REMARK VINA RESULT: -5.1 0.017 8.976 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 -5.030 -3.787 1.728 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -5.912 -2.888 -0.919 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -5.166 -4.093 -0.794 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -6.351 -2.411 -2.214 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -5.829 -2.639 1.577 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -4.678 -4.445 0.517 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -6.198 -2.203 0.285 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.935 -4.863 -1.975 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -6.037 -3.187 -3.342 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -5.360 -4.398 -3.225 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -6.303 -1.734 2.693 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.573 -4.288 3.073 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -5.457 -4.812 4.033 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -4.962 -5.288 5.267 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -6.947 -4.985 3.863 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -3.618 -5.209 5.688 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.706 -4.619 4.766 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -3.174 -5.691 6.977 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -3.206 -4.265 3.460 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -1.353 -4.442 5.193 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -0.928 -4.912 6.432 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -1.816 -5.544 7.300 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -2.247 -3.937 2.519 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -2.624 -3.344 1.847 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -0.388 -3.643 4.393 0.00 0.00 0.273 C ATOM 26 O UNL d 1 0.231 -2.678 4.824 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 0.357 -4.728 6.875 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 0.276 -4.204 7.696 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -1.234 -5.947 8.477 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -1.874 -6.407 9.036 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -4.160 -6.312 7.978 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -5.141 -5.302 8.586 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -4.840 -7.565 7.418 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -3.757 -5.477 0.557 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -3.060 -5.335 -0.106 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.367 -6.230 -1.914 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -4.812 -7.135 -1.219 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -7.167 -1.118 -2.353 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -8.101 -0.848 -1.168 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -6.289 0.081 -2.726 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -5.185 -5.133 -4.369 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -6.071 -5.181 -4.779 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -6.388 -2.884 -4.637 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -7.327 -2.663 -4.696 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11