REMARK VINA RESULT: -5.9 0.000 0.000 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 -5.181 -2.630 4.621 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -4.872 -1.637 2.492 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.365 -3.122 3.265 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.662 -1.824 1.494 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -5.416 -1.480 3.827 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.596 -2.136 2.336 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.796 -2.916 4.620 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -2.719 -4.378 2.943 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.855 -1.761 1.404 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -6.126 -3.149 0.893 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -5.903 -3.530 -0.775 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.370 -5.130 -0.451 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -6.381 -6.295 -1.711 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -6.712 -5.421 0.778 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.575 -4.281 1.551 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -2.807 -0.723 0.741 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -2.762 0.412 1.245 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.917 -0.887 -0.486 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3