REMARK VINA RESULT: -7.9 4.146 7.838 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 -5.349 -2.833 6.864 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -7.617 -3.162 7.452 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -6.384 -1.539 3.000 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -7.056 -2.302 5.261 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -7.370 -1.775 3.967 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.080 -1.931 3.330 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -5.724 -2.460 5.634 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.767 -2.306 4.653 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.976 -2.784 6.209 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -6.321 -3.127 7.737 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -6.683 -1.014 1.752 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -7.325 -1.928 0.841 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -6.387 -2.636 -0.157 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -5.195 -1.927 -0.836 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -4.448 -2.602 -1.921 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -3.580 -3.698 -1.437 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -2.451 -3.217 -0.512 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -1.612 -2.254 -1.162 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -2.368 -1.154 -1.687 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -3.519 -1.637 -2.593 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 -3.985 -2.016 2.511 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -2.710 -2.030 3.129 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -9.296 -3.051 5.795 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -9.916 -2.270 5.926 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -9.891 -4.309 5.624 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -9.374 -5.464 6.234 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -9.970 -6.711 6.031 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -9.315 -8.099 6.811 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -11.074 -6.815 5.198 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -11.672 -7.999 4.996 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -11.579 -5.691 4.551 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -10.984 -4.445 4.756 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8