REMARK VINA RESULT: -7.6 2.269 6.001 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 -1.532 -4.935 5.335 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -2.483 -5.128 6.498 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -2.959 -6.404 6.834 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -3.878 -6.574 7.876 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -4.329 -5.462 8.578 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -3.863 -4.192 8.269 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -2.940 -4.022 7.234 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -5.239 -5.575 9.586 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -5.672 -4.713 9.710 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -0.231 -5.691 5.496 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 0.911 -5.307 4.774 0.00 0.00 0.010 A ATOM 12 C UNL d 1 2.088 -6.058 4.847 0.00 0.00 0.037 A ATOM 13 C UNL d 1 2.130 -7.189 5.654 0.00 0.00 0.065 A ATOM 14 C UNL d 1 1.026 -7.563 6.409 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -0.154 -6.820 6.326 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 3.250 -7.965 5.731 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 3.951 -7.446 6.159 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4