REMARK VINA RESULT: -6.3 2.044 2.446 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 10.202 3.453 -8.374 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 11.135 1.539 -7.342 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 13.859 4.428 -10.207 0.00 0.00 0.103 C ATOM 4 C UNL d 1 12.502 2.906 -8.797 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.704 3.223 -9.507 0.00 0.00 0.057 C ATOM 6 C UNL d 1 12.810 5.351 -10.102 0.00 0.00 0.103 C ATOM 7 C UNL d 1 11.395 3.743 -8.909 0.00 0.00 0.075 C ATOM 8 C UNL d 1 11.582 4.962 -9.527 0.00 0.00 0.072 C ATOM 9 C UNL d 1 12.328 1.846 -7.888 0.00 0.00 0.142 C ATOM 10 C UNL d 1 10.115 2.334 -7.646 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 15.017 4.732 -10.907 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 14.999 4.379 -12.303 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 14.648 5.526 -13.272 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 13.471 5.452 -14.268 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 12.096 5.767 -13.817 0.00 0.00 0.092 N ATOM 16 C UNL d 1 11.065 4.916 -14.452 0.00 0.00 0.298 C ATOM 17 C UNL d 1 10.965 5.113 -15.973 0.00 0.00 0.198 C ATOM 18 O UNL d 1 10.671 6.475 -16.310 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 11.609 7.386 -15.721 0.00 0.00 0.198 C ATOM 20 C UNL d 1 11.731 7.170 -14.198 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 12.789 6.662 -10.494 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 11.547 7.343 -10.424 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 13.468 1.188 -7.391 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 13.971 1.729 -6.708 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 14.162 0.126 -7.990 0.00 0.00 0.035 A ATOM 26 C UNL d 1 13.515 -1.061 -8.374 0.00 0.00 0.056 A ATOM 27 C UNL d 1 14.230 -2.113 -8.949 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 13.397 -3.544 -9.421 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 15.601 -1.997 -9.123 0.00 0.00 0.138 A ATOM 30 F UNL d 1 16.308 -2.989 -9.683 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 16.269 -0.847 -8.713 0.00 0.00 0.046 A ATOM 32 C UNL d 1 15.554 0.206 -8.140 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8