REMARK VINA RESULT: -5.9 2.373 4.367 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 9.814 -14.007 3.111 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 9.108 -16.135 2.356 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 10.515 -15.455 6.996 0.00 0.00 0.103 C ATOM 4 C UNL d 1 9.851 -15.858 4.641 0.00 0.00 0.042 C ATOM 5 C UNL d 1 10.184 -16.330 5.951 0.00 0.00 0.057 C ATOM 6 C UNL d 1 10.416 -14.085 6.719 0.00 0.00 0.103 C ATOM 7 C UNL d 1 9.990 -14.504 4.342 0.00 0.00 0.075 C ATOM 8 C UNL d 1 10.234 -13.644 5.392 0.00 0.00 0.072 C ATOM 9 C UNL d 1 9.291 -16.619 3.600 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.420 -14.859 2.157 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 10.852 -15.911 8.261 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 11.593 -17.146 8.291 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 10.959 -18.278 9.125 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 9.990 -19.320 8.526 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 8.771 -18.876 7.813 0.00 0.00 0.092 N ATOM 16 C UNL d 1 7.877 -18.044 8.648 0.00 0.00 0.298 C ATOM 17 C UNL d 1 7.297 -18.796 9.855 0.00 0.00 0.198 C ATOM 18 O UNL d 1 6.555 -19.954 9.448 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 7.334 -20.821 8.612 0.00 0.00 0.198 C ATOM 20 C UNL d 1 7.941 -20.060 7.414 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 10.469 -13.035 7.595 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 11.307 -11.944 7.255 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 8.736 -17.876 3.905 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 9.329 -18.644 3.642 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 7.384 -18.172 4.134 0.00 0.00 0.035 A ATOM 26 C UNL d 1 6.621 -17.469 5.082 0.00 0.00 0.056 A ATOM 27 C UNL d 1 5.282 -17.796 5.310 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 4.377 -16.898 6.467 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.703 -18.843 4.609 0.00 0.00 0.138 A ATOM 30 F UNL d 1 3.417 -19.169 4.801 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 5.451 -19.579 3.696 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.789 -19.251 3.467 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8