REMARK VINA RESULT: -4.3 1.754 3.492 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 17.217 -30.436 -3.689 0.00 0.00 0.055 A ATOM 2 C UNL d 1 16.850 -30.393 -2.335 0.00 0.00 0.055 A ATOM 3 C UNL d 1 16.461 -31.191 -4.598 0.00 0.00 0.018 A ATOM 4 C UNL d 1 15.765 -31.168 -1.899 0.00 0.00 0.018 A ATOM 5 C UNL d 1 15.373 -31.943 -4.153 0.00 0.00 0.001 A ATOM 6 C UNL d 1 15.033 -31.944 -2.803 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 17.567 -29.590 -1.316 0.00 0.00 0.294 C ATOM 8 O UNL d 1 17.416 -28.383 -1.200 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 18.425 -30.371 -0.619 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 19.622 -29.730 -0.152 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 20.696 -30.777 -0.054 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 21.736 -30.805 -0.991 0.00 0.00 0.009 A ATOM 13 C UNL d 1 22.599 -31.898 -1.049 0.00 0.00 0.001 A ATOM 14 C UNL d 1 22.435 -32.961 -0.165 0.00 0.00 0.000 A ATOM 15 C UNL d 1 21.443 -32.913 0.813 0.00 0.00 0.001 A ATOM 16 C UNL d 1 20.580 -31.820 0.874 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 18.447 -29.799 -4.216 0.00 0.00 0.294 C ATOM 18 O UNL d 1 18.450 -28.829 -4.949 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 19.496 -30.574 -3.865 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 19.706 -31.788 -4.600 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 20.093 -32.873 -3.600 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 18.873 -33.703 -3.193 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 18.609 -33.659 -1.700 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9