REMARK VINA RESULT: -3.3 1.541 9.208 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 -1.915 15.806 -18.090 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -4.713 15.153 -18.675 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -4.059 14.536 -17.572 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -6.090 14.842 -18.997 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -2.613 16.451 -19.127 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -2.657 14.821 -17.382 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -3.946 16.081 -19.417 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -4.825 13.662 -16.742 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -6.768 13.928 -18.173 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -6.156 13.363 -17.057 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -2.048 17.499 -20.061 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.484 16.128 -17.751 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -0.126 17.081 -16.780 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 1.236 17.319 -16.490 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -1.082 17.877 -15.926 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.325 16.734 -17.169 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 1.997 15.815 -18.207 0.00 0.00 0.025 A ATOM 18 C UNL d 1 3.702 17.038 -16.844 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 0.606 15.483 -18.395 0.00 0.00 0.089 A ATOM 20 C UNL d 1 3.073 15.269 -18.974 0.00 0.00 0.051 A ATOM 21 C UNL d 1 4.396 15.560 -18.656 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.707 16.412 -17.598 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 0.353 14.409 -19.228 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.393 14.610 -19.819 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 2.820 14.481 -20.209 0.00 0.00 0.273 C ATOM 26 O UNL d 1 3.090 13.293 -20.335 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 5.443 15.072 -19.395 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 6.033 14.632 -18.751 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 6.057 16.589 -17.420 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 6.371 17.352 -17.923 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 4.056 18.041 -15.736 0.00 0.00 0.014 C ATOM 32 C UNL d 1 3.229 17.866 -14.457 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.565 18.115 -15.486 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -2.002 14.019 -16.464 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -1.767 13.166 -16.866 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.299 13.151 -15.455 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -3.896 12.008 -15.275 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -6.805 15.515 -20.176 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -7.234 14.538 -21.277 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -7.930 16.447 -19.713 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -6.926 12.559 -16.257 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -7.302 11.887 -16.859 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -8.076 13.534 -18.332 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -8.397 13.755 -19.216 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11