REMARK VINA RESULT: -6.1 1.912 2.185 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 1 112.292 89.174 51.569 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 112.252 86.824 51.269 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 112.353 88.182 49.474 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 111.739 86.003 49.038 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 111.844 87.940 52.101 0.00 0.00 0.314 C ATOM 6 C UNL d 1 112.085 86.904 49.903 0.00 0.00 0.725 C ATOM 7 C UNL d 1 111.845 89.291 50.234 0.00 0.00 0.313 C ATOM 8 C UNL d 1 113.143 88.473 48.296 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 113.271 85.930 51.841 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 114.109 86.487 52.958 0.00 0.00 0.021 A ATOM 11 S UNL d 1 113.972 85.855 54.558 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 115.168 86.946 55.071 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 115.698 86.939 56.703 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 115.653 87.771 54.178 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 115.041 87.510 52.964 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 111.269 84.826 49.479 0.00 0.00 0.001 N ATOM 17 O UNL d 1 110.105 84.716 49.902 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 112.022 83.843 49.380 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3