REMARK VINA RESULT: -7.9 0.982 5.834 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 1 111.457 85.909 48.997 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 112.080 87.027 49.807 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 113.143 87.783 49.290 0.00 0.00 0.010 A ATOM 4 C UNL d 1 113.752 88.781 50.059 0.00 0.00 0.037 A ATOM 5 C UNL d 1 113.300 89.018 51.353 0.00 0.00 0.065 A ATOM 6 C UNL d 1 112.243 88.290 51.880 0.00 0.00 0.037 A ATOM 7 C UNL d 1 111.630 87.299 51.109 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 113.876 89.965 52.147 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 113.271 90.723 52.213 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 111.577 84.554 49.659 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 110.435 83.887 50.135 0.00 0.00 0.010 A ATOM 12 C UNL d 1 110.551 82.680 50.830 0.00 0.00 0.037 A ATOM 13 C UNL d 1 111.809 82.128 51.041 0.00 0.00 0.065 A ATOM 14 C UNL d 1 112.948 82.748 50.543 0.00 0.00 0.037 A ATOM 15 C UNL d 1 112.833 83.961 49.859 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 111.967 80.967 51.739 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 111.090 80.572 51.876 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4