REMARK VINA RESULT: -4.0 2.300 2.993 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 42.588 64.169 56.477 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 43.006 63.973 57.920 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 42.055 63.697 58.913 0.00 0.00 0.010 A ATOM 4 C UNL d 1 42.437 63.568 60.254 0.00 0.00 0.037 A ATOM 5 C UNL d 1 43.773 63.725 60.601 0.00 0.00 0.065 A ATOM 6 C UNL d 1 44.732 63.988 59.634 0.00 0.00 0.037 A ATOM 7 C UNL d 1 44.353 64.109 58.294 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 44.190 63.630 61.896 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 43.632 64.208 62.443 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 42.831 65.573 55.969 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 43.649 65.796 54.849 0.00 0.00 0.010 A ATOM 12 C UNL d 1 43.953 67.095 54.433 0.00 0.00 0.037 A ATOM 13 C UNL d 1 43.428 68.178 55.129 0.00 0.00 0.065 A ATOM 14 C UNL d 1 42.583 67.981 56.214 0.00 0.00 0.037 A ATOM 15 C UNL d 1 42.289 66.682 56.637 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 43.723 69.461 54.773 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 44.585 69.463 54.326 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4