REMARK VINA RESULT: 24.5 2.078 3.665 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 20.878 -4.053 1.025 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 22.691 -5.340 1.844 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 20.605 -6.192 1.879 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 22.144 -7.277 3.209 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 22.153 -4.008 1.641 0.00 0.00 0.314 C ATOM 6 C UNL d 1 21.881 -6.322 2.374 0.00 0.00 0.725 C ATOM 7 C UNL d 1 20.024 -4.881 1.790 0.00 0.00 0.313 C ATOM 8 C UNL d 1 19.815 -7.316 1.420 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 23.850 -5.702 1.014 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 24.349 -4.655 0.057 0.00 0.00 0.021 A ATOM 11 S UNL d 1 26.042 -4.409 -0.171 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 25.693 -3.197 -1.308 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 26.968 -2.386 -2.121 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 24.432 -2.922 -1.527 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 23.660 -3.758 -0.739 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 23.321 -7.270 3.854 0.00 0.00 0.001 N ATOM 17 O UNL d 1 23.450 -6.697 4.950 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 24.250 -7.918 3.344 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3