REMARK VINA RESULT: -4.8 2.441 3.455 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 -2.393 -2.150 4.251 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -4.690 -2.043 3.676 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.121 -1.839 2.071 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.239 -1.144 1.484 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.690 -1.793 4.697 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -4.446 -1.641 2.379 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -2.121 -1.478 3.038 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -2.676 -2.415 0.818 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.632 -3.140 3.948 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -6.537 -2.973 5.138 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -8.251 -2.948 4.940 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -8.421 -2.767 6.620 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -9.985 -2.692 7.323 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -7.326 -2.691 7.332 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.242 -2.806 6.479 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -6.468 -0.750 1.852 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -6.679 0.407 2.253 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -7.392 -1.568 1.706 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3