REMARK VINA RESULT: -4.3 0.106 1.252 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 19.989 4.686 -12.462 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 21.093 5.562 -11.906 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 21.252 6.885 -12.346 0.00 0.00 0.010 A ATOM 4 C UNL d 1 22.303 7.676 -11.869 0.00 0.00 0.037 A ATOM 5 C UNL d 1 23.203 7.139 -10.956 0.00 0.00 0.065 A ATOM 6 C UNL d 1 23.058 5.837 -10.499 0.00 0.00 0.037 A ATOM 7 C UNL d 1 22.004 5.049 -10.968 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 24.255 7.864 -10.480 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 23.950 8.770 -10.300 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 20.259 4.208 -13.872 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 19.652 4.839 -14.969 0.00 0.00 0.010 A ATOM 12 C UNL d 1 19.823 4.343 -16.265 0.00 0.00 0.037 A ATOM 13 C UNL d 1 20.615 3.219 -16.468 0.00 0.00 0.065 A ATOM 14 C UNL d 1 21.260 2.603 -15.403 0.00 0.00 0.037 A ATOM 15 C UNL d 1 21.078 3.092 -14.107 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 20.785 2.686 -17.713 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 21.467 3.201 -18.174 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4