REMARK VINA RESULT: -5.8 3.088 4.552 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 -3.193 -3.478 -0.718 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -4.513 -1.938 0.508 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -5.399 -3.905 -0.145 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -6.918 -2.296 0.504 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.420 -2.109 -0.431 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -5.684 -2.641 0.317 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.399 -4.062 -1.165 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -6.047 -5.097 0.360 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.143 -1.463 1.850 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.315 -2.437 2.983 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.452 -3.932 2.995 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.172 -4.313 4.484 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -3.771 -5.778 5.284 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.025 -3.453 4.978 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -5.111 -2.376 4.114 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -7.204 -1.007 0.741 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -7.212 -0.551 1.897 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -7.388 -0.277 -0.248 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3