REMARK VINA RESULT: -4.3 4.271 5.652 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 22.525 -30.681 -1.047 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 22.269 -30.368 1.285 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 18.431 -31.512 -1.533 0.00 0.00 0.103 C ATOM 4 C UNL d 1 20.335 -30.874 -0.078 0.00 0.00 0.042 C ATOM 5 C UNL d 1 18.935 -31.077 -0.299 0.00 0.00 0.057 C ATOM 6 C UNL d 1 19.377 -31.827 -2.517 0.00 0.00 0.103 C ATOM 7 C UNL d 1 21.222 -30.973 -1.148 0.00 0.00 0.075 C ATOM 8 C UNL d 1 20.732 -31.480 -2.333 0.00 0.00 0.072 C ATOM 9 C UNL d 1 20.960 -30.664 1.164 0.00 0.00 0.142 C ATOM 10 C UNL d 1 22.984 -30.347 0.166 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 17.075 -31.695 -1.753 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 16.274 -30.501 -1.672 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 16.211 -29.657 -2.961 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 15.581 -30.174 -4.272 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 14.642 -29.319 -5.034 0.00 0.00 0.092 N ATOM 16 C UNL d 1 13.287 -29.271 -4.443 0.00 0.00 0.298 C ATOM 17 C UNL d 1 12.571 -30.630 -4.449 0.00 0.00 0.198 C ATOM 18 O UNL d 1 12.446 -31.154 -5.778 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 13.713 -31.222 -6.447 0.00 0.00 0.198 C ATOM 20 C UNL d 1 14.445 -29.864 -6.417 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 19.180 -32.466 -3.712 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 18.782 -31.672 -4.817 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 20.238 -30.944 2.340 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 19.918 -30.117 2.814 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 20.266 -32.131 3.088 0.00 0.00 0.035 A ATOM 26 C UNL d 1 20.662 -33.355 2.523 0.00 0.00 0.056 A ATOM 27 C UNL d 1 20.660 -34.528 3.281 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 21.169 -36.004 2.556 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 20.241 -34.490 4.602 0.00 0.00 0.138 A ATOM 30 F UNL d 1 20.241 -35.600 5.355 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 19.805 -33.297 5.170 0.00 0.00 0.046 A ATOM 32 C UNL d 1 19.809 -32.124 4.413 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8