REMARK VINA RESULT: -7.8 2.077 3.672 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 -7.004 -2.304 5.011 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -8.115 -2.281 2.922 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.143 -5.057 3.626 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.121 -3.622 3.208 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.080 -4.491 2.750 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.332 -4.802 4.991 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.136 -3.206 4.538 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.266 -3.830 5.406 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.232 -3.189 2.462 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -7.934 -1.846 4.164 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.125 -5.886 3.183 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -1.895 -5.219 2.842 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -0.989 -5.969 1.845 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -1.533 -6.674 0.583 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -1.618 -8.151 0.536 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -1.913 -8.675 -0.815 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -3.291 -8.250 -1.346 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -4.346 -8.677 -0.475 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -4.140 -8.233 0.873 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.746 -8.635 1.397 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 -3.711 -5.392 6.060 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.317 -5.237 7.332 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -7.540 -3.855 1.260 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -7.854 -4.800 1.400 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -7.099 -3.521 -0.029 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -7.319 -2.248 -0.583 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -6.892 -1.945 -1.877 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -7.165 -0.368 -2.511 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.260 -2.918 -2.636 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.829 -2.649 -3.877 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -6.068 -4.198 -2.124 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -6.494 -4.500 -0.829 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8