REMARK VINA RESULT: -5.2 3.552 4.958 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 -5.584 -5.094 1.117 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -5.977 -2.871 0.396 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -7.689 -4.332 0.512 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -8.087 -2.432 -0.732 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -5.027 -3.966 0.466 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -7.273 -3.126 -0.001 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -6.790 -5.452 0.471 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -8.992 -4.530 1.113 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.673 -1.697 1.228 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -6.477 -1.536 2.489 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -7.441 -0.127 2.742 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -7.941 -0.762 4.236 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -9.060 0.104 5.207 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -7.442 -1.916 4.597 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.597 -2.360 3.595 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -7.611 -1.373 -1.406 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -6.923 -1.519 -2.430 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -7.949 -0.247 -1.003 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3