REMARK VINA RESULT: -5.9 3.428 7.089 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 10.573 43.129 28.890 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 10.559 45.495 28.873 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 14.580 42.996 27.623 0.00 0.00 0.103 C ATOM 4 C UNL d 1 12.585 44.301 28.305 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.972 44.214 27.958 0.00 0.00 0.057 C ATOM 6 C UNL d 1 13.740 41.876 27.555 0.00 0.00 0.103 C ATOM 7 C UNL d 1 11.838 43.135 28.453 0.00 0.00 0.075 C ATOM 8 C UNL d 1 12.419 41.954 28.042 0.00 0.00 0.072 C ATOM 9 C UNL d 1 11.832 45.482 28.433 0.00 0.00 0.142 C ATOM 10 C UNL d 1 10.000 44.316 29.124 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 15.925 42.906 27.301 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 16.610 44.167 27.171 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 16.955 44.588 25.728 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 15.892 44.725 24.617 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 15.798 43.704 23.549 0.00 0.00 0.092 N ATOM 16 C UNL d 1 15.238 44.232 22.286 0.00 0.00 0.298 C ATOM 17 C UNL d 1 13.782 44.705 22.416 0.00 0.00 0.198 C ATOM 18 O UNL d 1 12.922 43.649 22.864 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 13.395 43.055 24.080 0.00 0.00 0.198 C ATOM 20 C UNL d 1 14.866 42.604 23.959 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 14.019 40.634 27.052 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 12.981 39.966 26.354 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 12.363 46.681 27.919 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 12.535 47.373 28.627 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 12.295 47.136 26.594 0.00 0.00 0.035 A ATOM 26 C UNL d 1 13.450 47.337 25.818 0.00 0.00 0.056 A ATOM 27 C UNL d 1 13.360 47.813 24.508 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 14.798 48.027 23.586 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 12.117 48.114 23.972 0.00 0.00 0.138 A ATOM 30 F UNL d 1 12.003 48.561 22.713 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 10.964 47.962 24.735 0.00 0.00 0.046 A ATOM 32 C UNL d 1 11.054 47.485 26.044 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8