REMARK VINA RESULT: 5.5 1.702 3.313 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 20.773 8.717 -12.859 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 21.555 6.729 -11.834 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 21.486 8.646 -10.653 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 22.783 6.968 -9.749 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 21.421 7.475 -13.071 0.00 0.00 0.314 C ATOM 6 C UNL d 1 22.003 7.373 -10.701 0.00 0.00 0.725 C ATOM 7 C UNL d 1 21.465 9.433 -11.855 0.00 0.00 0.313 C ATOM 8 C UNL d 1 20.940 9.234 -9.447 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 20.733 5.514 -11.721 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 20.485 4.745 -12.990 0.00 0.00 0.021 A ATOM 11 S UNL d 1 21.688 3.678 -13.618 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 20.642 3.285 -14.897 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 21.119 2.134 -16.077 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 19.482 3.889 -14.934 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 19.393 4.732 -13.839 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 23.456 5.818 -9.907 0.00 0.00 0.001 N ATOM 17 O UNL d 1 22.885 4.786 -10.299 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 24.684 5.850 -9.713 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3