REMARK VINA RESULT: -8.0 3.091 5.932 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 -1.891 -5.131 6.024 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.239 -4.977 6.270 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.228 -5.975 1.918 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.286 -5.414 4.089 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.354 -5.618 2.674 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -1.046 -6.213 2.633 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.048 -5.431 4.729 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -0.963 -5.863 3.997 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -4.379 -5.280 4.964 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -2.998 -4.873 6.731 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -2.288 -6.159 0.546 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -2.955 -7.361 0.117 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -4.302 -7.151 -0.603 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -5.062 -5.807 -0.584 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -4.637 -4.700 -1.470 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -4.114 -3.530 -0.732 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -5.166 -2.851 0.158 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -6.298 -2.412 -0.604 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -6.869 -3.478 -1.376 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -5.807 -4.178 -2.250 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 0.120 -6.773 2.185 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.206 -8.188 2.189 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.659 -5.647 4.507 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -5.819 -6.639 4.533 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -6.517 -4.890 3.696 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -6.675 -3.505 3.872 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -7.553 -2.775 3.067 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -7.703 -1.076 3.303 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -8.296 -3.428 2.096 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -9.137 -2.748 1.302 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -8.187 -4.806 1.931 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -7.308 -5.535 2.735 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8