REMARK VINA RESULT: -3.9 2.922 4.191 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 32.287 4.930 30.347 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 34.363 5.863 31.007 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 33.096 6.918 29.471 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 35.296 7.600 29.584 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 33.592 4.648 30.820 0.00 0.00 0.314 C ATOM 6 C UNL d 1 34.353 6.827 30.022 0.00 0.00 0.725 C ATOM 7 C UNL d 1 32.380 5.710 29.172 0.00 0.00 0.313 C ATOM 8 C UNL d 1 32.444 8.181 29.191 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 34.666 6.227 32.400 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 33.880 7.366 32.987 0.00 0.00 0.021 A ATOM 11 S UNL d 1 32.313 7.097 33.659 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 32.219 8.747 34.050 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 30.840 9.360 34.867 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 33.229 9.505 33.707 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 34.182 8.712 33.092 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 36.560 7.360 29.964 0.00 0.00 0.001 N ATOM 17 O UNL d 1 37.075 7.975 30.914 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 37.166 6.451 29.372 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3