REMARK VINA RESULT: -5.3 1.430 5.852 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 -2.328 -1.074 2.023 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -1.889 -2.243 2.881 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -1.439 -3.436 2.295 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -1.084 -4.532 3.088 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -1.186 -4.438 4.472 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -1.618 -3.264 5.072 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -1.966 -2.166 4.281 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -0.872 -5.486 5.284 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -0.055 -5.897 4.956 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -3.814 -1.065 1.740 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -4.686 -0.297 2.528 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -6.069 -0.358 2.331 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -6.583 -1.180 1.334 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.736 -1.916 0.515 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -4.355 -1.863 0.720 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -7.927 -1.290 1.128 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -8.227 -2.127 1.517 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4