REMARK VINA RESULT: -8.5 0.000 0.000 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 1 112.028 87.323 51.882 0.00 0.00 0.055 A ATOM 2 C UNL d 1 111.510 87.537 50.595 0.00 0.00 0.055 A ATOM 3 C UNL d 1 111.747 88.233 52.912 0.00 0.00 0.018 A ATOM 4 C UNL d 1 110.770 88.702 50.344 0.00 0.00 0.018 A ATOM 5 C UNL d 1 110.993 89.378 52.652 0.00 0.00 0.001 A ATOM 6 C UNL d 1 110.517 89.621 51.366 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 111.725 86.608 49.460 0.00 0.00 0.294 C ATOM 8 O UNL d 1 112.570 86.801 48.600 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 110.823 85.599 49.501 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 111.216 84.378 48.853 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 111.653 83.413 49.920 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 113.011 83.101 50.070 0.00 0.00 0.009 A ATOM 13 C UNL d 1 113.402 82.045 50.891 0.00 0.00 0.001 A ATOM 14 C UNL d 1 112.441 81.303 51.574 0.00 0.00 0.000 A ATOM 15 C UNL d 1 111.093 81.646 51.481 0.00 0.00 0.001 A ATOM 16 C UNL d 1 110.700 82.704 50.662 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 1 112.967 86.222 52.206 0.00 0.00 0.294 C ATOM 18 O UNL d 1 112.651 85.218 52.815 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 114.207 86.619 51.847 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 115.255 86.498 52.819 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 115.471 87.875 53.439 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 115.540 87.782 54.966 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 115.219 86.391 55.481 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9