REMARK VINA RESULT: -3.5 2.626 3.380 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 35.225 6.947 31.600 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 34.378 8.014 30.938 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 34.240 9.285 31.516 0.00 0.00 0.010 A ATOM 4 C UNL d 1 33.415 10.252 30.931 0.00 0.00 0.037 A ATOM 5 C UNL d 1 32.720 9.943 29.767 0.00 0.00 0.065 A ATOM 6 C UNL d 1 32.850 8.696 29.172 0.00 0.00 0.037 A ATOM 7 C UNL d 1 33.679 7.733 29.752 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 31.889 10.845 29.172 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 32.144 11.738 29.460 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 34.408 5.887 32.306 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 34.107 6.009 33.673 0.00 0.00 0.010 A ATOM 12 C UNL d 1 33.434 4.988 34.350 0.00 0.00 0.037 A ATOM 13 C UNL d 1 33.047 3.846 33.659 0.00 0.00 0.065 A ATOM 14 C UNL d 1 33.297 3.722 32.298 0.00 0.00 0.037 A ATOM 15 C UNL d 1 33.980 4.737 31.624 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 32.414 2.815 34.289 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 32.937 2.566 35.068 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4