REMARK VINA RESULT: -6.1 3.507 4.488 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 1 111.719 84.908 54.635 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 112.849 84.494 52.593 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 110.791 83.640 52.929 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 111.986 82.699 51.197 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 112.983 84.752 54.014 0.00 0.00 0.314 C ATOM 6 C UNL d 1 111.928 83.564 52.160 0.00 0.00 0.725 C ATOM 7 C UNL d 1 110.924 83.774 54.354 0.00 0.00 0.313 C ATOM 8 C UNL d 1 109.454 83.610 52.373 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 113.294 85.571 51.696 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 112.583 86.891 51.819 0.00 0.00 0.021 A ATOM 11 S UNL d 1 111.453 87.394 50.615 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 111.173 88.816 51.501 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 110.027 89.965 50.944 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 111.859 88.984 52.602 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 112.673 87.879 52.783 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 113.165 82.477 50.595 0.00 0.00 0.001 N ATOM 17 O UNL d 1 113.962 81.631 51.035 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 113.390 83.101 49.544 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3