REMARK VINA RESULT: -6.6 1.781 2.730 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 30.279 78.102 101.989 0.00 0.00 0.055 A ATOM 2 C UNL d 1 30.217 77.414 103.211 0.00 0.00 0.055 A ATOM 3 C UNL d 1 29.196 78.890 101.572 0.00 0.00 0.018 A ATOM 4 C UNL d 1 29.037 77.471 103.966 0.00 0.00 0.018 A ATOM 5 C UNL d 1 28.034 78.953 102.343 0.00 0.00 0.001 A ATOM 6 C UNL d 1 27.948 78.233 103.532 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 31.329 76.592 103.746 0.00 0.00 0.294 C ATOM 8 O UNL d 1 31.647 75.516 103.263 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 31.859 77.176 104.846 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 31.634 76.493 106.090 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 32.975 76.114 106.654 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 33.655 76.998 107.502 0.00 0.00 0.009 A ATOM 13 C UNL d 1 34.986 76.761 107.841 0.00 0.00 0.001 A ATOM 14 C UNL d 1 35.640 75.635 107.346 0.00 0.00 0.000 A ATOM 15 C UNL d 1 34.952 74.717 106.555 0.00 0.00 0.001 A ATOM 16 C UNL d 1 33.620 74.951 106.215 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 31.406 77.963 101.036 0.00 0.00 0.294 C ATOM 18 O UNL d 1 31.434 77.150 100.132 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 32.404 78.768 101.457 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 33.733 78.483 100.998 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 34.390 77.564 102.023 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 35.234 78.367 103.015 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 35.556 77.582 104.274 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9