REMARK VINA RESULT: -5.0 0.049 6.082 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 10.057 3.166 -11.257 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 10.909 2.664 -10.109 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 12.123 2.003 -10.350 0.00 0.00 0.010 A ATOM 4 C UNL d 1 12.884 1.494 -9.292 0.00 0.00 0.037 A ATOM 5 C UNL d 1 12.424 1.642 -7.988 0.00 0.00 0.065 A ATOM 6 C UNL d 1 11.233 2.302 -7.725 0.00 0.00 0.037 A ATOM 7 C UNL d 1 10.476 2.816 -8.782 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 13.120 1.145 -6.926 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 12.702 1.461 -6.107 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 10.708 4.283 -12.042 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 11.171 5.438 -11.390 0.00 0.00 0.010 A ATOM 12 C UNL d 1 11.687 6.513 -12.121 0.00 0.00 0.037 A ATOM 13 C UNL d 1 11.754 6.430 -13.506 0.00 0.00 0.065 A ATOM 14 C UNL d 1 11.341 5.280 -14.169 0.00 0.00 0.037 A ATOM 15 C UNL d 1 10.814 4.212 -13.440 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 12.225 7.467 -14.258 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 12.930 7.129 -14.834 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4