REMARK VINA RESULT: -8.1 1.677 6.219 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 -1.361 -2.259 6.593 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -0.955 -3.149 5.587 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -0.542 -1.176 6.946 0.00 0.00 0.018 A ATOM 4 C UNL d 1 0.305 -2.979 4.995 0.00 0.00 0.018 A ATOM 5 C UNL d 1 0.702 -1.008 6.335 0.00 0.00 0.001 A ATOM 6 C UNL d 1 1.133 -1.916 5.371 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -1.776 -4.293 5.124 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -2.988 -4.226 4.993 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.000 -5.389 4.950 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -0.615 -6.084 6.147 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 0.731 -6.707 5.902 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 1.156 -7.789 6.684 0.00 0.00 0.009 A ATOM 13 C UNL d 1 2.479 -8.222 6.625 0.00 0.00 0.001 A ATOM 14 C UNL d 1 3.382 -7.584 5.775 0.00 0.00 0.000 A ATOM 15 C UNL d 1 2.952 -6.549 4.947 0.00 0.00 0.001 A ATOM 16 C UNL d 1 1.628 -6.116 5.003 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 -2.588 -2.454 7.401 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -3.410 -1.582 7.611 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -2.523 -3.683 7.958 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -3.753 -4.298 8.368 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -3.576 -5.808 8.250 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -4.711 -6.549 8.961 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -5.921 -5.666 9.205 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9