REMARK VINA RESULT: -5.5 2.407 5.411 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 44.232 66.235 55.176 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 42.111 65.556 55.976 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 45.600 62.263 54.999 0.00 0.00 0.103 C ATOM 4 C UNL d 1 43.785 63.891 55.450 0.00 0.00 0.042 C ATOM 5 C UNL d 1 44.259 62.549 55.294 0.00 0.00 0.057 C ATOM 6 C UNL d 1 46.476 63.355 54.955 0.00 0.00 0.103 C ATOM 7 C UNL d 1 44.635 64.958 55.169 0.00 0.00 0.075 C ATOM 8 C UNL d 1 45.968 64.670 54.963 0.00 0.00 0.072 C ATOM 9 C UNL d 1 42.534 64.277 55.963 0.00 0.00 0.142 C ATOM 10 C UNL d 1 42.966 66.474 55.540 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 46.058 60.965 54.833 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 46.107 60.173 56.035 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 47.332 60.417 56.940 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 47.232 60.514 58.477 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 46.158 61.318 59.103 0.00 0.00 0.092 N ATOM 16 C UNL d 1 46.639 62.602 59.658 0.00 0.00 0.298 C ATOM 17 C UNL d 1 47.637 62.431 60.814 0.00 0.00 0.198 C ATOM 18 O UNL d 1 47.069 61.678 61.894 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 46.552 60.415 61.451 0.00 0.00 0.198 C ATOM 20 C UNL d 1 45.572 60.584 60.272 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 47.845 63.345 54.905 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 48.505 64.599 54.899 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 41.760 63.321 56.649 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 41.064 62.885 56.069 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 41.584 63.212 58.036 0.00 0.00 0.035 A ATOM 26 C UNL d 1 42.613 63.522 58.942 0.00 0.00 0.056 A ATOM 27 C UNL d 1 42.423 63.384 60.318 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 43.703 63.792 61.395 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 41.210 62.914 60.799 0.00 0.00 0.138 A ATOM 30 F UNL d 1 40.998 62.785 62.117 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 40.191 62.562 59.919 0.00 0.00 0.046 A ATOM 32 C UNL d 1 40.381 62.702 58.543 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8