REMARK VINA RESULT: -8.1 3.037 6.025 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 1 110.261 84.678 49.973 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 110.591 83.281 51.855 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 113.505 87.131 51.042 0.00 0.00 0.103 C ATOM 4 C UNL d 1 112.091 85.138 51.460 0.00 0.00 0.042 C ATOM 5 C UNL d 1 113.239 85.945 51.741 0.00 0.00 0.057 C ATOM 6 C UNL d 1 112.540 87.536 50.111 0.00 0.00 0.103 C ATOM 7 C UNL d 1 111.280 85.450 50.371 0.00 0.00 0.075 C ATOM 8 C UNL d 1 111.499 86.658 49.743 0.00 0.00 0.072 C ATOM 9 C UNL d 1 111.613 84.070 52.240 0.00 0.00 0.142 C ATOM 10 C UNL d 1 109.988 83.597 50.714 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 114.624 87.907 51.302 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 114.591 88.631 52.547 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 115.533 88.102 53.647 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 115.020 87.436 54.941 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 115.828 87.497 56.180 0.00 0.00 0.092 N ATOM 16 C UNL d 1 115.798 86.241 56.959 0.00 0.00 0.298 C ATOM 17 C UNL d 1 114.402 85.889 57.496 0.00 0.00 0.198 C ATOM 18 O UNL d 1 113.882 86.930 58.333 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 113.888 88.202 57.670 0.00 0.00 0.198 C ATOM 20 C UNL d 1 115.283 88.543 57.106 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 1 112.439 88.737 49.459 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 111.662 89.749 50.076 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 112.100 83.922 53.553 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 112.646 83.087 53.680 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 111.607 84.537 54.713 0.00 0.00 0.035 A ATOM 26 C UNL d 1 110.908 83.816 55.696 0.00 0.00 0.056 A ATOM 27 C UNL d 1 110.406 84.454 56.833 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 109.571 83.530 58.022 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 110.579 85.821 56.984 0.00 0.00 0.138 A ATOM 30 F UNL d 1 110.117 86.455 58.072 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 111.232 86.562 56.004 0.00 0.00 0.046 A ATOM 32 C UNL d 1 111.735 85.924 54.869 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8