REMARK VINA RESULT: 16.2 3.219 5.927 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 17.218 -5.328 -5.365 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 17.667 -4.122 -3.379 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 16.803 -8.940 -3.252 0.00 0.00 0.103 C ATOM 4 C UNL d 1 17.187 -6.490 -3.263 0.00 0.00 0.042 C ATOM 5 C UNL d 1 16.953 -7.722 -2.573 0.00 0.00 0.057 C ATOM 6 C UNL d 1 16.985 -8.906 -4.641 0.00 0.00 0.103 C ATOM 7 C UNL d 1 17.129 -6.459 -4.655 0.00 0.00 0.075 C ATOM 8 C UNL d 1 17.065 -7.669 -5.313 0.00 0.00 0.072 C ATOM 9 C UNL d 1 17.574 -5.270 -2.680 0.00 0.00 0.142 C ATOM 10 C UNL d 1 17.441 -4.196 -4.686 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 16.562 -10.132 -2.587 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 17.558 -10.503 -1.614 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 17.012 -11.110 -0.306 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 16.536 -10.248 0.884 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 17.504 -9.798 1.909 0.00 0.00 0.092 N ATOM 16 C UNL d 1 18.867 -10.332 1.700 0.00 0.00 0.298 C ATOM 17 C UNL d 1 18.947 -11.862 1.822 0.00 0.00 0.198 C ATOM 18 O UNL d 1 18.499 -12.312 3.107 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 17.185 -11.826 3.414 0.00 0.00 0.198 C ATOM 20 C UNL d 1 17.096 -10.293 3.264 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 17.109 -9.959 -5.507 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 18.293 -10.735 -5.423 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 18.052 -5.275 -1.356 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 17.337 -5.079 -0.677 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 19.382 -5.123 -0.936 0.00 0.00 0.035 A ATOM 26 C UNL d 1 19.724 -5.017 0.423 0.00 0.00 0.056 A ATOM 27 C UNL d 1 21.052 -4.843 0.816 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 21.431 -4.736 2.493 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 22.046 -4.750 -0.146 0.00 0.00 0.138 A ATOM 30 F UNL d 1 23.331 -4.595 0.207 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 21.726 -4.811 -1.499 0.00 0.00 0.046 A ATOM 32 C UNL d 1 20.398 -4.987 -1.892 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8