REMARK VINA RESULT: -4.8 1.141 1.672 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 -5.229 -3.517 2.630 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -4.303 -4.863 5.065 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -3.355 -4.326 4.150 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -3.877 -5.543 6.270 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -6.140 -3.995 3.591 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -3.858 -3.756 2.924 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -5.666 -4.682 4.731 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -1.972 -4.406 4.495 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -2.498 -5.639 6.519 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -1.564 -5.066 5.660 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -7.648 -3.914 3.503 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -5.668 -2.807 1.377 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -6.300 -1.550 1.394 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -6.666 -0.925 0.182 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -6.595 -0.724 2.622 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -6.533 -1.499 -1.100 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -5.959 -2.802 -1.148 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -6.950 -0.819 -2.307 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -5.468 -3.366 0.086 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -5.890 -3.451 -2.421 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -6.287 -2.791 -3.580 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.789 -1.493 -3.528 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -4.698 -4.507 -0.040 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -5.253 -5.299 0.052 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -5.515 -4.884 -2.538 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -4.563 -5.295 -3.190 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -6.257 -3.403 -4.807 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -6.772 -4.226 -4.700 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -7.131 -0.992 -4.760 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -7.697 -0.214 -4.668 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -7.583 0.579 -2.255 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -7.434 1.374 -3.558 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -9.018 0.543 -1.719 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.907 -3.476 1.958 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -2.048 -3.290 2.373 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -0.933 -3.687 3.721 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -0.094 -4.231 3.014 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -4.896 -6.112 7.268 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -4.906 -7.643 7.335 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -4.793 -5.440 8.641 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -0.246 -5.125 6.035 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -0.163 -5.955 6.543 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -1.929 -6.239 7.617 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -2.367 -5.956 8.430 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11