REMARK VINA RESULT: -4.7 1.459 6.134 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 12.768 3.055 -11.227 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 12.254 2.444 -9.940 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 12.804 1.256 -9.437 0.00 0.00 0.010 A ATOM 4 C UNL d 1 12.293 0.665 -8.276 0.00 0.00 0.037 A ATOM 5 C UNL d 1 11.223 1.263 -7.620 0.00 0.00 0.065 A ATOM 6 C UNL d 1 10.670 2.444 -8.093 0.00 0.00 0.037 A ATOM 7 C UNL d 1 11.185 3.038 -9.248 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 10.678 0.713 -6.498 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 10.728 -0.255 -6.571 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 11.894 4.175 -11.749 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 12.179 5.512 -11.427 0.00 0.00 0.010 A ATOM 12 C UNL d 1 11.322 6.541 -11.827 0.00 0.00 0.037 A ATOM 13 C UNL d 1 10.182 6.237 -12.562 0.00 0.00 0.065 A ATOM 14 C UNL d 1 9.902 4.926 -12.928 0.00 0.00 0.037 A ATOM 15 C UNL d 1 10.752 3.896 -12.517 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 9.305 7.209 -12.948 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 9.251 7.869 -12.238 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4