REMARK VINA RESULT: 3.5 0.000 0.000 REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_6 and C_13 REMARK 2 A between atoms: N_8 and N_10 REMARK 3 A between atoms: C_13 and C_15 ROOT ATOM 1 O UNL d 1 23.687 5.613 -10.276 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 22.058 6.999 -11.294 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 23.774 7.928 -10.167 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 21.990 9.327 -10.591 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 22.331 5.718 -10.672 0.00 0.00 0.314 C ATOM 6 C UNL d 1 22.526 8.152 -10.701 0.00 0.00 0.725 C ATOM 7 C UNL d 1 24.011 6.709 -9.444 0.00 0.00 0.313 C ATOM 8 C UNL d 1 24.876 8.856 -10.313 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 21.775 6.970 -12.738 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 20.945 5.821 -13.241 0.00 0.00 0.021 A ATOM 11 S UNL d 1 21.022 5.341 -14.897 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 19.904 4.105 -14.569 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 19.423 3.028 -15.816 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 19.443 4.018 -13.348 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 20.038 5.007 -12.585 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 20.697 9.482 -10.913 0.00 0.00 0.001 N ATOM 17 O UNL d 1 20.357 10.139 -11.913 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 19.863 8.885 -10.212 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3