REMARK VINA RESULT: -3.6 3.583 5.271 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 42.815 67.669 57.202 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 42.719 65.329 56.838 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 43.207 66.711 55.127 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 42.580 64.574 54.530 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 42.220 66.450 57.612 0.00 0.00 0.314 C ATOM 6 C UNL d 1 42.806 65.441 55.467 0.00 0.00 0.725 C ATOM 7 C UNL d 1 42.622 67.831 55.811 0.00 0.00 0.313 C ATOM 8 C UNL d 1 44.210 66.982 54.118 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 43.574 64.375 57.560 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 43.136 63.989 58.946 0.00 0.00 0.021 A ATOM 11 S UNL d 1 41.663 63.124 59.193 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 41.973 63.113 60.863 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 40.887 62.328 61.934 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 43.057 63.718 61.278 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 43.724 64.225 60.177 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 41.983 63.416 54.849 0.00 0.00 0.001 N ATOM 17 O UNL d 1 40.762 63.362 55.075 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 42.689 62.393 54.838 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3