REMARK VINA RESULT: -4.2 2.112 5.886 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 44.353 63.992 58.540 0.00 0.00 0.055 C ATOM 2 C UNL d 1 45.307 63.513 57.633 0.00 0.00 0.055 C ATOM 3 C UNL d 1 44.508 63.723 59.913 0.00 0.00 0.018 C ATOM 4 C UNL d 1 46.289 62.617 58.080 0.00 0.00 0.018 C ATOM 5 C UNL d 1 45.527 62.881 60.358 0.00 0.00 0.001 C ATOM 6 C UNL d 1 46.386 62.289 59.436 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 43.060 64.607 58.146 0.00 0.00 0.294 C ATOM 8 O UNL d 1 42.097 63.943 57.801 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 43.226 65.942 57.978 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 42.411 66.616 56.997 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 42.983 66.587 55.582 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 43.172 67.966 54.953 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 42.853 69.132 55.886 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 45.334 63.906 56.211 0.00 0.00 0.294 C ATOM 15 O UNL d 1 44.668 63.364 55.346 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 46.281 64.862 56.023 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 47.083 64.753 54.833 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 48.470 64.176 55.116 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 48.776 62.915 54.309 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 48.073 61.693 54.886 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10