REMARK VINA RESULT: -2.5 2.064 9.362 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 -1.760 15.645 -16.937 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -4.575 14.907 -17.296 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -4.039 16.020 -18.003 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -5.964 14.526 -17.442 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -2.301 14.508 -16.309 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.676 16.397 -17.724 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.674 14.205 -16.462 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.892 16.699 -18.926 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -6.763 15.275 -18.322 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -6.235 16.328 -19.064 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -1.561 13.566 -15.385 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.315 16.043 -16.790 0.00 0.00 0.017 A ATOM 13 C UNL d 1 0.133 16.936 -15.799 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 1.505 17.251 -15.698 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -0.725 17.585 -14.739 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.508 16.807 -16.585 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 2.077 15.956 -17.643 0.00 0.00 0.025 A ATOM 18 C UNL d 1 3.898 17.185 -16.446 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 0.697 15.537 -17.649 0.00 0.00 0.089 A ATOM 20 C UNL d 1 3.051 15.558 -18.613 0.00 0.00 0.051 A ATOM 21 C UNL d 1 4.387 15.920 -18.472 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.808 16.701 -17.398 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 0.382 14.521 -18.532 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 1.180 14.219 -18.996 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 2.654 14.859 -19.863 0.00 0.00 0.273 C ATOM 26 O UNL d 1 2.875 13.675 -20.089 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 5.333 15.574 -19.404 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 4.837 15.153 -20.133 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 6.156 16.963 -17.411 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 6.401 17.460 -18.203 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 4.359 18.116 -15.315 0.00 0.00 0.014 C ATOM 32 C UNL d 1 3.396 18.167 -14.123 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.816 17.860 -14.915 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.274 17.618 -18.235 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -2.518 18.337 -17.628 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.368 17.719 -19.865 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -3.968 17.478 -20.997 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -6.543 13.319 -16.692 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -7.212 13.682 -15.361 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -7.416 12.442 -17.596 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -7.065 16.938 -19.969 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -6.701 17.837 -20.084 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -8.092 15.039 -18.584 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -8.325 15.336 -19.473 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11