REMARK VINA RESULT: -7.7 1.336 6.036 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 1 112.924 85.739 50.124 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 113.740 86.511 51.140 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 114.254 85.876 52.282 0.00 0.00 0.010 A ATOM 4 C UNL d 1 114.964 86.601 53.245 0.00 0.00 0.037 A ATOM 5 C UNL d 1 115.153 87.968 53.070 0.00 0.00 0.065 A ATOM 6 C UNL d 1 114.664 88.613 51.944 0.00 0.00 0.037 A ATOM 7 C UNL d 1 113.961 87.888 50.978 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 115.819 88.719 53.991 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 115.197 88.971 54.694 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 112.320 84.469 50.682 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 112.926 83.225 50.444 0.00 0.00 0.010 A ATOM 12 C UNL d 1 112.322 82.041 50.877 0.00 0.00 0.037 A ATOM 13 C UNL d 1 111.115 82.099 51.562 0.00 0.00 0.065 A ATOM 14 C UNL d 1 110.518 83.321 51.846 0.00 0.00 0.037 A ATOM 15 C UNL d 1 111.115 84.503 51.402 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 110.478 80.965 51.977 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 109.595 81.211 52.296 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4