REMARK VINA RESULT: -3.9 1.885 3.142 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 39.039 -39.317 -47.779 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 38.125 -39.520 -45.603 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 39.764 -38.024 -45.996 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 39.385 -38.523 -43.777 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 38.431 -40.196 -46.849 0.00 0.00 0.314 C ATOM 6 C UNL d 1 39.078 -38.710 -45.022 0.00 0.00 0.725 C ATOM 7 C UNL d 1 40.175 -38.725 -47.180 0.00 0.00 0.313 C ATOM 8 C UNL d 1 40.081 -36.615 -45.897 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 36.697 -39.310 -45.315 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 36.207 -37.888 -45.328 0.00 0.00 0.021 A ATOM 11 S UNL d 1 36.359 -36.920 -46.748 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 35.607 -35.636 -45.929 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 35.311 -34.153 -46.741 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 35.271 -35.833 -44.680 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 35.620 -37.127 -44.333 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 38.872 -39.348 -42.851 0.00 0.00 0.001 N ATOM 17 O UNL d 1 37.776 -39.112 -42.315 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 39.506 -40.389 -42.607 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3