REMARK VINA RESULT: -3.7 3.407 4.774 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 4.818 0.219 4.886 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 4.193 2.320 3.985 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 5.675 2.223 5.679 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 4.731 4.292 5.302 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 3.786 0.953 4.251 0.00 0.00 0.314 C ATOM 6 C UNL d 1 4.824 3.042 4.976 0.00 0.00 0.725 C ATOM 7 C UNL d 1 5.227 0.909 6.050 0.00 0.00 0.313 C ATOM 8 C UNL d 1 7.019 2.612 6.055 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 4.391 2.671 2.570 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 5.772 3.112 2.170 0.00 0.00 0.021 A ATOM 11 S UNL d 1 6.130 4.785 1.948 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 7.734 4.372 1.576 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 8.882 5.601 1.232 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 8.042 3.100 1.566 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 6.913 2.375 1.904 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 3.749 5.032 4.765 0.00 0.00 0.001 N ATOM 17 O UNL d 1 3.886 5.578 3.657 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 2.676 5.087 5.390 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3