REMARK VINA RESULT: -5.2 3.075 4.103 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 -2.636 -0.396 1.303 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -2.390 -1.320 0.129 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -3.452 -1.764 -0.673 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -3.230 -2.659 -1.725 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -1.940 -3.118 -1.971 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -0.873 -2.684 -1.198 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -1.094 -1.784 -0.152 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -1.678 -4.006 -2.971 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -1.992 -3.629 -3.810 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -3.532 -1.000 2.362 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.056 -2.015 3.207 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -3.907 -2.642 4.122 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -5.236 -2.245 4.204 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.719 -1.214 3.407 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -4.872 -0.597 2.483 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -6.106 -2.850 5.063 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -5.911 -3.801 5.074 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4