REMARK VINA RESULT: -4.7 1.457 1.682 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 12.687 3.086 -11.261 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 11.824 4.236 -11.740 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 12.122 5.558 -11.379 0.00 0.00 0.010 A ATOM 4 C UNL d 1 11.295 6.613 -11.779 0.00 0.00 0.037 A ATOM 5 C UNL d 1 10.161 6.343 -12.536 0.00 0.00 0.065 A ATOM 6 C UNL d 1 9.853 5.044 -12.914 0.00 0.00 0.037 A ATOM 7 C UNL d 1 10.683 3.991 -12.521 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 9.313 7.335 -12.931 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 9.671 7.745 -13.737 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 12.217 2.491 -9.952 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 12.809 1.323 -9.445 0.00 0.00 0.010 A ATOM 12 C UNL d 1 12.316 0.717 -8.285 0.00 0.00 0.037 A ATOM 13 C UNL d 1 11.235 1.287 -7.621 0.00 0.00 0.065 A ATOM 14 C UNL d 1 10.661 2.465 -8.081 0.00 0.00 0.037 A ATOM 15 C UNL d 1 11.146 3.063 -9.247 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 10.706 0.712 -6.502 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 11.408 0.642 -5.835 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4