REMARK VINA RESULT: -7.5 1.855 5.838 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 3.946 4.001 3.110 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 3.011 4.872 3.924 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 3.348 5.269 5.227 0.00 0.00 0.010 A ATOM 4 C UNL d 1 2.461 6.029 5.996 0.00 0.00 0.037 A ATOM 5 C UNL d 1 1.228 6.387 5.463 0.00 0.00 0.065 A ATOM 6 C UNL d 1 0.878 6.015 4.173 0.00 0.00 0.037 A ATOM 7 C UNL d 1 1.767 5.262 3.402 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 0.322 7.109 6.181 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 0.744 7.937 6.469 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 5.124 3.483 3.906 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 4.985 2.362 4.740 0.00 0.00 0.010 A ATOM 12 C UNL d 1 6.043 1.936 5.548 0.00 0.00 0.037 A ATOM 13 C UNL d 1 7.250 2.625 5.515 0.00 0.00 0.065 A ATOM 14 C UNL d 1 7.424 3.711 4.666 0.00 0.00 0.037 A ATOM 15 C UNL d 1 6.362 4.144 3.868 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 8.299 2.259 6.308 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 8.055 1.445 6.778 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4