REMARK VINA RESULT: 22.3 0.094 9.520 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 21.428 6.292 -12.550 0.00 0.00 0.017 A ATOM 2 C UNL d 1 20.447 4.359 -14.523 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 20.846 5.658 -14.944 0.00 0.00 0.025 A ATOM 4 C UNL d 1 19.946 3.387 -15.472 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 21.094 4.977 -12.178 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 21.234 6.602 -13.924 0.00 0.00 0.089 A ATOM 7 C UNL d 1 20.577 4.082 -13.142 0.00 0.00 0.020 A ATOM 8 C UNL d 1 20.816 5.948 -16.343 0.00 0.00 0.051 A ATOM 9 C UNL d 1 19.887 3.757 -16.825 0.00 0.00 0.107 A ATOM 10 C UNL d 1 20.330 5.005 -17.256 0.00 0.00 0.113 A ATOM 11 C UNL d 1 21.161 4.405 -10.779 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 21.951 7.307 -11.567 0.00 0.00 0.017 A ATOM 13 C UNL d 1 23.318 7.615 -11.443 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 23.742 8.594 -10.518 0.00 0.00 0.020 A ATOM 15 C UNL d 1 24.436 7.029 -12.271 0.00 0.00 0.049 C ATOM 16 C UNL d 1 22.903 9.263 -9.602 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 21.521 8.923 -9.653 0.00 0.00 0.025 A ATOM 18 C UNL d 1 23.401 10.240 -8.659 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 21.088 8.024 -10.695 0.00 0.00 0.089 A ATOM 20 C UNL d 1 20.656 9.516 -8.681 0.00 0.00 0.051 A ATOM 21 C UNL d 1 21.137 10.460 -7.778 0.00 0.00 0.113 A ATOM 22 C UNL d 1 22.479 10.831 -7.779 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 19.721 7.920 -10.868 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 19.370 8.732 -11.271 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 19.251 9.058 -8.515 0.00 0.00 0.273 C ATOM 26 O UNL d 1 18.610 9.166 -7.477 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 20.333 11.020 -6.819 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 19.434 10.681 -7.003 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 22.785 11.772 -6.827 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 23.523 11.476 -6.277 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 24.894 10.595 -8.592 0.00 0.00 0.014 C ATOM 32 C UNL d 1 25.475 11.075 -9.928 0.00 0.00 0.015 C ATOM 33 C UNL d 1 25.215 11.522 -7.415 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 21.373 7.914 -14.342 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 22.311 8.131 -14.471 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 21.418 7.184 -16.895 0.00 0.00 0.273 C ATOM 37 O UNL d 1 21.303 7.550 -18.058 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 19.527 1.979 -15.025 0.00 0.00 0.014 C ATOM 39 C UNL d 1 18.280 1.449 -15.743 0.00 0.00 0.015 C ATOM 40 C UNL d 1 20.703 0.997 -15.035 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 20.327 5.241 -18.607 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 21.260 5.413 -18.838 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 19.451 2.952 -17.851 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 19.572 2.019 -17.632 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11