REMARK VINA RESULT: -6.7 1.170 2.150 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 -6.439 -4.688 3.581 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -7.041 -3.422 3.546 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.567 -5.023 4.629 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -6.706 -2.480 4.530 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -5.256 -4.082 5.612 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -5.813 -2.807 5.555 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -8.003 -3.000 2.500 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -9.208 -3.182 2.598 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -7.346 -2.471 1.442 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -8.157 -2.118 0.310 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -7.442 -2.580 -0.929 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -7.048 -3.918 -1.055 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -6.189 -4.304 -2.082 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -5.729 -3.358 -2.996 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -6.167 -2.037 -2.917 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -7.028 -1.650 -1.891 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 -6.587 -5.687 2.496 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -7.658 -6.057 2.055 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -5.363 -6.192 2.230 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -4.792 -5.917 0.943 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -3.617 -4.967 1.151 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -4.036 -3.516 0.897 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -3.241 -2.868 -0.221 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9