REMARK VINA RESULT: -7.9 0.782 5.456 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 1 111.552 87.103 50.650 0.00 0.00 0.055 A ATOM 2 C UNL d 1 111.962 86.873 51.972 0.00 0.00 0.055 A ATOM 3 C UNL d 1 111.036 88.355 50.284 0.00 0.00 0.018 A ATOM 4 C UNL d 1 111.784 87.884 52.928 0.00 0.00 0.018 A ATOM 5 C UNL d 1 110.882 89.360 51.240 0.00 0.00 0.001 A ATOM 6 C UNL d 1 111.242 89.121 52.564 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 112.554 85.595 52.436 0.00 0.00 0.294 C ATOM 8 O UNL d 1 111.967 84.827 53.183 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 113.818 85.465 51.971 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 114.807 85.073 52.936 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 115.064 86.250 53.835 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 115.443 87.482 53.287 0.00 0.00 0.009 A ATOM 13 C UNL d 1 115.904 88.505 54.113 0.00 0.00 0.001 A ATOM 14 C UNL d 1 115.978 88.308 55.490 0.00 0.00 0.000 A ATOM 15 C UNL d 1 115.543 87.108 56.050 0.00 0.00 0.001 A ATOM 16 C UNL d 1 115.079 86.084 55.226 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 1 111.531 86.046 49.612 0.00 0.00 0.294 C ATOM 18 O UNL d 1 112.229 86.058 48.616 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 110.519 85.201 49.903 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 110.643 83.836 49.480 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 110.421 82.951 50.702 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 111.681 82.146 51.030 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 112.910 82.664 50.306 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9