REMARK VINA RESULT: -8.4 0.000 0.000 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 0.349 -4.939 4.273 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 1.146 -5.940 5.083 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 2.527 -6.089 4.885 0.00 0.00 0.010 A ATOM 4 C UNL d 1 3.253 -7.050 5.597 0.00 0.00 0.037 A ATOM 5 C UNL d 1 2.593 -7.871 6.505 0.00 0.00 0.065 A ATOM 6 C UNL d 1 1.230 -7.733 6.725 0.00 0.00 0.037 A ATOM 7 C UNL d 1 0.506 -6.769 6.019 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 3.254 -8.835 7.206 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 4.093 -8.463 7.528 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -0.561 -4.075 5.118 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -1.891 -4.457 5.356 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -2.762 -3.617 6.056 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -2.300 -2.396 6.533 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -0.977 -2.017 6.347 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -0.110 -2.851 5.636 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -3.125 -1.535 7.197 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -2.683 -0.672 7.253 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4