REMARK VINA RESULT: -7.9 0.000 0.000 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 112.517 85.790 48.784 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 111.973 84.566 49.490 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 110.608 84.461 49.801 0.00 0.00 0.010 A ATOM 4 C UNL d 1 110.117 83.353 50.500 0.00 0.00 0.037 A ATOM 5 C UNL d 1 110.994 82.350 50.895 0.00 0.00 0.065 A ATOM 6 C UNL d 1 112.345 82.427 50.588 0.00 0.00 0.037 A ATOM 7 C UNL d 1 112.835 83.530 49.884 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 110.565 81.262 51.595 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 110.072 80.680 50.993 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 113.034 86.848 49.734 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 113.512 86.493 51.006 0.00 0.00 0.010 A ATOM 12 C UNL d 1 113.903 87.474 51.922 0.00 0.00 0.037 A ATOM 13 C UNL d 1 113.828 88.815 51.564 0.00 0.00 0.065 A ATOM 14 C UNL d 1 113.399 89.187 50.296 0.00 0.00 0.037 A ATOM 15 C UNL d 1 112.996 88.207 49.385 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 114.173 89.804 52.438 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 113.551 89.782 53.184 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4