REMARK VINA RESULT: -5.9 1.981 3.786 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 15.093 43.076 26.768 0.00 0.00 0.055 A ATOM 2 C UNL d 1 15.440 42.735 25.452 0.00 0.00 0.055 A ATOM 3 C UNL d 1 15.891 43.970 27.496 0.00 0.00 0.018 A ATOM 4 C UNL d 1 16.627 43.245 24.906 0.00 0.00 0.018 A ATOM 5 C UNL d 1 17.060 44.486 26.934 0.00 0.00 0.001 A ATOM 6 C UNL d 1 17.437 44.113 25.646 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 14.633 41.831 24.599 0.00 0.00 0.294 C ATOM 8 O UNL d 1 14.478 40.646 24.854 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 14.179 42.492 23.509 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 13.046 43.349 23.720 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 13.551 44.762 23.816 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 14.501 45.232 22.900 0.00 0.00 0.009 A ATOM 13 C UNL d 1 15.142 46.450 23.117 0.00 0.00 0.001 A ATOM 14 C UNL d 1 14.830 47.210 24.242 0.00 0.00 0.000 A ATOM 15 C UNL d 1 13.841 46.781 25.125 0.00 0.00 0.001 A ATOM 16 C UNL d 1 13.196 45.564 24.909 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 13.960 42.453 27.495 0.00 0.00 0.294 C ATOM 18 O UNL d 1 14.024 41.378 28.058 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 12.863 43.209 27.274 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 12.099 43.628 28.413 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 12.457 45.082 28.701 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 12.522 45.341 30.208 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 11.871 44.236 31.019 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9