REMARK VINA RESULT: -4.5 1.575 2.038 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 22.227 -31.707 0.803 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 19.907 -31.244 0.789 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 22.054 -33.448 -3.021 0.00 0.00 0.103 C ATOM 4 C UNL d 1 20.937 -32.281 -1.140 0.00 0.00 0.042 C ATOM 5 C UNL d 1 20.936 -32.802 -2.473 0.00 0.00 0.057 C ATOM 6 C UNL d 1 23.146 -33.638 -2.165 0.00 0.00 0.103 C ATOM 7 C UNL d 1 22.118 -32.283 -0.401 0.00 0.00 0.075 C ATOM 8 C UNL d 1 23.185 -32.991 -0.913 0.00 0.00 0.072 C ATOM 9 C UNL d 1 19.815 -31.828 -0.422 0.00 0.00 0.142 C ATOM 10 C UNL d 1 21.119 -31.171 1.328 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 22.060 -33.940 -4.317 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 20.762 -34.230 -4.869 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 20.498 -33.660 -6.277 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 19.503 -32.510 -6.543 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 18.537 -32.106 -5.496 0.00 0.00 0.092 N ATOM 16 C UNL d 1 17.255 -31.612 -6.044 0.00 0.00 0.298 C ATOM 17 C UNL d 1 17.402 -30.324 -6.869 0.00 0.00 0.198 C ATOM 18 O UNL d 1 17.979 -29.265 -6.095 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 19.225 -29.655 -5.500 0.00 0.00 0.198 C ATOM 20 C UNL d 1 19.085 -30.963 -4.695 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 24.258 -34.412 -2.365 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 24.839 -35.025 -1.227 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 18.531 -32.149 -0.902 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 18.387 -33.138 -1.012 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 17.645 -31.302 -1.584 0.00 0.00 0.035 A ATOM 26 C UNL d 1 17.749 -29.903 -1.507 0.00 0.00 0.056 A ATOM 27 C UNL d 1 16.842 -29.078 -2.176 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 17.015 -27.368 -2.071 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 15.810 -29.646 -2.908 0.00 0.00 0.138 A ATOM 30 F UNL d 1 14.933 -28.877 -3.569 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 15.663 -31.029 -2.964 0.00 0.00 0.046 A ATOM 32 C UNL d 1 16.571 -31.853 -2.297 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8