REMARK VINA RESULT: -5.1 1.453 1.739 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 8.887 2.841 2.777 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 6.522 2.865 2.624 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 7.515 2.209 4.537 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 5.291 1.639 4.325 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 7.775 2.707 1.909 0.00 0.00 0.314 C ATOM 6 C UNL d 1 6.341 2.208 3.822 0.00 0.00 0.725 C ATOM 7 C UNL d 1 8.746 1.932 3.851 0.00 0.00 0.313 C ATOM 8 C UNL d 1 7.578 2.495 5.956 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 5.755 4.084 2.322 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 4.796 4.558 3.379 0.00 0.00 0.021 A ATOM 11 S UNL d 1 3.190 5.032 2.958 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 2.878 5.352 4.597 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 1.323 5.886 5.087 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 3.859 5.173 5.443 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 4.964 4.720 4.742 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 4.218 1.447 3.542 0.00 0.00 0.001 N ATOM 17 O UNL d 1 4.342 1.108 2.352 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 3.101 1.554 4.076 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3