D0Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.27Å | |
| C10 | C9 | sing | 1.51Å | 1.54Å | |
| C10 | CA | sing | 1.53Å | 1.54Å | |
| C8 | C9 | doub | 1.34Å | 1.26Å | Aromatic |
| C8 | N1 | sing | 1.37Å | 1.36Å | Aromatic |
| C9 | C4 | sing | 1.46Å | 1.29Å | Aromatic |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| N1 | C5 | sing | 1.38Å | 1.45Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.08Å | 1.08Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 121.6° | 120.0° |
| O | C | OXT | 120.5° | 119.9° |
| C9 | C10 | CA | 113.5° | 109.5° |
| C10 | C9 | C8 | 118.9° | 126.5° |
| C10 | C9 | C4 | 121.5° | 126.5° |
| C9 | C10 | H102 | 108.4° | 109.5° |
| C9 | C10 | H101 | 108.4° | 109.4° |
| C10 | CA | C | 110.9° | 109.5° |
| C10 | CA | N | 111.7° | 109.5° |
| C10 | CA | HA | 108.3° | 109.5° |
| CA | C10 | H102 | 108.5° | 109.5° |
| CA | C10 | H101 | 108.5° | 109.5° |
| C9 | C8 | N1 | 107.2° | 109.9° |
| C8 | C9 | C4 | 119.6° | 107.0° |
| C9 | C8 | H81 | 126.4° | 125.0° |
| C8 | N1 | C5 | 104.1° | 109.9° |
| N1 | C8 | H81 | 126.4° | 125.0° |
| C8 | N1 | H1 | 127.9° | 125.1° |
| C9 | C4 | C5 | 101.6° | 106.1° |
| C9 | C4 | C3 | 138.0° | 134.0° |
| CA | C | OXT | 117.9° | 120.0° |
| C | CA | N | 108.3° | 109.5° |
| C | CA | HA | 108.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| N | CA | HA | 109.2° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N1 | C5 | C4 | 107.4° | 107.1° |
| N1 | C5 | C6 | 130.9° | 133.5° |
| C5 | N1 | H1 | 127.9° | 125.0° |
| C5 | C4 | C3 | 120.3° | 119.9° |
| C4 | C5 | C6 | 121.6° | 119.4° |
| C4 | C3 | C2 | 119.1° | 119.8° |
| C4 | C3 | H31 | 120.4° | 120.1° |
| C5 | C6 | C7 | 118.5° | 119.8° |
| C5 | C6 | H61 | 120.7° | 120.1° |
| C3 | C2 | C7 | 122.1° | 120.5° |
| C3 | C2 | C1 | 119.8° | 119.8° |
| C2 | C3 | H31 | 120.4° | 120.1° |
| C6 | C7 | C2 | 117.4° | 120.7° |
| C7 | C6 | H61 | 120.7° | 120.1° |
| C6 | C7 | H71 | 121.3° | 119.7° |
| C7 | C2 | C1 | 117.3° | 119.7° |
| C2 | C7 | H71 | 121.3° | 119.6° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.4° | 109.4° |
| H2 | N | H | 109.5° | 111.0° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H13 | C1 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | C10 | 101.6° | 100.0° |
| O | C | CA | OXT | 178.5° | 180.0° |
| O | C | CA | N | 21.2° | 20.0° |
| O | C | CA | HA | 139.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C9 | C10 | CA | H102 | 120.6° | 120.0° |
| C9 | C10 | CA | H101 | 120.6° | 120.0° |
| C10 | C9 | C8 | C4 | 179.2° | 179.8° |
| C10 | C9 | C8 | N1 | 179.3° | 180.0° |
| C9 | C10 | CA | C | 84.1° | 175.0° |
| C9 | C10 | CA | N | 155.0° | 65.0° |
| C10 | C9 | C4 | C5 | 179.7° | 179.8° |
| C10 | C9 | C4 | C3 | 3.3° | 0.0° |
| C9 | C10 | CA | HA | 34.7° | 55.0° |
| C10 | C9 | C8 | H81 | 0.8° | 0.1° |
| C9 | C10 | H102 | H101 | 118.1° | 119.9° |
| CA | C10 | C9 | C8 | 98.5° | 95.0° |
| CA | C10 | C9 | C4 | 80.6° | 85.2° |
| C10 | CA | C | N | 122.9° | 120.0° |
| C10 | CA | C | HA | 118.7° | 120.0° |
| C10 | CA | C | OXT | 79.9° | 80.0° |
| C10 | CA | N | HA | 119.7° | 120.0° |
| CA | C10 | H102 | H101 | 118.1° | 120.1° |
| C10 | CA | N | H2 | 180.0° | 60.0° |
| C10 | CA | N | H | 60.0° | 64.0° |
| C9 | C8 | N1 | H81 | 180.0° | 179.9° |
| C9 | C8 | N1 | C5 | 1.0° | 0.3° |
| C8 | C9 | C4 | C5 | 1.1° | 0.0° |
| C8 | C9 | C4 | C3 | 177.5° | 179.8° |
| C8 | C9 | C10 | H102 | 22.1° | 145.0° |
| C8 | C9 | C10 | H101 | 140.9° | 25.0° |
| C9 | C8 | N1 | H1 | 179.0° | 179.9° |
| N1 | C8 | C9 | C4 | 0.1° | 0.2° |
| C8 | N1 | C5 | H1 | 180.0° | 179.7° |
| C8 | N1 | C5 | C4 | 1.6° | 0.3° |
| C8 | N1 | C5 | C6 | 178.7° | 179.6° |
| C9 | C4 | C5 | N1 | 1.6° | 0.2° |
| C9 | C4 | C5 | C3 | 177.2° | 179.8° |
| C9 | C4 | C5 | C6 | 179.0° | 179.8° |
| C9 | C4 | C3 | C2 | 177.4° | 179.7° |
| C4 | C9 | C8 | H81 | 180.0° | 179.9° |
| C4 | C9 | C10 | H102 | 158.7° | 34.8° |
| C4 | C9 | C10 | H101 | 40.0° | 154.7° |
| C9 | C4 | C3 | H31 | 2.6° | 0.3° |
| C | CA | N | HA | 117.9° | 120.0° |
| C | CA | C10 | H102 | 36.5° | 65.0° |
| C | CA | C10 | H101 | 155.3° | 55.0° |
| C | CA | N | H2 | 57.6° | 60.0° |
| C | CA | N | H | 62.4° | 176.0° |
| CA | C | OXT | HXT | 178.5° | 180.0° |
| OXT | C | CA | N | 157.3° | 160.0° |
| OXT | C | CA | HA | 38.9° | 40.0° |
| N | CA | C10 | H102 | 84.4° | 55.0° |
| N | CA | C10 | H101 | 34.4° | 175.0° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N1 | C5 | C4 | C6 | 177.4° | 179.9° |
| N1 | C5 | C4 | C3 | 178.8° | 180.0° |
| N1 | C5 | C6 | C7 | 174.9° | 179.9° |
| N1 | C5 | C6 | H61 | 5.1° | 0.0° |
| C5 | N1 | C8 | H81 | 179.0° | 179.8° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C4 | C5 | C6 | C7 | 8.4° | 0.0° |
| C4 | C5 | C6 | H61 | 171.6° | 179.9° |
| C4 | C5 | N1 | H1 | 178.3° | 180.0° |
| C5 | C4 | C3 | H31 | 178.5° | 180.0° |
| C3 | C4 | C5 | C6 | 3.8° | 0.0° |
| C4 | C3 | C2 | H31 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 4.1° | 0.0° |
| C4 | C3 | C2 | C1 | 173.5° | 180.0° |
| C5 | C6 | C7 | H61 | 180.0° | 179.9° |
| C5 | C6 | C7 | C2 | 10.5° | 0.1° |
| C5 | C6 | C7 | H71 | 169.5° | 180.0° |
| C6 | C5 | N1 | H1 | 1.3° | 0.1° |
| C3 | C2 | C7 | C6 | 8.6° | 0.0° |
| C3 | C2 | C7 | C1 | 169.6° | 179.9° |
| C3 | C2 | C7 | H71 | 171.3° | 180.0° |
| C3 | C2 | C1 | H11 | 84.7° | 90.0° |
| C3 | C2 | C1 | H13 | 155.3° | 150.0° |
| C3 | C2 | C1 | H12 | 35.3° | 29.9° |
| C6 | C7 | C2 | H71 | 180.0° | 179.9° |
| C6 | C7 | C2 | C1 | 178.3° | 179.9° |
| C2 | C7 | C6 | H61 | 169.5° | 179.9° |
| C7 | C2 | C3 | H31 | 175.9° | 180.0° |
| C7 | C2 | C1 | H11 | 85.2° | 90.0° |
| C7 | C2 | C1 | H13 | 34.8° | 30.0° |
| C7 | C2 | C1 | H12 | 154.8° | 150.0° |
| C1 | C2 | C7 | H71 | 1.7° | 0.0° |
| C1 | C2 | C3 | H31 | 6.5° | 0.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 119.9° |
| C2 | C1 | H13 | H12 | 120.0° | 120.0° |
| H61 | C6 | C7 | H71 | 10.5° | 0.1° |
| HA | CA | C10 | H102 | 155.3° | 175.0° |
| HA | CA | C10 | H101 | 85.9° | 65.0° |
| HA | CA | N | H2 | 60.3° | 180.0° |
| HA | CA | N | H | 179.7° | 56.0° |
| H81 | C8 | N1 | H1 | 1.1° | 0.1° |
| H11 | C1 | H13 | H12 | 120.0° | 120.0° |
