REMARK VINA RESULT: -6.0 4.749 8.630 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 30.132 3.132 -43.371 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 31.520 4.099 -41.717 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 32.535 -0.311 -43.587 0.00 0.00 0.103 C ATOM 4 C UNL d 1 32.026 1.892 -42.570 0.00 0.00 0.042 C ATOM 5 C UNL d 1 32.768 0.669 -42.611 0.00 0.00 0.057 C ATOM 6 C UNL d 1 31.598 0.006 -44.579 0.00 0.00 0.103 C ATOM 7 C UNL d 1 30.945 2.071 -43.431 0.00 0.00 0.075 C ATOM 8 C UNL d 1 30.776 1.143 -44.437 0.00 0.00 0.072 C ATOM 9 C UNL d 1 32.328 3.023 -41.790 0.00 0.00 0.142 C ATOM 10 C UNL d 1 30.433 4.085 -42.481 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 33.243 -1.503 -43.620 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 34.399 -1.553 -42.763 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 35.761 -1.555 -43.487 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 35.905 -1.295 -45.002 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 36.076 0.086 -45.507 0.00 0.00 0.092 N ATOM 16 C UNL d 1 34.883 0.602 -46.211 0.00 0.00 0.298 C ATOM 17 C UNL d 1 34.547 -0.176 -47.492 0.00 0.00 0.198 C ATOM 18 O UNL d 1 35.638 -0.158 -48.421 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 36.856 -0.626 -47.824 0.00 0.00 0.198 C ATOM 20 C UNL d 1 37.179 0.136 -46.522 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 31.339 -0.659 -45.747 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 30.219 -1.528 -45.768 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 33.602 3.115 -41.198 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 34.241 3.686 -41.724 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 34.163 2.240 -40.257 0.00 0.00 0.035 A ATOM 26 C UNL d 1 35.078 1.240 -40.626 0.00 0.00 0.056 A ATOM 27 C UNL d 1 35.607 0.365 -39.675 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 36.739 -0.836 -40.166 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 35.207 0.468 -38.351 0.00 0.00 0.138 A ATOM 30 F UNL d 1 35.709 -0.353 -37.416 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 34.271 1.424 -37.969 0.00 0.00 0.046 A ATOM 32 C UNL d 1 33.744 2.300 -38.920 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8