REMARK VINA RESULT: -8.0 4.292 7.760 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 -4.358 -2.585 6.049 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -6.475 -2.856 7.072 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -6.103 -1.391 2.414 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.336 -2.073 4.786 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -6.888 -1.580 3.560 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.764 -1.796 2.500 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -4.958 -2.243 4.902 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.208 -2.136 3.750 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.062 -2.510 5.909 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.147 -2.835 7.101 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -6.632 -0.900 1.230 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -7.710 -1.675 0.673 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -7.373 -2.447 -0.619 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -6.070 -3.256 -0.796 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -5.364 -3.251 -2.097 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -5.332 -4.579 -2.748 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -4.543 -5.629 -1.951 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -3.187 -5.219 -1.736 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -3.110 -3.925 -1.123 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -3.925 -2.875 -1.908 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 -3.849 -1.926 1.490 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -2.482 -1.762 1.825 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -8.439 -2.766 5.766 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -8.934 -2.021 5.305 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -9.212 -3.677 6.501 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -9.357 -5.017 6.103 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -10.149 -5.901 6.838 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -10.286 -7.540 6.326 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -10.822 -5.448 7.962 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -11.579 -6.280 8.692 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -10.726 -4.115 8.351 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -9.932 -3.231 7.618 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8