.448 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 18.299 -29.658 -5.157 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 16.840 -29.385 -7.204 0.00 0.00 0.273 C ATOM 37 O UNL d 1 17.176 -28.207 -7.209 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 12.435 -31.893 -4.295 0.00 0.00 0.014 C ATOM 39 C UNL d 1 11.609 -30.970 -3.391 0.00 0.00 0.015 C ATOM 40 C UNL d 1 11.588 -32.692 -5.291 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 14.159 -28.599 -7.501 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 13.289 -28.866 -7.856 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 12.183 -29.633 -6.235 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 12.201 -29.284 -7.136 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11