REMARK VINA RESULT: -7.2 0.000 0.000 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 -3.136 -1.063 3.866 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -0.578 -1.131 2.435 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -1.580 -0.198 2.048 0.00 0.00 0.025 A ATOM 4 C UNL d 1 0.691 -1.197 1.740 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -2.098 -1.922 4.269 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.853 -0.266 2.722 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -0.893 -1.968 3.530 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -1.267 0.728 1.006 0.00 0.00 0.051 A ATOM 9 C UNL d 1 0.911 -0.297 0.685 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -0.039 0.660 0.336 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -2.153 -2.904 5.419 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -4.456 -0.989 4.587 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -4.907 -1.998 5.457 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -6.145 -1.858 6.122 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -4.153 -3.254 5.824 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -7.056 -0.798 5.928 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -6.660 0.207 4.999 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -8.324 -0.722 6.621 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -5.336 0.116 4.435 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -7.596 1.249 4.711 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -8.812 1.322 5.384 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -9.162 0.367 6.335 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.899 1.232 3.746 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -5.610 1.892 3.688 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -7.363 2.212 3.602 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -7.732 2.033 2.448 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -9.737 2.296 5.104 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -10.568 1.817 4.913 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -10.392 0.590 6.903 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -10.704 -0.200 7.366 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -8.758 -1.814 7.609 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -8.310 -1.556 9.053 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -10.247 -2.150 7.480 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -3.873 0.478 2.155 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -3.555 1.367 1.924 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -2.154 1.871 0.687 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -3.101 1.817 -0.088 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 1.781 -2.192 2.163 0.00 0.00 0.014 C ATOM 39 C UNL d 1 2.758 -2.552 1.037 0.00 0.00 0.015 C ATOM 40 C UNL d 1 2.473 -1.770 3.463 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 0.303 1.559 -0.640 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -0.499 1.655 -1.191 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 2.060 -0.219 -0.067 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 2.719 0.338 0.368 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11