REMARK VINA RESULT: -6.2 3.216 4.774 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 1 114.946 85.861 54.876 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 113.804 85.283 52.882 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 112.691 85.317 54.841 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 111.641 84.198 53.121 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 115.069 85.279 53.591 0.00 0.00 0.314 C ATOM 6 C UNL d 1 112.661 84.879 53.538 0.00 0.00 0.725 C ATOM 7 C UNL d 1 113.915 85.201 55.585 0.00 0.00 0.313 C ATOM 8 C UNL d 1 111.549 85.912 55.504 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 113.715 86.186 51.724 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 112.796 87.369 51.859 0.00 0.00 0.021 A ATOM 11 S UNL d 1 111.567 87.665 50.684 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 111.077 89.029 51.569 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 109.740 89.965 51.037 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 111.753 89.319 52.651 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 112.744 88.368 52.816 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 111.711 83.589 51.927 0.00 0.00 0.001 N ATOM 17 O UNL d 1 112.364 82.542 51.777 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 111.040 84.077 51.003 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3