REMARK VINA RESULT: -5.7 1.767 3.295 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 5.589 1.671 6.435 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 6.492 2.866 4.599 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 5.029 1.192 4.236 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 6.250 1.860 2.398 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 6.707 2.397 5.955 0.00 0.00 0.314 C ATOM 6 C UNL d 1 5.979 1.999 3.658 0.00 0.00 0.725 C ATOM 7 C UNL d 1 5.293 0.626 5.530 0.00 0.00 0.313 C ATOM 8 C UNL d 1 3.757 0.892 3.612 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 6.331 4.319 4.436 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 4.972 4.805 4.013 0.00 0.00 0.021 A ATOM 11 S UNL d 1 3.659 4.824 5.132 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 2.661 5.471 3.920 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 1.026 5.859 4.267 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 3.192 5.655 2.738 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 4.520 5.268 2.790 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 7.320 2.490 1.891 0.00 0.00 0.001 N ATOM 17 O UNL d 1 7.235 3.647 1.446 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 8.409 1.894 1.952 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3