REMARK VINA RESULT: -8.3 1.509 1.828 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 -6.918 -2.256 5.178 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -8.058 -1.994 3.121 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.692 -5.503 3.700 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.360 -3.703 3.345 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.522 -4.755 2.853 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.791 -5.230 5.071 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.258 -3.306 4.676 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.504 -4.098 5.517 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.384 -3.053 2.632 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -7.762 -1.616 4.360 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.869 -6.512 3.225 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.213 -7.022 1.923 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.191 -6.732 0.806 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.302 -5.470 0.789 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.837 -5.590 0.966 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -0.438 -5.858 2.364 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -0.792 -4.716 3.329 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.178 -3.482 2.933 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -0.490 -3.142 1.575 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -0.161 -4.299 0.609 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 -4.270 -5.941 6.119 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.557 -5.477 7.427 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -7.848 -3.633 1.436 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -8.373 -4.478 1.584 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -7.352 -3.416 0.142 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -7.514 -2.187 -0.519 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -7.032 -2.001 -1.816 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -7.236 -0.474 -2.584 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.403 -3.050 -2.471 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.920 -2.893 -3.712 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -6.267 -4.288 -1.851 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -6.748 -4.473 -0.554 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8