REMARK VINA RESULT: -4.2 3.101 4.329 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 13.024 46.537 25.405 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 14.833 45.007 25.403 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 13.413 45.062 27.152 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 15.412 43.977 27.529 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 14.346 46.298 24.956 0.00 0.00 0.314 C ATOM 6 C UNL d 1 14.644 44.633 26.716 0.00 0.00 0.725 C ATOM 7 C UNL d 1 12.980 46.389 26.810 0.00 0.00 0.313 C ATOM 8 C UNL d 1 12.514 44.234 27.928 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 15.013 43.987 24.359 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 14.006 42.872 24.322 0.00 0.00 0.021 A ATOM 11 S UNL d 1 14.372 41.334 25.016 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 12.825 40.790 24.577 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 12.326 39.199 24.982 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 12.053 41.626 23.931 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 12.733 42.822 23.781 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 16.688 43.753 27.177 0.00 0.00 0.001 N ATOM 17 O UNL d 1 17.059 42.635 26.780 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 17.460 44.726 27.200 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3