REMARK VINA RESULT: -4.6 1.832 2.997 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 11.730 3.269 -8.248 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 11.228 3.720 -9.605 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 10.403 2.891 -10.379 0.00 0.00 0.010 A ATOM 4 C UNL d 1 9.983 3.287 -11.654 0.00 0.00 0.037 A ATOM 5 C UNL d 1 10.398 4.515 -12.158 0.00 0.00 0.065 A ATOM 6 C UNL d 1 11.205 5.355 -11.406 0.00 0.00 0.037 A ATOM 7 C UNL d 1 11.618 4.963 -10.130 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 10.032 4.934 -13.403 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 10.382 4.305 -14.056 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 12.633 2.058 -8.317 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 13.915 2.154 -8.883 0.00 0.00 0.010 A ATOM 12 C UNL d 1 14.717 1.019 -9.035 0.00 0.00 0.037 A ATOM 13 C UNL d 1 14.243 -0.217 -8.609 0.00 0.00 0.065 A ATOM 14 C UNL d 1 12.994 -0.329 -8.008 0.00 0.00 0.037 A ATOM 15 C UNL d 1 12.189 0.804 -7.868 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 14.981 -1.353 -8.765 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 14.793 -1.943 -8.017 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4