REMARK VINA RESULT: -8.3 0.051 6.089 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 0.396 -4.939 4.262 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -0.547 -4.079 5.078 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -1.882 -4.464 5.275 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -2.766 -3.643 5.985 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -2.314 -2.430 6.493 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -0.995 -2.036 6.320 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -0.110 -2.858 5.617 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -3.142 -1.588 7.173 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -3.726 -1.146 6.534 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 1.172 -5.934 5.097 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 2.550 -6.114 4.898 0.00 0.00 0.010 A ATOM 12 C UNL d 1 3.252 -7.098 5.601 0.00 0.00 0.037 A ATOM 13 C UNL d 1 2.578 -7.898 6.516 0.00 0.00 0.065 A ATOM 14 C UNL d 1 1.223 -7.710 6.760 0.00 0.00 0.037 A ATOM 15 C UNL d 1 0.520 -6.735 6.049 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 3.219 -8.889 7.201 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 4.176 -8.755 7.104 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4