REMARK VINA RESULT: -7.0 3.445 6.312 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 0.949 -1.577 6.979 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 1.144 0.384 5.668 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.573 -2.732 4.994 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -0.676 -1.158 5.261 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -1.827 -1.630 4.552 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -2.188 -3.297 6.217 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -0.187 -1.886 6.343 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -0.971 -2.917 6.819 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -0.001 0.056 5.038 0.00 0.00 0.142 C ATOM 10 C UNL d 1 1.591 -0.471 6.581 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.679 -3.200 4.302 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.951 -2.915 4.915 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -6.018 -2.312 3.979 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -6.908 -1.117 4.383 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -6.293 0.132 4.885 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -7.149 0.858 5.848 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -8.463 1.364 5.233 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -8.223 2.238 4.122 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -7.379 1.629 3.136 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -6.072 1.095 3.757 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 -2.856 -4.222 6.974 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -2.316 -4.535 8.246 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -0.632 1.047 4.262 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.948 1.832 4.804 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -1.195 0.892 2.986 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -0.444 0.424 1.895 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -1.020 0.299 0.629 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -0.070 -0.296 -0.678 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -2.345 0.662 0.439 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -2.925 0.540 -0.764 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -3.096 1.167 1.496 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -2.521 1.290 2.762 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8