ATX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.55Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | C5 | sing | 1.47Å | 1.47Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| C5 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C5 | O1 | sing | 1.35Å | 1.42Å | Aromatic |
| N4 | N3 | sing | 1.29Å | 1.32Å | Aromatic |
| N3 | C2 | doub | 1.31Å | 1.36Å | Aromatic |
| C2 | O1 | sing | 1.34Å | 1.41Å | Aromatic |
| C2 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C8 | sing | 1.53Å | 1.52Å | |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H93 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 109.5° | 106.6° |
| CA | N | HN2 | 109.5° | 106.6° |
| N | CA | C | 111.2° | 109.5° |
| N | CA | CB | 104.6° | 109.5° |
| N | CA | HA | 113.2° | 109.5° |
| HN1 | N | HN2 | 109.5° | 106.7° |
| C | CA | CB | 113.9° | 109.5° |
| C | CA | HA | 103.7° | 109.4° |
| CA | C | O | 121.6° | 119.9° |
| CA | C | C5 | 117.6° | 120.0° |
| CB | CA | HA | 110.5° | 109.4° |
| CA | CB | HB1 | 109.5° | 109.4° |
| CA | CB | HB2 | 109.5° | 109.5° |
| CA | CB | HB3 | 109.5° | 109.5° |
| O | C | C5 | 120.7° | 120.0° |
| C | C5 | N4 | 132.0° | 126.4° |
| C | C5 | O1 | 119.3° | 126.4° |
| HB1 | CB | HB2 | 109.5° | 109.5° |
| HB1 | CB | HB3 | 109.4° | 109.5° |
| HB2 | CB | HB3 | 109.5° | 109.4° |
| N4 | C5 | O1 | 108.7° | 107.2° |
| C5 | N4 | N3 | 109.2° | 109.1° |
| C5 | O1 | C2 | 104.1° | 106.5° |
| N4 | N3 | C2 | 110.0° | 109.4° |
| N3 | C2 | O1 | 108.0° | 107.7° |
| N3 | C2 | C6 | 133.1° | 126.1° |
| O1 | C2 | C6 | 118.8° | 126.1° |
| C2 | C6 | C7 | 109.6° | 109.5° |
| C2 | C6 | C8 | 110.2° | 109.5° |
| C2 | C6 | C9 | 108.8° | 109.5° |
| C7 | C6 | C8 | 109.2° | 109.4° |
| C7 | C6 | C9 | 110.1° | 109.5° |
| C6 | C7 | H71 | 109.5° | 109.5° |
| C6 | C7 | H72 | 109.4° | 109.4° |
| C6 | C7 | H73 | 109.5° | 109.5° |
| C8 | C6 | C9 | 108.9° | 109.4° |
| C6 | C8 | H81 | 109.4° | 109.4° |
| C6 | C8 | H82 | 109.4° | 109.5° |
| C6 | C8 | H83 | 109.5° | 109.5° |
| C6 | C9 | H91 | 109.5° | 109.4° |
| C6 | C9 | H92 | 109.4° | 109.5° |
| C6 | C9 | H93 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| H71 | C7 | H73 | 109.4° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.4° |
| H82 | C8 | H83 | 109.5° | 109.5° |
| H91 | C9 | H92 | 109.5° | 109.5° |
| H91 | C9 | H93 | 109.5° | 109.5° |
| H92 | C9 | H93 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2 | 120.0° | 113.7° |
| N | CA | C | CB | 117.9° | 120.1° |
| N | CA | C | HA | 122.0° | 120.0° |
| N | CA | CB | HA | 122.1° | 120.0° |
| N | CA | C | O | 117.4° | 15.1° |
| N | CA | C | C5 | 63.9° | 165.0° |
| N | CA | CB | HB1 | 83.3° | 60.0° |
| N | CA | CB | HB2 | 156.7° | 180.0° |
| N | CA | CB | HB3 | 36.7° | 60.0° |
| HN1 | N | CA | C | 64.1° | 66.3° |
| HN1 | N | CA | CB | 172.5° | 53.8° |
| HN1 | N | CA | HA | 52.3° | 173.8° |
| HN2 | N | CA | C | 175.9° | 180.0° |
| HN2 | N | CA | CB | 52.5° | 60.0° |
| HN2 | N | CA | HA | 67.7° | 60.0° |
| C | CA | CB | HA | 116.3° | 119.9° |
| CA | C | O | C5 | 178.6° | 179.9° |
| C | CA | CB | HB1 | 155.1° | 60.0° |
| C | CA | CB | HB2 | 35.1° | 60.0° |
| C | CA | CB | HB3 | 84.9° | 179.9° |
| CA | C | C5 | N4 | 65.0° | 0.4° |
| CA | C | C5 | O1 | 115.1° | 180.0° |
| CB | CA | C | O | 0.4° | 105.0° |
| CB | CA | C | C5 | 178.3° | 74.9° |
| CA | CB | HB1 | HB2 | 120.0° | 120.0° |
| CA | CB | HB1 | HB3 | 120.0° | 120.0° |
| CA | CB | HB2 | HB3 | 120.1° | 120.0° |
| HA | CA | C | O | 120.6° | 135.1° |
| HA | CA | C | C5 | 58.1° | 45.0° |
| HA | CA | CB | HB1 | 38.8° | 179.9° |
| HA | CA | CB | HB2 | 81.2° | 60.0° |
| HA | CA | CB | HB3 | 158.8° | 60.0° |
| O | C | C5 | N4 | 116.3° | 179.7° |
| O | C | C5 | O1 | 63.6° | 0.1° |
| C | C5 | N4 | O1 | 179.9° | 179.7° |
| C | C5 | N4 | N3 | 179.9° | 179.9° |
| C | C5 | O1 | C2 | 179.9° | 180.0° |
| HB1 | CB | HB2 | HB3 | 120.0° | 120.1° |
| C5 | N4 | N3 | C2 | 0.0° | 0.5° |
| N4 | C5 | O1 | C2 | 0.0° | 0.3° |
| O1 | C5 | N4 | N3 | 0.0° | 0.5° |
| C5 | O1 | C2 | N3 | 0.0° | 0.0° |
| C5 | O1 | C2 | C6 | 179.9° | 180.0° |
| N4 | N3 | C2 | O1 | 0.0° | 0.3° |
| N4 | N3 | C2 | C6 | 179.9° | 179.7° |
| N3 | C2 | O1 | C6 | 179.9° | 180.0° |
| N3 | C2 | C6 | C7 | 107.4° | 60.0° |
| N3 | C2 | C6 | C8 | 132.4° | 180.0° |
| N3 | C2 | C6 | C9 | 13.0° | 60.0° |
| O1 | C2 | C6 | C7 | 72.4° | 120.0° |
| O1 | C2 | C6 | C8 | 47.8° | 0.0° |
| O1 | C2 | C6 | C9 | 167.2° | 120.0° |
| C2 | C6 | C7 | C8 | 120.9° | 120.0° |
| C2 | C6 | C7 | C9 | 119.6° | 120.1° |
| C2 | C6 | C8 | C9 | 119.3° | 120.0° |
| C2 | C6 | C7 | H71 | 44.0° | 60.0° |
| C2 | C6 | C7 | H72 | 164.0° | 180.0° |
| C2 | C6 | C7 | H73 | 75.9° | 60.0° |
| C2 | C6 | C8 | H81 | 58.4° | 60.0° |
| C2 | C6 | C8 | H82 | 178.4° | 180.0° |
| C2 | C6 | C8 | H83 | 61.6° | 59.9° |
| C2 | C6 | C9 | H91 | 18.1° | 60.0° |
| C2 | C6 | C9 | H92 | 101.9° | 180.0° |
| C2 | C6 | C9 | H93 | 138.1° | 60.0° |
| C7 | C6 | C8 | C9 | 120.2° | 120.0° |
| C6 | C7 | H71 | H72 | 120.0° | 120.0° |
| C6 | C7 | H71 | H73 | 120.0° | 120.0° |
| C6 | C7 | H72 | H73 | 120.0° | 120.0° |
| C7 | C6 | C8 | H81 | 178.9° | 180.0° |
| C7 | C6 | C8 | H82 | 61.1° | 60.0° |
| C7 | C6 | C8 | H83 | 58.9° | 60.0° |
| C7 | C6 | C9 | H91 | 138.2° | 60.0° |
| C7 | C6 | C9 | H92 | 18.2° | 60.0° |
| C7 | C6 | C9 | H93 | 101.8° | 180.0° |
| C8 | C6 | C7 | H71 | 76.8° | 60.0° |
| C8 | C6 | C7 | H72 | 43.2° | 60.0° |
| C8 | C6 | C7 | H73 | 163.2° | 180.0° |
| C6 | C8 | H81 | H82 | 120.0° | 120.0° |
| C6 | C8 | H81 | H83 | 120.0° | 120.0° |
| C6 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | C6 | C9 | H91 | 102.1° | 180.0° |
| C8 | C6 | C9 | H92 | 137.9° | 60.0° |
| C8 | C6 | C9 | H93 | 17.9° | 60.0° |
| C9 | C6 | C7 | H71 | 163.6° | 180.0° |
| C9 | C6 | C7 | H72 | 76.4° | 59.9° |
| C9 | C6 | C7 | H73 | 43.7° | 60.0° |
| C9 | C6 | C8 | H81 | 60.9° | 60.0° |
| C9 | C6 | C8 | H82 | 59.1° | 60.0° |
| C9 | C6 | C8 | H83 | 179.1° | 180.0° |
| C6 | C9 | H91 | H92 | 120.0° | 120.0° |
| C6 | C9 | H91 | H93 | 120.0° | 120.0° |
| C6 | C9 | H92 | H93 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H91 | C9 | H92 | H93 | 120.0° | 120.0° |
