REMARK VINA RESULT: -5.8 3.246 5.661 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 -3.753 14.536 -19.809 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -1.998 16.109 -19.595 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.820 14.954 -15.763 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.405 15.612 -17.690 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.854 15.790 -16.343 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.260 13.876 -16.542 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -4.034 14.676 -18.508 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.921 13.806 -17.909 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -2.296 16.238 -18.287 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -2.770 15.295 -20.308 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -5.267 15.133 -14.463 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.747 14.195 -13.502 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.251 14.353 -13.163 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.232 13.203 -13.311 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -1.694 12.854 -14.645 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -2.541 11.891 -15.382 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -2.639 10.519 -14.698 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -1.348 9.919 -14.530 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -0.441 10.789 -13.839 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -0.362 12.177 -14.509 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 -6.018 12.802 -16.156 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -7.426 12.928 -16.260 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.356 16.881 -17.459 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -1.350 17.880 -17.571 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -0.231 16.306 -16.850 0.00 0.00 0.035 A ATOM 26 C UNL d 1 0.804 15.724 -17.601 0.00 0.00 0.056 A ATOM 27 C UNL d 1 1.904 15.137 -16.972 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 3.160 14.451 -17.929 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 1.966 15.107 -15.587 0.00 0.00 0.138 A ATOM 30 F UNL d 1 3.018 14.560 -14.959 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 0.933 15.640 -14.822 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -0.166 16.229 -15.451 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8