REMARK VINA RESULT: -4.8 3.353 4.360 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 -4.520 -1.321 10.520 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.287 -1.173 9.742 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.740 0.493 9.305 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.823 0.485 8.024 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.387 -2.053 10.087 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.530 -0.062 8.962 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.864 -0.373 9.529 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -3.938 1.918 9.472 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.125 -1.207 10.643 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -0.616 0.119 11.140 0.00 0.00 0.021 A ATOM 11 S UNL d 1 1.012 0.604 10.837 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 0.707 2.063 11.650 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 1.939 3.252 11.774 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -0.485 2.230 12.161 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -1.245 1.110 11.872 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -0.759 -0.176 7.544 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.875 -1.313 7.055 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 0.329 0.425 7.544 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3