REMARK VINA RESULT: -6.0 0.000 0.000 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 12.774 1.235 -8.108 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 12.099 2.249 -10.141 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 10.941 2.649 -8.250 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 9.864 3.204 -10.212 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 12.737 1.104 -9.518 0.00 0.00 0.314 C ATOM 6 C UNL d 1 10.914 2.726 -9.622 0.00 0.00 0.725 C ATOM 7 C UNL d 1 11.462 1.462 -7.631 0.00 0.00 0.313 C ATOM 8 C UNL d 1 10.483 3.718 -7.387 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 12.978 3.134 -10.921 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 13.287 4.478 -10.322 0.00 0.00 0.021 A ATOM 11 S UNL d 1 14.353 4.614 -8.971 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 14.143 6.299 -9.000 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 14.983 7.290 -7.880 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 13.329 6.789 -9.900 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 12.833 5.742 -10.657 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 9.751 3.076 -11.542 0.00 0.00 0.001 N ATOM 17 O UNL d 1 9.854 1.966 -12.093 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 9.470 4.100 -12.188 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3