REMARK VINA RESULT: -6.6 2.283 4.543 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 -6.501 -2.842 3.968 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -6.875 -4.008 3.282 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.680 -2.926 5.102 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -6.474 -5.253 3.787 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -5.273 -4.172 5.583 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -5.681 -5.335 4.936 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -7.705 -4.006 2.054 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -8.922 -4.107 2.080 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -6.919 -3.948 0.954 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -7.601 -3.986 -0.310 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -7.348 -2.679 -1.008 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -8.055 -1.531 -0.627 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -8.000 -0.380 -1.410 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -7.229 -0.366 -2.571 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -6.472 -1.481 -2.923 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -6.524 -2.633 -2.140 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 -7.018 -1.496 3.621 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -6.696 -0.881 2.623 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -7.751 -1.055 4.665 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -8.307 0.265 4.583 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -9.502 0.324 5.529 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -9.492 1.620 6.343 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -8.463 2.616 5.842 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9