REMARK VINA RESULT: -7.2 2.397 4.424 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 0.531 1.641 5.785 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.853 1.739 3.868 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -0.398 -2.409 6.430 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -0.611 -0.347 5.070 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -0.833 -1.746 5.274 0.00 0.00 0.057 C ATOM 6 C UNL d 1 0.189 -1.612 7.422 0.00 0.00 0.103 C ATOM 7 C UNL d 1 0.180 0.363 5.971 0.00 0.00 0.075 C ATOM 8 C UNL d 1 0.532 -0.273 7.142 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -1.195 0.452 4.070 0.00 0.00 0.142 C ATOM 10 C UNL d 1 0.030 2.263 4.711 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -0.599 -3.767 6.623 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -1.765 -4.110 7.397 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.114 -3.946 6.670 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -3.380 -4.512 5.258 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -3.632 -3.593 4.125 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -4.980 -3.749 3.536 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -5.210 -5.127 2.898 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -4.252 -5.397 1.866 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -2.905 -5.252 2.335 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.680 -3.878 3.001 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 0.500 -1.952 8.712 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 1.770 -2.539 8.942 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -2.305 -0.052 3.365 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -2.084 -0.323 2.422 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -3.660 0.149 3.664 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.459 1.040 2.926 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -5.800 1.242 3.256 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -6.749 2.328 2.315 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.349 0.573 4.340 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -7.637 0.740 4.670 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -5.566 -0.282 5.110 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -4.225 -0.486 4.779 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8