REMARK VINA RESULT: -3.9 1.919 3.359 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 38.781 -38.280 -48.579 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 38.457 -39.011 -46.348 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 39.689 -37.169 -46.757 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 39.936 -38.084 -44.655 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 38.563 -39.402 -47.741 0.00 0.00 0.314 C ATOM 6 C UNL d 1 39.376 -38.128 -45.822 0.00 0.00 0.725 C ATOM 7 C UNL d 1 39.914 -37.572 -48.117 0.00 0.00 0.313 C ATOM 8 C UNL d 1 39.786 -35.759 -46.442 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 37.125 -39.146 -45.739 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 36.368 -37.872 -45.479 0.00 0.00 0.021 A ATOM 11 S UNL d 1 36.044 -36.766 -46.763 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 35.226 -35.762 -45.665 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 34.488 -34.311 -46.210 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 35.186 -36.144 -44.414 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 35.846 -37.356 -44.306 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 39.800 -39.134 -43.830 0.00 0.00 0.001 N ATOM 17 O UNL d 1 40.256 -40.250 -44.128 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 39.263 -38.922 -42.729 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3