REMARK VINA RESULT: -7.8 0.964 1.324 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 1 111.568 85.925 48.992 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 111.639 84.578 49.681 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 110.475 83.940 50.137 0.00 0.00 0.010 A ATOM 4 C UNL d 1 110.548 82.721 50.819 0.00 0.00 0.037 A ATOM 5 C UNL d 1 111.790 82.141 51.053 0.00 0.00 0.065 A ATOM 6 C UNL d 1 112.952 82.748 50.602 0.00 0.00 0.037 A ATOM 7 C UNL d 1 112.880 83.963 49.914 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 111.911 80.965 51.731 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 111.156 80.397 51.503 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 112.146 87.052 49.822 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 113.242 87.794 49.353 0.00 0.00 0.010 A ATOM 12 C UNL d 1 113.838 88.772 50.155 0.00 0.00 0.037 A ATOM 13 C UNL d 1 113.330 89.020 51.425 0.00 0.00 0.065 A ATOM 14 C UNL d 1 112.220 88.326 51.893 0.00 0.00 0.037 A ATOM 15 C UNL d 1 111.633 87.340 51.096 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 113.900 89.945 52.249 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 113.235 90.624 52.451 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4