REMARK VINA RESULT: -4.9 1.429 2.168 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 -1.711 -0.510 11.030 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -0.473 -0.936 10.269 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 0.803 -0.523 10.681 0.00 0.00 0.010 A ATOM 4 C UNL d 1 1.941 -0.874 9.947 0.00 0.00 0.037 A ATOM 5 C UNL d 1 1.801 -1.634 8.792 0.00 0.00 0.065 A ATOM 6 C UNL d 1 0.550 -2.063 8.371 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -0.586 -1.719 9.108 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 2.878 -1.983 8.032 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 2.613 -1.977 7.097 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -2.560 0.492 10.278 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.874 0.173 9.898 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -4.628 1.058 9.123 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -4.075 2.273 8.735 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -2.792 2.628 9.135 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -2.034 1.738 9.900 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -4.767 3.152 7.955 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -4.885 2.753 7.077 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4