REMARK VINA RESULT: -5.6 1.351 5.950 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 9.270 -14.898 6.645 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 10.327 -13.920 7.118 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 10.272 -12.567 6.750 0.00 0.00 0.010 A ATOM 4 C UNL d 1 11.276 -11.677 7.144 0.00 0.00 0.037 A ATOM 5 C UNL d 1 12.344 -12.144 7.903 0.00 0.00 0.065 A ATOM 6 C UNL d 1 12.413 -13.475 8.288 0.00 0.00 0.037 A ATOM 7 C UNL d 1 11.406 -14.363 7.900 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 13.357 -11.319 8.293 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 13.769 -10.939 7.499 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.305 -15.140 5.151 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 9.893 -14.200 4.289 0.00 0.00 0.010 A ATOM 12 C UNL d 1 9.844 -14.373 2.903 0.00 0.00 0.037 A ATOM 13 C UNL d 1 9.219 -15.496 2.375 0.00 0.00 0.065 A ATOM 14 C UNL d 1 8.668 -16.460 3.210 0.00 0.00 0.037 A ATOM 15 C UNL d 1 8.705 -16.280 4.595 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 9.125 -15.689 1.027 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 8.333 -15.226 0.708 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4