REMARK VINA RESULT: -7.2 2.173 4.002 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 -2.733 -3.745 3.794 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.743 -2.803 4.613 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -0.941 0.040 3.413 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -2.869 -1.365 4.088 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.194 -0.104 4.025 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -0.420 -1.098 2.783 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.216 -2.518 3.657 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -1.024 -2.356 2.984 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -4.207 -1.575 4.468 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -3.965 -3.836 4.310 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -0.279 1.257 3.364 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.386 2.062 4.554 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.640 1.748 5.661 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 0.497 0.546 6.620 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 1.439 -0.593 6.529 0.00 0.00 0.092 N ATOM 16 C UNL d 1 0.806 -1.836 6.039 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -0.277 -2.381 6.982 0.00 0.00 0.198 C ATOM 18 O UNL d 1 0.248 -2.648 8.289 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 0.905 -1.502 8.846 0.00 0.00 0.198 C ATOM 20 C UNL d 1 1.974 -0.937 7.887 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 0.657 -1.185 1.942 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.392 -1.270 0.552 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.073 -0.467 4.532 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -4.627 0.399 4.281 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -6.277 -0.373 5.246 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -6.627 -1.305 6.237 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -7.841 -1.206 6.919 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -8.224 -2.358 8.139 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -8.725 -0.186 6.599 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -9.892 -0.061 7.248 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -8.418 0.724 5.593 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -7.203 0.625 4.912 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8