REMARK VINA RESULT: -4.5 1.732 2.333 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 38.594 -37.088 -45.247 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 38.304 -38.547 -44.958 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 37.768 -39.384 -45.949 0.00 0.00 0.010 A ATOM 4 C UNL d 1 37.453 -40.717 -45.665 0.00 0.00 0.037 A ATOM 5 C UNL d 1 37.668 -41.213 -44.384 0.00 0.00 0.065 A ATOM 6 C UNL d 1 38.207 -40.406 -43.392 0.00 0.00 0.037 A ATOM 7 C UNL d 1 38.529 -39.077 -43.677 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 37.357 -42.498 -44.055 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 37.959 -43.094 -44.532 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 37.347 -36.273 -45.514 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 37.388 -35.168 -46.380 0.00 0.00 0.010 A ATOM 12 C UNL d 1 36.264 -34.356 -46.557 0.00 0.00 0.037 A ATOM 13 C UNL d 1 35.089 -34.656 -45.876 0.00 0.00 0.065 A ATOM 14 C UNL d 1 35.013 -35.768 -45.047 0.00 0.00 0.037 A ATOM 15 C UNL d 1 36.141 -36.572 -44.861 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 33.978 -33.873 -45.999 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 34.178 -33.000 -45.623 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4