2NY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAC | C6 | sing | 1.38Å | 1.31Å | |
| CAH | CAA | sing | 1.53Å | 1.56Å | |
| CAH | NAP | sing | 1.46Å | 1.48Å | |
| N1 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.37Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| NAP | C2 | sing | 1.38Å | 1.33Å | |
| NAP | CAI | sing | 1.46Å | 1.46Å | |
| C2 | N3 | doub | 1.32Å | 1.37Å | Aromatic |
| CAB | CAI | sing | 1.53Å | 1.54Å | |
| C5 | CAG | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.41Å | Aromatic |
| CAG | CAE | sing | 1.36Å | 1.42Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| C4 | CAF | doub | 1.40Å | 1.41Å | Aromatic |
| CAE | CAD | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAD | sing | 1.36Å | 1.37Å | Aromatic |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAD | H12 | sing | 1.08Å | 1.08Å | |
| CAE | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| NAC | H15 | sing | 0.97Å | 1.00Å | |
| NAC | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAC | C6 | N1 | 115.6° | 120.8° |
| NAC | C6 | C5 | 119.9° | 120.9° |
| C6 | NAC | H15 | 109.5° | 120.1° |
| C6 | NAC | H16 | 109.5° | 119.9° |
| CAA | CAH | NAP | 113.3° | 109.5° |
| CAH | CAA | H1 | 109.5° | 109.5° |
| CAH | CAA | H2 | 109.5° | 109.4° |
| CAH | CAA | H3 | 109.5° | 109.5° |
| CAA | CAH | H4 | 108.5° | 109.5° |
| CAA | CAH | H5 | 108.5° | 109.5° |
| CAH | NAP | C2 | 121.4° | 120.0° |
| CAH | NAP | CAI | 118.2° | 120.0° |
| NAP | CAH | H4 | 108.5° | 109.5° |
| NAP | CAH | H5 | 108.5° | 109.4° |
| C6 | N1 | C2 | 117.0° | 121.5° |
| N1 | C6 | C5 | 124.5° | 118.3° |
| N1 | C2 | NAP | 116.4° | 118.7° |
| N1 | C2 | N3 | 121.7° | 122.7° |
| C6 | C5 | CAG | 124.3° | 122.0° |
| C6 | C5 | C4 | 116.3° | 118.3° |
| C2 | NAP | CAI | 119.7° | 120.0° |
| NAP | C2 | N3 | 121.7° | 118.6° |
| NAP | CAI | CAB | 107.9° | 109.5° |
| NAP | CAI | H6 | 109.8° | 109.5° |
| NAP | CAI | H7 | 109.9° | 109.5° |
| C2 | N3 | C4 | 121.9° | 120.4° |
| CAB | CAI | H6 | 109.9° | 109.4° |
| CAB | CAI | H7 | 109.9° | 109.5° |
| CAI | CAB | H8 | 109.5° | 109.5° |
| CAI | CAB | H9 | 109.5° | 109.5° |
| CAI | CAB | H10 | 109.5° | 109.5° |
| CAG | C5 | C4 | 119.3° | 119.6° |
| C5 | CAG | CAE | 119.1° | 119.5° |
| C5 | CAG | H14 | 120.5° | 120.2° |
| C5 | C4 | N3 | 118.5° | 118.7° |
| C5 | C4 | CAF | 119.9° | 119.3° |
| CAG | CAE | CAD | 121.0° | 120.9° |
| CAG | CAE | H13 | 119.5° | 119.5° |
| CAE | CAG | H14 | 120.4° | 120.3° |
| N3 | C4 | CAF | 121.6° | 121.9° |
| C4 | CAF | CAD | 121.3° | 119.6° |
| C4 | CAF | H11 | 119.4° | 120.2° |
| CAE | CAD | CAF | 119.4° | 121.0° |
| CAE | CAD | H12 | 120.3° | 119.5° |
| CAD | CAE | H13 | 119.5° | 119.6° |
| CAD | CAF | H11 | 119.4° | 120.2° |
| CAF | CAD | H12 | 120.3° | 119.5° |
| H1 | CAA | H2 | 109.4° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.5° |
| H4 | CAH | H5 | 109.5° | 109.5° |
| H6 | CAI | H7 | 109.5° | 109.5° |
| H8 | CAB | H9 | 109.5° | 109.5° |
| H8 | CAB | H10 | 109.4° | 109.5° |
| H9 | CAB | H10 | 109.5° | 109.5° |
| H15 | NAC | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAC | C6 | N1 | C5 | 177.9° | 179.9° |
| NAC | C6 | N1 | C2 | 178.7° | 180.0° |
| NAC | C6 | C5 | CAG | 0.3° | 0.1° |
| NAC | C6 | C5 | C4 | 177.0° | 179.7° |
| C6 | NAC | H15 | H16 | 120.0° | 180.0° |
| CAA | CAH | NAP | H4 | 120.6° | 120.0° |
| CAA | CAH | NAP | H5 | 120.5° | 120.0° |
| CAA | CAH | NAP | C2 | 83.5° | 90.0° |
| CAA | CAH | NAP | CAI | 86.9° | 90.0° |
| CAH | CAA | H1 | H2 | 120.0° | 120.0° |
| CAH | CAA | H1 | H3 | 120.0° | 120.0° |
| CAH | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAH | H4 | H5 | 118.2° | 120.0° |
| CAH | NAP | C2 | N1 | 5.1° | 0.3° |
| CAH | NAP | C2 | CAI | 170.2° | 180.0° |
| CAH | NAP | C2 | N3 | 169.7° | 180.0° |
| CAH | NAP | CAI | CAB | 49.9° | 90.0° |
| NAP | CAH | CAA | H1 | 180.0° | 60.0° |
| NAP | CAH | CAA | H2 | 60.0° | 180.0° |
| NAP | CAH | CAA | H3 | 60.0° | 60.1° |
| NAP | CAH | H4 | H5 | 118.3° | 120.0° |
| CAH | NAP | CAI | H6 | 69.9° | 150.0° |
| CAH | NAP | CAI | H7 | 169.6° | 30.0° |
| C6 | N1 | C2 | NAP | 176.4° | 180.0° |
| C6 | N1 | C2 | N3 | 1.6° | 0.3° |
| N1 | C6 | C5 | CAG | 177.5° | 180.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.2° |
| N1 | C6 | NAC | H15 | 0.0° | 0.1° |
| N1 | C6 | NAC | H16 | 120.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.8° | 0.1° |
| N1 | C2 | NAP | N3 | 174.7° | 179.7° |
| N1 | C2 | NAP | CAI | 175.3° | 179.7° |
| N1 | C2 | N3 | C4 | 0.8° | 0.3° |
| C6 | C5 | CAG | C4 | 176.6° | 179.8° |
| C6 | C5 | CAG | CAE | 179.3° | 179.7° |
| C6 | C5 | C4 | N3 | 1.6° | 0.2° |
| C6 | C5 | C4 | CAF | 178.3° | 179.8° |
| C6 | C5 | CAG | H14 | 0.7° | 0.2° |
| C5 | C6 | NAC | H15 | 178.0° | 180.0° |
| C5 | C6 | NAC | H16 | 62.0° | 0.0° |
| C2 | NAP | CAI | CAB | 139.5° | 90.0° |
| NAP | C2 | N3 | C4 | 175.3° | 179.9° |
| C2 | NAP | CAH | H4 | 37.0° | 30.0° |
| C2 | NAP | CAH | H5 | 155.9° | 150.0° |
| C2 | NAP | CAI | H6 | 100.7° | 30.0° |
| C2 | NAP | CAI | H7 | 19.8° | 150.0° |
| CAI | NAP | C2 | N3 | 0.6° | 0.0° |
| NAP | CAI | CAB | H6 | 119.8° | 120.0° |
| NAP | CAI | CAB | H7 | 119.8° | 120.0° |
| CAI | NAP | CAH | H4 | 152.6° | 150.0° |
| CAI | NAP | CAH | H5 | 33.7° | 30.0° |
| NAP | CAI | H6 | H7 | 120.7° | 120.0° |
| NAP | CAI | CAB | H8 | 180.0° | 60.0° |
| NAP | CAI | CAB | H9 | 60.0° | 180.0° |
| NAP | CAI | CAB | H10 | 60.0° | 60.0° |
| C2 | N3 | C4 | C5 | 0.8° | 0.0° |
| C2 | N3 | C4 | CAF | 179.0° | 180.0° |
| CAB | CAI | H6 | H7 | 120.7° | 120.0° |
| CAI | CAB | H8 | H9 | 120.0° | 120.0° |
| CAI | CAB | H8 | H10 | 120.0° | 120.0° |
| CAI | CAB | H9 | H10 | 120.0° | 120.0° |
| C5 | CAG | CAE | H14 | 180.0° | 179.9° |
| CAG | C5 | C4 | N3 | 178.4° | 180.0° |
| CAG | C5 | C4 | CAF | 1.4° | 0.0° |
| C5 | CAG | CAE | CAD | 2.2° | 0.1° |
| C5 | CAG | CAE | H13 | 177.8° | 180.0° |
| C4 | C5 | CAG | CAE | 2.7° | 0.0° |
| C5 | C4 | N3 | CAF | 179.8° | 180.0° |
| C5 | C4 | CAF | CAD | 0.5° | 0.0° |
| C5 | C4 | CAF | H11 | 179.5° | 180.0° |
| C4 | C5 | CAG | H14 | 177.3° | 180.0° |
| CAG | CAE | CAD | H13 | 180.0° | 179.9° |
| CAG | CAE | CAD | CAF | 0.3° | 0.1° |
| CAG | CAE | CAD | H12 | 179.7° | 180.0° |
| N3 | C4 | CAF | CAD | 179.6° | 179.9° |
| N3 | C4 | CAF | H11 | 0.4° | 0.1° |
| C4 | CAF | CAD | CAE | 1.1° | 0.1° |
| C4 | CAF | CAD | H11 | 180.0° | 180.0° |
| C4 | CAF | CAD | H12 | 179.0° | 180.0° |
| CAE | CAD | CAF | H12 | 180.0° | 179.9° |
| CAE | CAD | CAF | H11 | 178.9° | 179.9° |
| CAD | CAE | CAG | H14 | 177.8° | 180.0° |
| CAF | CAD | CAE | H13 | 179.7° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAH | H4 | 59.4° | 180.0° |
| H1 | CAA | CAH | H5 | 59.4° | 60.0° |
| H2 | CAA | CAH | H4 | 60.6° | 60.0° |
| H2 | CAA | CAH | H5 | 179.4° | 60.0° |
| H3 | CAA | CAH | H4 | 179.5° | 60.0° |
| H3 | CAA | CAH | H5 | 60.6° | 180.0° |
| H6 | CAI | CAB | H8 | 60.2° | 60.0° |
| H6 | CAI | CAB | H9 | 179.7° | 60.0° |
| H6 | CAI | CAB | H10 | 59.8° | 180.0° |
| H7 | CAI | CAB | H8 | 60.3° | 180.0° |
| H7 | CAI | CAB | H9 | 59.8° | 60.0° |
| H7 | CAI | CAB | H10 | 179.8° | 60.0° |
| H8 | CAB | H9 | H10 | 120.0° | 120.0° |
| H11 | CAF | CAD | H12 | 1.1° | 0.0° |
| H12 | CAD | CAE | H13 | 0.3° | 0.1° |
| H13 | CAE | CAG | H14 | 2.2° | 0.1° |
