REMARK VINA RESULT: -7.0 3.128 6.249 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 -5.903 -1.243 3.478 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.882 0.187 1.893 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.220 -3.012 4.472 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.521 -1.337 3.188 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.278 -1.903 3.616 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -3.445 -3.598 4.818 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -4.714 -1.801 3.737 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.655 -2.941 4.511 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.694 -0.385 2.167 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.928 -0.238 2.594 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.018 -3.553 4.900 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.271 -4.262 3.892 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -0.708 -5.720 3.647 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -1.647 -6.132 2.493 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -1.955 -5.173 1.407 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -3.381 -4.786 1.358 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -4.321 -5.958 1.037 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -3.994 -6.566 -0.219 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -2.616 -6.962 -0.279 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -1.673 -5.792 0.071 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 -3.668 -4.793 5.448 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.548 -5.708 4.816 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -2.628 -0.147 1.278 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -2.384 0.826 1.206 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.178 -0.989 0.250 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.069 -1.711 -0.561 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -2.598 -2.561 -1.564 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -3.724 -3.415 -2.548 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -1.232 -2.714 -1.748 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -0.754 -3.515 -2.711 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.331 -2.040 -0.929 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -0.802 -1.189 0.072 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8