REMARK VINA RESULT: -7.7 4.039 8.087 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 -20.075 20.555 -28.907 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -18.300 21.188 -30.338 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -17.540 20.481 -25.553 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -17.892 20.907 -27.970 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -17.082 20.954 -26.790 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -18.803 19.874 -25.546 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -19.224 20.511 -27.875 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -19.640 19.971 -26.676 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -17.458 21.139 -29.288 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -19.581 20.936 -30.091 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -16.763 20.539 -24.406 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -15.897 21.685 -24.310 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -14.513 21.419 -23.685 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -13.210 21.393 -24.512 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -12.845 20.184 -25.286 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -11.419 20.149 -25.675 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -11.020 21.283 -26.631 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -11.798 21.256 -27.835 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -13.206 21.267 -27.562 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -13.603 20.145 -26.579 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 -19.391 19.147 -24.545 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -20.807 19.135 -24.495 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -16.075 21.146 -29.552 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -15.579 21.857 -29.043 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -15.423 20.595 -30.665 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -15.814 19.365 -31.221 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -15.136 18.825 -32.315 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -15.659 17.324 -32.978 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -14.047 19.498 -32.848 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -13.386 19.006 -33.906 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -13.616 20.697 -32.288 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -14.295 21.238 -31.195 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8