REMARK VINA RESULT: -5.9 4.799 9.411 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 0.840 5.810 3.166 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 0.181 6.660 5.273 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 4.471 4.365 4.721 0.00 0.00 0.103 C ATOM 4 C UNL d 1 2.282 5.481 5.058 0.00 0.00 0.042 C ATOM 5 C UNL d 1 3.488 4.900 5.566 0.00 0.00 0.057 C ATOM 6 C UNL d 1 4.255 4.511 3.344 0.00 0.00 0.103 C ATOM 7 C UNL d 1 1.998 5.398 3.697 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.003 4.948 2.866 0.00 0.00 0.072 C ATOM 9 C UNL d 1 1.351 6.239 5.791 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -0.041 6.387 3.992 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 5.632 3.789 5.211 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 5.523 2.397 5.564 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 6.668 1.494 5.061 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 7.383 1.719 3.711 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 8.718 2.357 3.675 0.00 0.00 0.092 N ATOM 16 C UNL d 1 8.664 3.831 3.780 0.00 0.00 0.298 C ATOM 17 C UNL d 1 7.948 4.500 2.596 0.00 0.00 0.198 C ATOM 18 O UNL d 1 8.578 4.177 1.349 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 8.697 2.760 1.161 0.00 0.00 0.198 C ATOM 20 C UNL d 1 9.390 2.084 2.363 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 5.133 4.282 2.318 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 5.020 3.050 1.627 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 1.725 6.729 7.057 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 2.656 6.460 7.325 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 0.872 7.162 8.082 0.00 0.00 0.035 A ATOM 26 C UNL d 1 0.252 6.260 8.964 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -0.612 6.713 9.963 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -1.337 5.576 11.034 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.880 8.069 10.075 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -1.697 8.530 11.034 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.310 8.976 9.187 0.00 0.00 0.046 A ATOM 32 C UNL d 1 0.555 8.524 8.189 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8