REMARK VINA RESULT: -6.3 2.534 3.238 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 -6.513 14.462 -14.960 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -5.346 12.970 -16.378 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -3.047 16.736 -14.253 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -4.184 14.852 -15.396 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.048 15.701 -15.199 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.186 16.842 -13.443 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -5.378 15.135 -14.737 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.344 16.099 -13.751 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -4.213 13.660 -16.142 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -6.455 13.430 -15.810 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.954 17.568 -14.071 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.987 17.553 -15.138 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.470 17.292 -14.708 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 1.651 17.292 -15.703 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 2.134 16.018 -16.282 0.00 0.00 0.092 N ATOM 16 C UNL d 1 2.267 14.936 -15.283 0.00 0.00 0.298 C ATOM 17 C UNL d 1 3.322 15.227 -14.205 0.00 0.00 0.198 C ATOM 18 O UNL d 1 4.617 15.446 -14.781 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 4.590 16.471 -15.784 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.511 16.193 -16.851 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 -4.360 17.604 -12.319 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.139 16.978 -11.067 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -2.991 13.064 -16.511 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -2.863 13.010 -17.507 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.185 12.229 -15.724 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -2.451 10.856 -15.584 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -1.648 10.048 -14.777 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -1.998 8.367 -14.647 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.586 10.611 -14.085 0.00 0.00 0.138 A ATOM 30 F UNL d 1 0.208 9.854 -13.313 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.328 11.975 -14.175 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -1.130 12.782 -14.984 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8