REMARK VINA RESULT: -4.7 0.176 5.928 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 34.827 7.839 29.875 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 35.345 7.639 31.284 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 36.652 8.017 31.630 0.00 0.00 0.010 A ATOM 4 C UNL d 1 37.146 7.784 32.918 0.00 0.00 0.037 A ATOM 5 C UNL d 1 36.334 7.163 33.860 0.00 0.00 0.065 A ATOM 6 C UNL d 1 35.036 6.791 33.543 0.00 0.00 0.037 A ATOM 7 C UNL d 1 34.539 7.031 32.259 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 36.779 6.897 35.121 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 36.097 6.385 35.588 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 33.317 7.802 29.783 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 32.656 6.640 29.352 0.00 0.00 0.010 A ATOM 12 C UNL d 1 31.269 6.630 29.175 0.00 0.00 0.037 A ATOM 13 C UNL d 1 30.537 7.781 29.441 0.00 0.00 0.065 A ATOM 14 C UNL d 1 31.164 8.929 29.908 0.00 0.00 0.037 A ATOM 15 C UNL d 1 32.552 8.942 30.073 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 29.186 7.822 29.255 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 29.011 8.204 28.379 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4