REMARK VINA RESULT: -4.1 1.772 3.420 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 20.828 -31.462 -2.112 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 19.762 -31.411 0.004 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 21.859 -30.616 -0.215 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 21.177 -31.040 1.946 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 19.879 -32.094 -1.271 0.00 0.00 0.314 C ATOM 6 C UNL d 1 20.906 -31.042 0.679 0.00 0.00 0.725 C ATOM 7 C UNL d 1 22.060 -31.364 -1.425 0.00 0.00 0.313 C ATOM 8 C UNL d 1 22.666 -29.431 -0.008 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 18.497 -30.699 0.242 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 17.816 -30.110 -0.963 0.00 0.00 0.021 A ATOM 11 S UNL d 1 16.681 -31.039 -1.873 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 16.445 -29.708 -2.900 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 15.317 -29.806 -4.189 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 17.149 -28.631 -2.662 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 17.940 -28.863 -1.551 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 20.337 -31.657 2.791 0.00 0.00 0.001 N ATOM 17 O UNL d 1 20.350 -32.893 2.924 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 19.598 -30.935 3.482 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3