REMARK VINA RESULT: 14.1 1.294 1.912 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 21.050 -4.873 0.709 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 22.311 -4.437 -0.008 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 23.353 -3.806 0.689 0.00 0.00 0.010 A ATOM 4 C UNL d 1 24.495 -3.357 0.016 0.00 0.00 0.037 A ATOM 5 C UNL d 1 24.591 -3.533 -1.360 0.00 0.00 0.065 A ATOM 6 C UNL d 1 23.577 -4.164 -2.067 0.00 0.00 0.037 A ATOM 7 C UNL d 1 22.440 -4.619 -1.394 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 25.674 -3.094 -2.061 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 26.456 -3.591 -1.766 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 21.264 -6.052 1.633 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 20.246 -6.998 1.831 0.00 0.00 0.010 A ATOM 12 C UNL d 1 20.404 -8.036 2.754 0.00 0.00 0.037 A ATOM 13 C UNL d 1 21.589 -8.138 3.473 0.00 0.00 0.065 A ATOM 14 C UNL d 1 22.627 -7.238 3.263 0.00 0.00 0.037 A ATOM 15 C UNL d 1 22.463 -6.194 2.349 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 21.773 -9.119 4.404 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 22.499 -9.691 4.104 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4