REMARK VINA RESULT: -4.1 3.428 5.028 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 17.930 -28.602 -3.523 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 17.149 -30.423 -2.223 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 18.343 -30.812 -4.094 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 17.172 -32.619 -3.268 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 16.913 -29.056 -2.647 0.00 0.00 0.314 C ATOM 6 C UNL d 1 17.501 -31.370 -3.161 0.00 0.00 0.725 C ATOM 7 C UNL d 1 18.042 -29.504 -4.607 0.00 0.00 0.313 C ATOM 8 C UNL d 1 19.537 -31.472 -4.579 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 17.513 -30.607 -0.809 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 18.982 -30.686 -0.495 0.00 0.00 0.021 A ATOM 11 S UNL d 1 19.835 -32.178 -0.651 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 21.260 -31.392 -0.166 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 22.738 -32.260 -0.089 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 21.174 -30.121 0.135 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 19.863 -29.716 -0.050 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 16.188 -33.099 -2.493 0.00 0.00 0.001 N ATOM 17 O UNL d 1 15.004 -32.769 -2.677 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 16.503 -33.940 -1.634 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3