REMARK VINA RESULT: -8.8 4.333 9.499 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 4.724 -8.446 3.198 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 5.067 -6.111 3.026 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 1.553 -7.929 5.911 0.00 0.00 0.103 C ATOM 4 C UNL d 1 3.281 -6.963 4.418 0.00 0.00 0.042 C ATOM 5 C UNL d 1 2.143 -6.827 5.275 0.00 0.00 0.057 C ATOM 6 C UNL d 1 2.191 -9.164 5.738 0.00 0.00 0.103 C ATOM 7 C UNL d 1 3.744 -8.234 4.085 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.214 -9.303 4.777 0.00 0.00 0.072 C ATOM 9 C UNL d 1 4.078 -5.917 3.920 0.00 0.00 0.142 C ATOM 10 C UNL d 1 5.316 -7.367 2.672 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 0.442 -7.801 6.730 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.363 -6.630 6.493 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -1.855 -6.767 6.857 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.622 -5.700 7.667 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -3.673 -4.886 7.015 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -3.172 -4.096 5.869 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -2.135 -3.035 6.267 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -2.666 -2.114 7.229 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -3.198 -2.788 8.377 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -4.219 -3.873 7.976 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 1.963 -10.339 6.404 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 3.068 -10.941 7.057 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 3.961 -4.641 4.504 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 4.120 -4.645 5.497 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 3.293 -3.526 3.976 0.00 0.00 0.035 A ATOM 26 C UNL d 1 2.269 -2.871 4.680 0.00 0.00 0.056 A ATOM 27 C UNL d 1 1.603 -1.777 4.124 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 0.366 -0.991 5.028 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 1.940 -1.344 2.851 0.00 0.00 0.138 A ATOM 30 F UNL d 1 1.323 -0.288 2.300 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 2.922 -2.003 2.118 0.00 0.00 0.046 A ATOM 32 C UNL d 1 3.589 -3.096 2.675 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8