REMARK VINA RESULT: -4.5 3.442 5.003 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 3.025 4.756 3.423 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 4.760 3.928 4.808 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 3.726 2.546 3.360 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 4.950 1.513 5.018 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 3.685 4.893 4.669 0.00 0.00 0.314 C ATOM 6 C UNL d 1 4.533 2.611 4.471 0.00 0.00 0.725 C ATOM 7 C UNL d 1 2.588 3.419 3.277 0.00 0.00 0.313 C ATOM 8 C UNL d 1 3.974 1.648 2.252 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 6.125 4.475 4.788 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 7.092 3.843 3.824 0.00 0.00 0.021 A ATOM 11 S UNL d 1 6.905 4.062 2.123 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 8.296 3.122 1.869 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 8.878 2.858 0.276 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 8.887 2.623 2.925 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 8.192 3.035 4.049 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 5.549 1.572 6.218 0.00 0.00 0.001 N ATOM 17 O UNL d 1 6.788 1.572 6.320 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 4.813 1.698 7.212 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3