REMARK VINA RESULT: -7.6 1.895 2.580 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 -11.995 21.787 -25.416 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -13.345 21.647 -23.478 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -15.363 21.936 -27.929 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -14.384 21.848 -25.653 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -15.503 21.988 -26.535 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -14.082 21.648 -28.417 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -13.095 21.797 -26.179 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -12.973 21.662 -27.546 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -14.441 21.659 -24.260 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -12.171 21.756 -24.090 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -16.443 22.086 -28.786 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -17.711 21.659 -28.254 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -18.477 20.631 -29.112 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -19.696 21.007 -29.981 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -19.534 21.218 -31.437 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -19.937 22.571 -31.880 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -21.431 22.860 -31.671 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -22.253 21.914 -32.367 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -21.924 20.562 -32.019 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -20.418 20.279 -32.202 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 -13.712 21.330 -29.697 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -12.326 21.348 -29.997 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -15.669 21.291 -23.678 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -15.628 21.227 -22.675 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -16.747 20.652 -24.308 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -18.047 21.183 -24.276 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -19.109 20.517 -24.891 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -20.684 21.212 -24.845 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -18.884 19.303 -25.523 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -19.885 18.650 -26.131 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -17.613 18.738 -25.531 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -16.551 19.405 -24.918 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8