REMARK VINA RESULT: -6.5 0.021 9.076 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 14.209 2.869 -8.914 0.00 0.00 0.017 A ATOM 2 C UNL d 1 15.298 1.142 -6.810 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 14.559 0.569 -7.883 0.00 0.00 0.025 A ATOM 4 C UNL d 1 15.837 0.317 -5.750 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 15.004 3.394 -7.880 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 13.967 1.469 -8.842 0.00 0.00 0.089 A ATOM 7 C UNL d 1 15.475 2.544 -6.852 0.00 0.00 0.020 A ATOM 8 C UNL d 1 14.435 -0.853 -7.927 0.00 0.00 0.051 A ATOM 9 C UNL d 1 15.628 -1.070 -5.823 0.00 0.00 0.107 A ATOM 10 C UNL d 1 14.957 -1.647 -6.899 0.00 0.00 0.113 A ATOM 11 C UNL d 1 15.373 4.849 -7.693 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 13.647 3.723 -10.021 0.00 0.00 0.017 A ATOM 13 C UNL d 1 12.330 4.216 -10.010 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 11.871 5.032 -11.066 0.00 0.00 0.020 A ATOM 15 C UNL d 1 11.315 4.008 -8.911 0.00 0.00 0.049 C ATOM 16 C UNL d 1 12.607 5.347 -12.228 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 13.922 4.806 -12.303 0.00 0.00 0.025 A ATOM 18 C UNL d 1 12.073 6.170 -13.292 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 14.420 4.089 -11.155 0.00 0.00 0.089 A ATOM 20 C UNL d 1 14.665 5.031 -13.505 0.00 0.00 0.051 A ATOM 21 C UNL d 1 14.149 5.827 -14.523 0.00 0.00 0.113 A ATOM 22 C UNL d 1 12.886 6.403 -14.411 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 15.773 3.804 -11.165 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 16.032 3.368 -10.337 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 15.948 4.326 -13.763 0.00 0.00 0.273 C ATOM 26 O UNL d 1 17.032 4.887 -13.870 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 14.831 6.033 -15.696 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 14.701 6.979 -15.908 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 12.534 7.158 -15.503 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 12.746 6.693 -16.324 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 10.648 6.740 -13.218 0.00 0.00 0.014 C ATOM 32 C UNL d 1 9.554 5.666 -13.173 0.00 0.00 0.015 C ATOM 33 C UNL d 1 10.508 7.805 -12.126 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 13.058 0.900 -9.717 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 13.052 1.382 -10.561 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 13.881 -1.550 -9.111 0.00 0.00 0.273 C ATOM 37 O UNL d 1 12.737 -1.984 -9.187 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 16.647 0.928 -4.597 0.00 0.00 0.014 C ATOM 39 C UNL d 1 17.607 2.039 -5.039 0.00 0.00 0.015 C ATOM 40 C UNL d 1 15.759 1.321 -3.413 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 14.887 -3.016 -6.934 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 15.433 -3.319 -6.183 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 16.082 -1.992 -4.910 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 15.562 -2.805 -4.953 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11