REMARK VINA RESULT: -9.2 0.000 0.000 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 -5.214 -2.946 6.932 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.543 -2.158 4.804 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -9.274 -2.890 5.836 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.887 -2.562 5.251 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -8.270 -2.639 4.890 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -8.864 -2.972 7.174 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.496 -2.879 6.550 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -7.492 -3.042 7.490 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.838 -2.097 4.437 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -4.287 -2.622 6.022 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -10.612 -2.980 5.486 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -11.012 -4.239 4.913 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -11.087 -5.422 5.898 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -10.011 -6.527 5.966 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -10.109 -7.715 5.088 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -11.401 -8.424 5.208 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -11.639 -9.026 6.601 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -10.603 -9.950 6.960 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -9.301 -9.359 6.856 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -9.071 -8.730 5.466 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 -9.642 -2.992 8.300 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -9.582 -4.152 9.112 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -6.158 -1.379 3.269 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -6.499 -0.452 3.455 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -6.428 -1.908 1.998 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -5.616 -2.896 1.417 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -5.891 -3.392 0.141 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -4.881 -4.615 -0.528 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.967 -2.887 -0.574 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -7.260 -3.355 -1.796 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -7.761 -1.879 -0.035 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -7.487 -1.385 1.242 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8