REMARK VINA RESULT: -7.2 1.832 5.973 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 -5.569 -1.232 1.933 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -5.365 -1.686 3.364 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -4.074 -1.844 3.891 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -3.887 -2.314 5.196 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -4.994 -2.635 5.973 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -6.280 -2.476 5.475 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -6.467 -2.000 4.175 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -4.861 -3.116 7.241 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -4.970 -2.378 7.865 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -5.014 -2.201 0.913 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -5.780 -3.293 0.475 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -5.238 -4.243 -0.396 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -3.929 -4.097 -0.841 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -3.167 -3.002 -0.454 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -3.705 -2.059 0.426 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -3.353 -5.017 -1.668 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -3.845 -5.850 -1.586 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4