REMARK VINA RESULT: -3.5 2.501 3.425 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 33.035 10.064 29.172 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 33.356 9.022 31.276 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 31.453 8.662 30.126 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 31.391 8.083 32.357 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 33.653 10.172 30.443 0.00 0.00 0.314 C ATOM 6 C UNL d 1 32.059 8.562 31.356 0.00 0.00 0.725 C ATOM 7 C UNL d 1 31.648 9.855 29.350 0.00 0.00 0.313 C ATOM 8 C UNL d 1 30.634 7.610 29.558 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 34.483 8.118 31.554 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 34.153 6.661 31.730 0.00 0.00 0.021 A ATOM 11 S UNL d 1 34.463 5.866 33.230 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 33.826 4.433 32.579 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 33.726 3.018 33.545 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 33.424 4.464 31.334 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 33.615 5.744 30.845 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 31.905 8.190 33.592 0.00 0.00 0.001 N ATOM 17 O UNL d 1 32.314 9.280 34.026 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 31.887 7.171 34.302 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3