REMARK VINA RESULT: 4.1 4.476 8.581 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 21.904 2.965 -11.689 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 22.145 5.103 -10.704 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 20.435 4.615 -15.267 0.00 0.00 0.103 C ATOM 4 C UNL d 1 21.352 4.912 -12.982 0.00 0.00 0.042 C ATOM 5 C UNL d 1 20.930 5.438 -14.245 0.00 0.00 0.057 C ATOM 6 C UNL d 1 20.287 3.256 -14.957 0.00 0.00 0.103 C ATOM 7 C UNL d 1 21.409 3.532 -12.795 0.00 0.00 0.075 C ATOM 8 C UNL d 1 20.843 2.737 -13.770 0.00 0.00 0.072 C ATOM 9 C UNL d 1 21.644 5.657 -11.826 0.00 0.00 0.142 C ATOM 10 C UNL d 1 22.293 3.783 -10.703 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 20.040 5.120 -16.496 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 19.631 4.132 -17.462 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 20.670 3.805 -18.554 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 21.713 4.828 -19.053 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 21.498 5.547 -20.329 0.00 0.00 0.092 N ATOM 16 C UNL d 1 22.192 6.851 -20.388 0.00 0.00 0.298 C ATOM 17 C UNL d 1 21.679 7.862 -19.352 0.00 0.00 0.198 C ATOM 18 O UNL d 1 20.276 8.111 -19.508 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 19.512 6.898 -19.484 0.00 0.00 0.198 C ATOM 20 C UNL d 1 20.044 5.871 -20.505 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 19.638 2.287 -15.674 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 18.226 2.235 -15.570 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 21.238 7.004 -11.770 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 20.872 7.343 -12.643 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 21.636 7.970 -10.834 0.00 0.00 0.035 A ATOM 26 C UNL d 1 20.759 8.454 -9.848 0.00 0.00 0.056 A ATOM 27 C UNL d 1 21.171 9.433 -8.941 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 20.071 9.986 -7.737 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 22.454 9.951 -9.026 0.00 0.00 0.138 A ATOM 30 F UNL d 1 22.877 10.883 -8.159 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 23.326 9.516 -10.019 0.00 0.00 0.046 A ATOM 32 C UNL d 1 22.915 8.536 -10.925 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8