REMARK VINA RESULT: -6.2 2.619 3.934 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 1 112.609 86.014 48.352 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 112.689 87.803 49.904 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 111.437 85.984 50.353 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 110.975 87.849 51.628 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 112.771 87.413 48.509 0.00 0.00 0.314 C ATOM 6 C UNL d 1 111.675 87.296 50.688 0.00 0.00 0.725 C ATOM 7 C UNL d 1 111.398 85.618 48.964 0.00 0.00 0.313 C ATOM 8 C UNL d 1 111.241 84.938 51.336 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 113.941 88.269 50.519 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 114.381 87.565 51.773 0.00 0.00 0.021 A ATOM 11 S UNL d 1 114.987 88.461 53.118 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 115.183 87.008 53.973 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 115.768 87.031 55.587 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 114.872 85.898 53.354 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 114.415 86.217 52.088 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 111.055 89.177 51.802 0.00 0.00 0.001 N ATOM 17 O UNL d 1 110.607 89.965 50.951 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 111.529 89.579 52.878 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3