REMARK VINA RESULT: -6.0 2.100 3.083 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 9.604 2.752 -8.546 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 11.028 1.541 -7.095 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 12.691 3.318 -11.345 0.00 0.00 0.103 C ATOM 4 C UNL d 1 11.876 2.350 -9.212 0.00 0.00 0.042 C ATOM 5 C UNL d 1 12.875 2.490 -10.228 0.00 0.00 0.057 C ATOM 6 C UNL d 1 11.512 4.075 -11.372 0.00 0.00 0.103 C ATOM 7 C UNL d 1 10.625 2.937 -9.391 0.00 0.00 0.075 C ATOM 8 C UNL d 1 10.482 3.813 -10.447 0.00 0.00 0.072 C ATOM 9 C UNL d 1 12.045 1.737 -7.958 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.841 2.021 -7.450 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 13.651 3.444 -12.337 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 14.451 4.639 -12.268 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 14.875 5.232 -13.626 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 13.860 5.723 -14.681 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 13.979 7.085 -15.249 0.00 0.00 0.092 N ATOM 16 C UNL d 1 13.687 8.154 -14.269 0.00 0.00 0.298 C ATOM 17 C UNL d 1 12.238 8.136 -13.760 0.00 0.00 0.198 C ATOM 18 O UNL d 1 11.300 8.268 -14.837 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 11.514 7.282 -15.856 0.00 0.00 0.198 C ATOM 20 C UNL d 1 12.976 7.280 -16.347 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 11.183 5.104 -12.214 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 10.523 4.770 -13.423 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 13.352 1.473 -7.505 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 13.953 2.279 -7.543 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 13.977 0.222 -7.406 0.00 0.00 0.035 A ATOM 26 C UNL d 1 13.488 -0.908 -8.083 0.00 0.00 0.056 A ATOM 27 C UNL d 1 14.113 -2.149 -7.952 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 13.492 -3.505 -8.812 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 15.220 -2.276 -7.126 0.00 0.00 0.138 A ATOM 30 F UNL d 1 15.846 -3.454 -6.992 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 15.698 -1.180 -6.414 0.00 0.00 0.046 A ATOM 32 C UNL d 1 15.073 0.062 -6.546 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8