REMARK VINA RESULT: -5.6 4.848 9.171 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 1.765 5.819 2.942 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 1.121 6.675 5.052 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 4.042 2.760 4.713 0.00 0.00 0.103 C ATOM 4 C UNL d 1 2.517 4.703 4.931 0.00 0.00 0.042 C ATOM 5 C UNL d 1 3.232 3.597 5.493 0.00 0.00 0.057 C ATOM 6 C UNL d 1 4.190 3.114 3.366 0.00 0.00 0.103 C ATOM 7 C UNL d 1 2.504 4.884 3.550 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.367 4.110 2.801 0.00 0.00 0.072 C ATOM 9 C UNL d 1 1.870 5.727 5.646 0.00 0.00 0.142 C ATOM 10 C UNL d 1 1.067 6.651 3.725 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 4.723 1.680 5.253 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 5.660 2.006 6.297 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 7.053 2.462 5.818 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 7.633 2.079 4.439 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 8.830 2.776 3.918 0.00 0.00 0.092 N ATOM 16 C UNL d 1 8.559 4.167 3.496 0.00 0.00 0.298 C ATOM 17 C UNL d 1 7.581 4.266 2.315 0.00 0.00 0.198 C ATOM 18 O UNL d 1 8.065 3.553 1.169 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 8.378 2.189 1.482 0.00 0.00 0.198 C ATOM 20 C UNL d 1 9.338 2.088 2.686 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 5.074 2.612 2.448 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.962 1.238 2.121 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 2.154 5.876 7.018 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 2.938 5.325 7.321 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 1.286 6.343 8.015 0.00 0.00 0.035 A ATOM 26 C UNL d 1 1.195 7.707 8.341 0.00 0.00 0.056 A ATOM 27 C UNL d 1 0.341 8.147 9.354 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 0.245 9.829 9.709 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.412 7.225 10.065 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -1.249 7.623 11.034 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.307 5.865 9.788 0.00 0.00 0.046 A ATOM 32 C UNL d 1 0.546 5.426 8.774 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8