REMARK VINA RESULT: -5.7 3.757 6.071 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 16.514 42.087 25.801 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 16.587 44.452 25.756 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 12.519 42.039 24.489 0.00 0.00 0.103 C ATOM 4 C UNL d 1 14.575 43.299 25.065 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.246 43.237 24.538 0.00 0.00 0.057 C ATOM 6 C UNL d 1 13.127 40.917 25.067 0.00 0.00 0.103 C ATOM 7 C UNL d 1 15.232 42.122 25.415 0.00 0.00 0.075 C ATOM 8 C UNL d 1 14.485 40.963 25.442 0.00 0.00 0.072 C ATOM 9 C UNL d 1 15.297 44.468 25.368 0.00 0.00 0.142 C ATOM 10 C UNL d 1 17.151 43.259 25.913 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 11.237 41.974 23.965 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 10.282 42.866 24.570 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 9.991 42.613 26.063 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 10.519 43.529 27.188 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 10.991 42.943 28.463 0.00 0.00 0.092 N ATOM 16 C UNL d 1 10.715 43.801 29.636 0.00 0.00 0.298 C ATOM 17 C UNL d 1 11.458 45.145 29.597 0.00 0.00 0.198 C ATOM 18 O UNL d 1 12.878 44.959 29.521 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 13.249 44.119 28.419 0.00 0.00 0.198 C ATOM 20 C UNL d 1 12.482 42.781 28.442 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 12.568 39.698 25.347 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 12.005 39.521 26.635 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 14.603 45.691 25.441 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 13.822 45.665 26.073 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 14.620 46.730 24.500 0.00 0.00 0.035 A ATOM 26 C UNL d 1 15.396 46.661 23.330 0.00 0.00 0.056 A ATOM 27 C UNL d 1 15.415 47.718 22.418 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 16.365 47.586 20.989 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 14.676 48.863 22.679 0.00 0.00 0.138 A ATOM 30 F UNL d 1 14.668 49.887 21.814 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 13.933 48.970 23.851 0.00 0.00 0.046 A ATOM 32 C UNL d 1 13.913 47.912 24.762 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8