REMARK VINA RESULT: -4.5 2.947 4.223 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 -4.324 -0.811 10.503 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.106 -0.947 9.678 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.371 0.856 9.202 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.497 0.581 7.887 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.291 -1.683 10.079 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.240 0.153 8.859 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.580 0.132 9.481 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -3.403 2.300 9.315 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -0.935 -1.080 10.558 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -0.222 0.191 10.929 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -0.961 1.337 11.987 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 0.423 2.314 11.863 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 0.518 3.785 12.741 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 1.388 1.895 11.085 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 1.016 0.677 10.544 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -0.526 -0.215 7.414 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.783 -1.345 6.963 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 0.624 0.253 7.381 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3