REMARK VINA RESULT: -4.2 2.276 3.643 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 44.949 63.610 57.570 0.00 0.00 0.055 C ATOM 2 C UNL d 1 43.953 64.125 58.411 0.00 0.00 0.055 C ATOM 3 C UNL d 1 45.945 62.775 58.109 0.00 0.00 0.018 C ATOM 4 C UNL d 1 44.073 63.957 59.798 0.00 0.00 0.018 C ATOM 5 C UNL d 1 46.021 62.561 59.485 0.00 0.00 0.001 C ATOM 6 C UNL d 1 45.115 63.193 60.333 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 45.159 64.040 56.164 0.00 0.00 0.294 C ATOM 8 O UNL d 1 44.522 63.575 55.235 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 46.296 64.774 56.081 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 47.025 64.771 54.835 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 48.493 64.374 54.971 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 48.813 62.970 54.466 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 47.598 62.184 53.979 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 42.767 64.843 57.907 0.00 0.00 0.294 C ATOM 15 O UNL d 1 41.752 64.288 57.522 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 43.036 66.173 57.840 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 42.311 66.931 56.854 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 42.951 66.849 55.468 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 43.280 68.218 54.874 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 42.870 69.350 55.807 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10