REMARK VINA RESULT: -6.3 2.043 3.841 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 9.779 3.128 -9.121 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 10.799 1.840 -7.418 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 13.324 3.220 -11.380 0.00 0.00 0.103 C ATOM 4 C UNL d 1 12.068 2.450 -9.386 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.228 2.431 -10.225 0.00 0.00 0.057 C ATOM 6 C UNL d 1 12.261 4.099 -11.626 0.00 0.00 0.103 C ATOM 7 C UNL d 1 10.939 3.160 -9.789 0.00 0.00 0.075 C ATOM 8 C UNL d 1 11.071 3.996 -10.878 0.00 0.00 0.072 C ATOM 9 C UNL d 1 11.958 1.883 -8.104 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.749 2.429 -7.980 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 14.441 3.193 -12.201 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 15.687 3.511 -11.553 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 15.911 5.004 -11.243 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 15.967 5.564 -9.805 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 14.866 6.411 -9.294 0.00 0.00 0.092 N ATOM 16 C UNL d 1 15.317 7.424 -8.315 0.00 0.00 0.298 C ATOM 17 C UNL d 1 15.887 6.815 -7.025 0.00 0.00 0.198 C ATOM 18 O UNL d 1 14.928 5.975 -6.370 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 14.413 4.965 -7.248 0.00 0.00 0.198 C ATOM 20 C UNL d 1 13.865 5.574 -8.555 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 12.194 5.117 -12.540 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 12.504 6.423 -12.084 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 13.135 1.500 -7.432 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 13.712 2.281 -7.169 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 13.749 0.239 -7.451 0.00 0.00 0.035 A ATOM 26 C UNL d 1 13.224 -0.831 -8.196 0.00 0.00 0.056 A ATOM 27 C UNL d 1 13.839 -2.084 -8.182 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 13.174 -3.364 -9.123 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 14.971 -2.284 -7.406 0.00 0.00 0.138 A ATOM 30 F UNL d 1 15.588 -3.475 -7.385 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 15.485 -1.251 -6.628 0.00 0.00 0.046 A ATOM 32 C UNL d 1 14.870 0.003 -6.643 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8