REMARK VINA RESULT: -4.0 3.673 5.625 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 39.640 -34.621 -47.239 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 37.809 -35.802 -46.305 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 37.434 -34.071 -47.698 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 35.627 -34.736 -46.430 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 39.184 -35.372 -46.127 0.00 0.00 0.314 C ATOM 6 C UNL d 1 36.871 -34.896 -46.753 0.00 0.00 0.725 C ATOM 7 C UNL d 1 38.751 -33.545 -47.465 0.00 0.00 0.313 C ATOM 8 C UNL d 1 36.770 -33.714 -48.934 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 37.605 -37.244 -46.507 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 37.692 -38.117 -45.285 0.00 0.00 0.021 A ATOM 11 S UNL d 1 39.226 -38.548 -44.621 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 38.430 -39.419 -43.400 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 39.337 -40.206 -42.174 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 37.122 -39.456 -43.441 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 36.698 -38.710 -44.527 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 35.144 -35.390 -45.362 0.00 0.00 0.001 N ATOM 17 O UNL d 1 35.324 -34.960 -44.210 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 34.454 -36.399 -45.581 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3