DNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | N5 | doub | 1.22Å | 1.23Å | |
| O52 | N5 | sing | 1.22Å | 1.22Å | |
| N5 | C5 | sing | 1.48Å | 1.40Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N3 | sing | 1.48Å | 1.40Å | |
| C2 | N13 | sing | 1.40Å | 1.35Å | |
| O3 | N3 | doub | 1.22Å | 1.22Å | |
| N3 | O32 | sing | 1.22Å | 1.22Å | |
| N13 | CB | sing | 1.47Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| N13 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 38.15Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | N5 | O52 | 120.7° | 120.0° |
| O5 | N5 | C5 | 121.4° | 120.0° |
| O52 | N5 | C5 | 117.9° | 120.0° |
| N5 | C5 | C6 | 121.6° | 119.9° |
| N5 | C5 | C4 | 118.1° | 119.9° |
| C6 | C5 | C4 | 120.3° | 120.2° |
| C5 | C6 | C7 | 120.1° | 120.1° |
| C5 | C6 | H9 | 120.0° | 120.0° |
| C5 | C4 | C3 | 119.6° | 120.1° |
| C5 | C4 | H8 | 120.2° | 120.0° |
| C6 | C7 | C2 | 119.8° | 119.9° |
| C7 | C6 | H9 | 119.9° | 119.9° |
| C6 | C7 | H10 | 120.1° | 120.1° |
| C4 | C3 | C2 | 120.6° | 119.9° |
| C4 | C3 | N3 | 117.8° | 120.0° |
| C3 | C4 | H8 | 120.2° | 120.0° |
| C7 | C2 | C3 | 119.6° | 119.9° |
| C7 | C2 | N13 | 119.8° | 120.1° |
| C2 | C7 | H10 | 120.1° | 120.0° |
| C2 | C3 | N3 | 121.6° | 120.0° |
| C3 | C2 | N13 | 120.6° | 120.0° |
| C3 | N3 | O3 | 119.1° | 120.0° |
| C3 | N3 | O32 | 120.4° | 120.0° |
| C2 | N13 | CB | 122.9° | 120.0° |
| C2 | N13 | H7 | 106.0° | 120.0° |
| O3 | N3 | O32 | 120.5° | 120.0° |
| N13 | CB | CA | 109.8° | 109.5° |
| N13 | CB | H5 | 109.4° | 109.5° |
| N13 | CB | H6 | 109.4° | 109.5° |
| CB | N13 | H7 | 106.0° | 120.0° |
| C | CA | CB | 110.1° | 109.5° |
| C | CA | N | 114.0° | 109.5° |
| CA | C | O | 120.0° | 120.0° |
| C | CA | HA | 108.4° | 109.5° |
| CA | C | OXT | 80.0° | 120.0° |
| CB | CA | N | 107.6° | 109.4° |
| CB | CA | HA | 108.0° | 109.5° |
| CA | CB | H5 | 109.4° | 109.5° |
| CA | CB | H6 | 109.4° | 109.4° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.5° | 109.5° |
| O | C | OXT | 40.4° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | N5 | O52 | C5 | 178.8° | 180.0° |
| O5 | N5 | C5 | C6 | 19.2° | 0.0° |
| O5 | N5 | C5 | C4 | 159.4° | 179.7° |
| O52 | N5 | C5 | C6 | 162.0° | 180.0° |
| O52 | N5 | C5 | C4 | 19.4° | 0.2° |
| N5 | C5 | C6 | C4 | 178.6° | 179.7° |
| N5 | C5 | C6 | C7 | 179.2° | 179.9° |
| N5 | C5 | C4 | C3 | 179.5° | 179.7° |
| N5 | C5 | C4 | H8 | 0.5° | 0.2° |
| N5 | C5 | C6 | H9 | 0.8° | 0.3° |
| C5 | C6 | C7 | H9 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 0.9° | 0.0° |
| C5 | C6 | C7 | C2 | 0.1° | 0.6° |
| C6 | C5 | C4 | H8 | 179.1° | 180.0° |
| C5 | C6 | C7 | H10 | 179.9° | 179.9° |
| C4 | C5 | C6 | C7 | 0.6° | 0.3° |
| C5 | C4 | C3 | H8 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C5 | C4 | C3 | N3 | 179.7° | 180.0° |
| C4 | C5 | C6 | H9 | 179.4° | 180.0° |
| C6 | C7 | C2 | H10 | 180.0° | 179.5° |
| C6 | C7 | C2 | C3 | 0.5° | 0.6° |
| C6 | C7 | C2 | N13 | 179.2° | 179.7° |
| C4 | C3 | C2 | C7 | 0.2° | 0.2° |
| C4 | C3 | C2 | N3 | 179.2° | 180.0° |
| C4 | C3 | C2 | N13 | 178.9° | 180.0° |
| C4 | C3 | N3 | O3 | 1.9° | 37.5° |
| C4 | C3 | N3 | O32 | 177.4° | 142.5° |
| C7 | C2 | C3 | N13 | 178.7° | 179.8° |
| C7 | C2 | C3 | N3 | 179.0° | 179.7° |
| C7 | C2 | N13 | CB | 1.6° | 5.9° |
| C7 | C2 | N13 | H7 | 120.3° | 174.2° |
| C2 | C7 | C6 | H9 | 180.0° | 179.8° |
| C2 | C3 | N3 | O3 | 178.9° | 142.5° |
| C2 | C3 | N3 | O32 | 1.8° | 37.5° |
| C3 | C2 | N13 | CB | 179.7° | 174.4° |
| C3 | C2 | N13 | H7 | 58.4° | 5.6° |
| C2 | C3 | C4 | H8 | 179.5° | 180.0° |
| C3 | C2 | C7 | H10 | 179.6° | 180.0° |
| N3 | C3 | C2 | N13 | 0.3° | 0.0° |
| C3 | N3 | O3 | O32 | 179.3° | 180.0° |
| N3 | C3 | C4 | H8 | 0.3° | 0.0° |
| C2 | N13 | CB | H7 | 121.9° | 180.0° |
| C2 | N13 | CB | CA | 102.5° | 180.0° |
| C2 | N13 | CB | H5 | 17.5° | 60.0° |
| C2 | N13 | CB | H6 | 137.5° | 60.0° |
| N13 | C2 | C7 | H10 | 0.8° | 0.2° |
| N13 | CB | CA | C | 173.2° | 175.0° |
| N13 | CB | CA | H5 | 120.0° | 120.1° |
| N13 | CB | CA | H6 | 120.0° | 120.0° |
| N13 | CB | CA | N | 62.0° | 55.0° |
| N13 | CB | CA | HA | 55.0° | 65.0° |
| N13 | CB | H5 | H6 | 119.9° | 120.0° |
| C | CA | CB | N | 124.8° | 120.0° |
| C | CA | CB | HA | 118.2° | 120.0° |
| C | CA | N | HA | 120.9° | 120.0° |
| CA | C | O | OXT | 8.7° | 180.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 59.9° |
| C | CA | CB | H5 | 53.2° | 55.0° |
| C | CA | CB | H6 | 66.8° | 65.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CB | CA | N | HA | 116.7° | 120.0° |
| CB | CA | C | O | 82.3° | 100.0° |
| CB | CA | N | H | 57.5° | 176.0° |
| CB | CA | N | H2 | 177.5° | 60.0° |
| CA | CB | H5 | H6 | 119.9° | 120.0° |
| CA | CB | N13 | H7 | 135.6° | 0.0° |
| CB | CA | C | OXT | 76.5° | 80.0° |
| N | CA | C | O | 38.8° | 20.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 178.0° | 65.1° |
| N | CA | CB | H6 | 58.0° | 175.0° |
| N | CA | C | OXT | 44.5° | 160.0° |
| O | C | CA | HA | 159.8° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| H | N | CA | HA | 59.1° | 56.1° |
| H2 | N | CA | HA | 60.8° | 180.0° |
| HA | CA | CB | H5 | 65.1° | 175.0° |
| HA | CA | CB | H6 | 175.0° | 55.0° |
| HA | CA | C | OXT | 165.5° | 40.0° |
| H5 | CB | N13 | H7 | 104.3° | 120.0° |
| H6 | CB | N13 | H7 | 15.6° | 120.0° |
| H9 | C6 | C7 | H10 | 0.0° | 0.3° |
