REMARK VINA RESULT: -4.0 2.375 3.913 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 -3.248 -17.221 2.474 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.299 -15.227 3.195 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -0.046 -16.672 5.143 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -2.228 -15.934 4.227 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -1.165 -15.829 5.180 0.00 0.00 0.057 C ATOM 6 C UNL d 1 0.026 -17.567 4.068 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.233 -16.987 3.314 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -1.093 -17.758 3.231 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.269 -15.007 4.035 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -4.263 -16.348 2.483 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 0.977 -16.582 6.074 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.605 -16.904 7.427 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.362 -18.400 7.710 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -0.955 -18.937 8.310 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -1.969 -19.566 7.434 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -2.848 -18.586 6.761 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -3.716 -17.775 7.737 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -4.548 -18.627 8.535 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -3.785 -19.632 9.217 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.893 -20.428 8.242 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 1.087 -18.337 3.673 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.844 -19.322 2.682 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -3.147 -13.726 4.605 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -2.325 -13.234 4.300 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -3.767 -13.257 5.773 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.900 -13.885 6.315 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -5.515 -13.386 7.466 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -6.892 -14.196 8.109 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.014 -12.243 8.070 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.578 -11.751 9.183 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -3.917 -11.581 7.527 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -3.302 -12.080 6.378 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8