REMARK VINA RESULT: -5.4 1.038 1.775 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 -5.442 -1.355 3.417 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -5.834 -1.474 1.959 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -7.040 -0.929 1.492 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -7.425 -1.084 0.155 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -6.604 -1.795 -0.714 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -5.403 -2.333 -0.276 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -5.014 -2.171 1.057 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -6.947 -1.990 -2.019 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -7.321 -1.164 -2.368 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -4.872 -2.635 3.989 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.485 -2.790 4.150 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -2.948 -4.003 4.588 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -3.798 -5.064 4.880 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.175 -4.919 4.769 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -5.711 -3.711 4.319 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -3.312 -6.273 5.284 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -4.054 -6.803 5.618 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4