REMARK VINA RESULT: -5.7 2.169 5.200 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 15.902 43.027 24.710 0.00 0.00 0.055 A ATOM 2 C UNL d 1 15.624 44.397 24.579 0.00 0.00 0.055 A ATOM 3 C UNL d 1 16.588 42.555 25.839 0.00 0.00 0.018 A ATOM 4 C UNL d 1 16.101 45.285 25.553 0.00 0.00 0.018 A ATOM 5 C UNL d 1 17.042 43.449 26.811 0.00 0.00 0.001 A ATOM 6 C UNL d 1 16.812 44.814 26.662 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 14.870 44.974 23.441 0.00 0.00 0.294 C ATOM 8 O UNL d 1 15.415 45.559 22.517 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 13.539 44.814 23.627 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 12.783 46.018 23.831 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 12.464 46.116 25.297 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 12.414 47.369 25.922 0.00 0.00 0.009 A ATOM 13 C UNL d 1 12.350 47.458 27.311 0.00 0.00 0.001 A ATOM 14 C UNL d 1 12.323 46.298 28.082 0.00 0.00 0.000 A ATOM 15 C UNL d 1 12.307 45.048 27.466 0.00 0.00 0.001 A ATOM 16 C UNL d 1 12.369 44.956 26.077 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 15.600 42.033 23.653 0.00 0.00 0.294 C ATOM 18 O UNL d 1 15.979 42.130 22.502 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 14.730 41.137 24.167 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 13.335 41.321 23.887 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 12.604 41.413 25.222 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 13.378 40.681 26.321 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 13.514 41.506 27.588 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9