REMARK VINA RESULT: -8.2 3.224 6.518 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 1 110.049 82.642 50.815 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 111.554 84.096 49.710 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 111.370 83.912 54.600 0.00 0.00 0.103 C ATOM 4 C UNL d 1 111.455 84.080 52.128 0.00 0.00 0.042 C ATOM 5 C UNL d 1 111.815 84.548 53.432 0.00 0.00 0.057 C ATOM 6 C UNL d 1 110.625 82.738 54.426 0.00 0.00 0.103 C ATOM 7 C UNL d 1 110.525 83.051 51.997 0.00 0.00 0.075 C ATOM 8 C UNL d 1 110.158 82.380 53.145 0.00 0.00 0.072 C ATOM 9 C UNL d 1 112.021 84.496 50.909 0.00 0.00 0.142 C ATOM 10 C UNL d 1 110.558 83.217 49.719 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 111.705 84.371 55.864 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 110.748 85.263 56.466 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 111.279 86.669 56.812 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 112.656 86.908 57.467 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 113.637 87.812 56.825 0.00 0.00 0.092 N ATOM 16 C UNL d 1 114.061 87.356 55.484 0.00 0.00 0.298 C ATOM 17 C UNL d 1 114.814 86.017 55.505 0.00 0.00 0.198 C ATOM 18 O UNL d 1 115.985 86.084 56.330 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 115.680 86.539 57.655 0.00 0.00 0.198 C ATOM 20 C UNL d 1 114.899 87.870 57.633 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 1 110.258 81.817 55.371 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 110.186 80.461 54.965 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 113.229 85.218 50.937 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 114.030 84.641 51.127 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 113.386 86.599 51.127 0.00 0.00 0.035 A ATOM 26 C UNL d 1 112.470 87.529 50.606 0.00 0.00 0.056 A ATOM 27 C UNL d 1 112.659 88.900 50.788 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 111.503 90.006 50.149 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 113.776 89.354 51.473 0.00 0.00 0.138 A ATOM 30 F UNL d 1 113.974 90.666 51.671 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 114.717 88.454 51.962 0.00 0.00 0.046 A ATOM 32 C UNL d 1 114.528 87.082 51.781 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8