REMARK VINA RESULT: -5.6 2.522 2.731 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 -4.027 -3.217 5.105 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -4.154 -2.354 2.902 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.143 -2.702 3.855 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.138 -1.345 1.991 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.795 -2.443 4.200 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.807 -2.069 2.831 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -2.718 -2.687 5.171 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -0.890 -3.406 3.671 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -4.820 -3.069 1.802 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -5.748 -2.263 0.935 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -6.664 -0.962 1.602 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -7.321 -0.662 0.065 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -8.417 0.638 -0.164 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -6.954 -1.454 -0.910 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.053 -2.377 -0.410 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -2.807 -0.559 1.134 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.428 0.443 1.530 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.720 -0.835 -0.074 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3