REMARK VINA RESULT: -5.4 1.301 1.679 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 -6.087 -3.328 4.329 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -6.222 -2.862 2.894 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -5.993 -3.743 1.826 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -6.068 -3.297 0.502 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -6.364 -1.963 0.245 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -6.605 -1.077 1.285 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -6.538 -1.523 2.608 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -6.426 -1.478 -1.027 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -7.190 -0.880 -1.093 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -4.705 -3.847 4.661 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.602 -2.978 4.686 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -2.311 -3.468 4.899 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -2.119 -4.830 5.101 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -3.200 -5.703 5.122 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -4.489 -5.214 4.896 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -0.872 -5.353 5.284 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -0.221 -4.705 4.966 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4