REMARK VINA RESULT: -4.2 0.161 1.255 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 19.962 4.724 -12.457 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 21.135 5.542 -11.956 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 21.995 5.037 -10.969 0.00 0.00 0.010 A ATOM 4 C UNL d 1 23.047 5.814 -10.471 0.00 0.00 0.037 A ATOM 5 C UNL d 1 23.234 7.103 -10.956 0.00 0.00 0.065 A ATOM 6 C UNL d 1 22.403 7.619 -11.940 0.00 0.00 0.037 A ATOM 7 C UNL d 1 21.357 6.841 -12.443 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 24.231 7.905 -10.486 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 24.419 8.588 -11.152 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 20.170 4.173 -13.851 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 21.061 3.111 -14.073 0.00 0.00 0.010 A ATOM 12 C UNL d 1 21.327 2.661 -15.370 0.00 0.00 0.037 A ATOM 13 C UNL d 1 20.690 3.264 -16.448 0.00 0.00 0.065 A ATOM 14 C UNL d 1 19.773 4.288 -16.248 0.00 0.00 0.037 A ATOM 15 C UNL d 1 19.517 4.746 -14.953 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 20.943 2.874 -17.731 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 20.156 3.063 -18.267 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4