REMARK VINA RESULT: -7.0 3.486 5.991 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 -5.923 -1.298 10.003 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.849 -3.397 9.802 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.567 0.729 8.483 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.706 -1.390 9.083 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.618 -0.672 8.490 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -3.592 1.395 9.168 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -4.819 -0.693 9.547 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -4.725 0.682 9.612 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.747 -2.771 9.345 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.904 -2.635 10.069 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.522 1.427 7.897 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.269 0.718 7.837 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.644 0.881 9.068 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 2.166 1.116 8.959 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 3.061 0.718 10.068 0.00 0.00 0.092 N ATOM 16 C UNL d 1 2.650 1.270 11.377 0.00 0.00 0.298 C ATOM 17 C UNL d 1 2.715 2.804 11.439 0.00 0.00 0.198 C ATOM 18 O UNL d 1 4.035 3.288 11.160 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 4.535 2.788 9.912 0.00 0.00 0.198 C ATOM 20 C UNL d 1 4.444 1.250 9.838 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 -3.671 2.721 9.499 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.622 3.510 8.804 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -2.546 -3.504 9.297 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -2.689 -4.487 9.139 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -1.300 -3.122 9.816 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -0.169 -2.973 8.997 0.00 0.00 0.056 A ATOM 27 C UNL d 1 1.067 -2.614 9.539 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 2.425 -2.424 8.498 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 1.186 -2.423 10.907 0.00 0.00 0.138 A ATOM 30 F UNL d 1 2.359 -2.066 11.451 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 0.089 -2.606 11.743 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -1.147 -2.963 11.201 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8