REMARK VINA RESULT: -4.0 3.393 6.015 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 37.603 -34.567 -48.871 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 36.832 -35.713 -46.946 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 35.423 -34.388 -48.102 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 34.732 -34.958 -45.977 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 37.967 -35.100 -47.610 0.00 0.00 0.314 C ATOM 6 C UNL d 1 35.627 -35.042 -46.910 0.00 0.00 0.725 C ATOM 7 C UNL d 1 36.518 -33.677 -48.701 0.00 0.00 0.313 C ATOM 8 C UNL d 1 34.154 -34.392 -48.800 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 36.869 -37.178 -46.821 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 37.804 -37.745 -45.788 0.00 0.00 0.021 A ATOM 11 S UNL d 1 37.193 -38.667 -44.463 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 38.783 -38.882 -43.906 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 39.083 -39.820 -42.501 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 39.743 -38.310 -44.588 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 39.179 -37.653 -45.668 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 35.031 -35.409 -44.749 0.00 0.00 0.001 N ATOM 17 O UNL d 1 34.574 -36.487 -44.331 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 35.836 -34.739 -44.080 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3