REMARK VINA RESULT: -5.3 2.424 3.029 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 -2.116 -0.908 6.299 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.614 -2.260 5.056 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.001 -3.224 6.299 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.985 -4.585 4.719 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.929 -0.984 5.140 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.908 -3.422 5.285 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -1.232 -2.011 6.315 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.790 -4.176 7.370 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.071 -2.225 5.254 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.775 -0.952 4.870 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -7.265 -0.512 5.621 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -7.293 0.907 4.689 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -8.568 2.039 4.882 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -6.315 1.088 3.838 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -5.444 0.017 3.940 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -3.707 -4.714 3.595 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -4.950 -4.702 3.624 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -3.081 -4.773 2.524 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3