REMARK VINA RESULT: -3.3 3.653 5.382 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 -2.575 12.492 -13.233 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -1.228 14.201 -14.171 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -0.723 12.038 -14.553 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 0.957 13.548 -15.016 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.092 13.814 -13.071 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -0.251 13.329 -14.601 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -1.478 11.617 -13.405 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -0.513 11.078 -15.616 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.761 15.226 -15.081 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.015 14.876 -15.833 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -2.958 13.804 -17.185 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.640 13.964 -17.357 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -5.466 13.093 -18.582 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.257 14.764 -16.525 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.322 15.292 -15.652 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 1.487 14.770 -14.855 0.00 0.00 0.001 N ATOM 17 O UNL d 1 2.065 15.088 -13.802 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 1.435 15.542 -15.828 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3