OJP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | CB | sing | 1.37Å | 1.38Å | Aromatic |
| N9 | C1 | sing | 1.35Å | 1.34Å | Aromatic |
| CB | CA | doub | 1.35Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C1 | C5 | sing | 1.51Å | 1.49Å | |
| C1 | N | doub | 1.31Å | 1.34Å | Aromatic |
| CA | N | sing | 1.34Å | 1.39Å | Aromatic |
| CA | C | sing | 1.51Å | 1.47Å | |
| O | C | sing | 1.43Å | 1.43Å | |
| N10 | C8 | sing | 1.46Å | 1.44Å | |
| N10 | C4 | sing | 1.35Å | 1.38Å | |
| C3 | C4 | sing | 1.47Å | 1.47Å | |
| C3 | C2 | doub | 1.33Å | 1.33Å | |
| C4 | O11 | doub | 1.22Å | 1.21Å | |
| CB | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| N9 | H15 | sing | 0.97Å | 1.00Å | |
| N10 | H17 | sing | 0.97Å | 1.00Å | |
| O | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CB | N9 | C1 | 108.7° | 107.2° |
| N9 | CB | CA | 108.9° | 106.8° |
| N9 | CB | H1 | 125.6° | 126.6° |
| CB | N9 | H15 | 125.7° | 126.4° |
| N9 | C1 | C5 | 127.8° | 125.6° |
| N9 | C1 | N | 107.1° | 108.7° |
| C1 | N9 | H15 | 125.6° | 126.4° |
| CB | CA | N | 103.2° | 108.0° |
| CB | CA | C | 131.7° | 126.0° |
| CA | CB | H1 | 125.6° | 126.6° |
| C7 | C6 | C5 | 112.8° | 109.5° |
| C6 | C7 | C8 | 115.1° | 109.5° |
| C7 | C6 | H9 | 108.6° | 109.5° |
| C7 | C6 | H10 | 108.7° | 109.4° |
| C6 | C7 | H11 | 108.1° | 109.5° |
| C6 | C7 | H12 | 108.0° | 109.4° |
| C6 | C5 | C1 | 114.9° | 109.5° |
| C6 | C5 | H7 | 108.1° | 109.5° |
| C6 | C5 | H8 | 108.1° | 109.5° |
| C5 | C6 | H9 | 108.7° | 109.5° |
| C5 | C6 | H10 | 108.6° | 109.4° |
| C7 | C8 | N10 | 113.7° | 109.5° |
| C8 | C7 | H11 | 108.1° | 109.5° |
| C8 | C7 | H12 | 108.0° | 109.5° |
| C7 | C8 | H13 | 108.4° | 109.5° |
| C7 | C8 | H14 | 108.4° | 109.5° |
| C5 | C1 | N | 125.1° | 125.7° |
| C1 | C5 | H7 | 108.1° | 109.5° |
| C1 | C5 | H8 | 108.1° | 109.5° |
| C1 | N | CA | 112.1° | 109.3° |
| N | CA | C | 125.2° | 126.0° |
| CA | C | O | 111.0° | 109.5° |
| CA | C | H5 | 109.1° | 109.4° |
| CA | C | H6 | 109.1° | 109.5° |
| O | C | H5 | 109.1° | 109.5° |
| O | C | H6 | 109.1° | 109.5° |
| C | O | H18 | 109.5° | 114.0° |
| C8 | N10 | C4 | 120.9° | 120.0° |
| N10 | C8 | H13 | 108.4° | 109.4° |
| N10 | C8 | H14 | 108.4° | 109.5° |
| C8 | N10 | H17 | 119.6° | 120.0° |
| N10 | C4 | C3 | 114.1° | 120.0° |
| N10 | C4 | O11 | 123.8° | 120.0° |
| C4 | N10 | H17 | 119.6° | 120.0° |
| C4 | C3 | C2 | 115.2° | 120.0° |
| C3 | C4 | O11 | 122.1° | 120.0° |
| C4 | C3 | H4 | 122.4° | 120.1° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C3 | C2 | H3 | 120.0° | 120.0° |
| C2 | C3 | H4 | 122.4° | 119.9° |
| H2 | C2 | H3 | 120.0° | 120.0° |
| H5 | C | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.4° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C7 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CB | N9 | C1 | H15 | 180.0° | 180.0° |
| N9 | CB | CA | H1 | 180.0° | 179.7° |
| CB | N9 | C1 | C5 | 179.7° | 179.9° |
| CB | N9 | C1 | N | 0.4° | 0.2° |
| N9 | CB | CA | N | 1.0° | 0.3° |
| N9 | CB | CA | C | 178.8° | 179.8° |
| C1 | N9 | CB | CA | 0.9° | 0.0° |
| N9 | C1 | C5 | C6 | 38.6° | 124.6° |
| N9 | C1 | C5 | N | 179.3° | 179.6° |
| N9 | C1 | N | CA | 0.3° | 0.4° |
| C1 | N9 | CB | H1 | 179.1° | 179.7° |
| N9 | C1 | C5 | H7 | 82.2° | 115.4° |
| N9 | C1 | C5 | H8 | 159.4° | 4.6° |
| CB | CA | N | C1 | 0.8° | 0.4° |
| CB | CA | N | C | 179.9° | 179.9° |
| CB | CA | C | O | 7.9° | 0.1° |
| CB | CA | C | H5 | 112.3° | 120.0° |
| CB | CA | C | H6 | 128.1° | 120.0° |
| CA | CB | N9 | H15 | 179.1° | 180.0° |
| C7 | C6 | C5 | H9 | 120.5° | 120.0° |
| C7 | C6 | C5 | H10 | 120.5° | 120.0° |
| C6 | C7 | C8 | H11 | 120.8° | 120.0° |
| C6 | C7 | C8 | H12 | 120.8° | 119.9° |
| C7 | C6 | C5 | C1 | 179.4° | 180.0° |
| C6 | C7 | C8 | N10 | 64.7° | 180.0° |
| C7 | C6 | C5 | H7 | 59.8° | 60.0° |
| C7 | C6 | C5 | H8 | 58.6° | 60.0° |
| C7 | C6 | H9 | H10 | 118.5° | 120.0° |
| C6 | C7 | H11 | H12 | 117.5° | 119.9° |
| C6 | C7 | C8 | H13 | 56.0° | 60.0° |
| C6 | C7 | C8 | H14 | 174.7° | 60.0° |
| C5 | C6 | C7 | C8 | 69.0° | 180.0° |
| C6 | C5 | C1 | H7 | 120.8° | 120.0° |
| C6 | C5 | C1 | H8 | 120.8° | 120.0° |
| C6 | C5 | C1 | N | 142.1° | 55.0° |
| C6 | C5 | H7 | H8 | 117.5° | 120.0° |
| C5 | C6 | H9 | H10 | 118.5° | 120.0° |
| C5 | C6 | C7 | H11 | 51.8° | 60.0° |
| C5 | C6 | C7 | H12 | 170.2° | 60.0° |
| C7 | C8 | N10 | H13 | 120.6° | 119.9° |
| C7 | C8 | N10 | H14 | 120.6° | 120.0° |
| C7 | C8 | N10 | C4 | 119.3° | 180.0° |
| C8 | C7 | C6 | H9 | 51.5° | 60.0° |
| C8 | C7 | C6 | H10 | 170.5° | 60.0° |
| C8 | C7 | H11 | H12 | 117.4° | 120.1° |
| C7 | C8 | H13 | H14 | 118.1° | 120.0° |
| C7 | C8 | N10 | H17 | 60.7° | 0.0° |
| C5 | C1 | N | CA | 179.1° | 179.9° |
| C1 | C5 | H7 | H8 | 117.5° | 120.0° |
| C1 | C5 | C6 | H9 | 58.9° | 60.0° |
| C1 | C5 | C6 | H10 | 60.1° | 60.0° |
| C5 | C1 | N9 | H15 | 0.3° | 0.1° |
| C1 | N | CA | C | 179.0° | 179.6° |
| N | C1 | C5 | H7 | 97.1° | 65.0° |
| N | C1 | C5 | H8 | 21.3° | 175.1° |
| N | C1 | N9 | H15 | 179.7° | 179.8° |
| N | CA | C | O | 172.3° | 180.0° |
| N | CA | CB | H1 | 179.0° | 180.0° |
| N | CA | C | H5 | 67.5° | 60.0° |
| N | CA | C | H6 | 52.1° | 60.0° |
| CA | C | O | H5 | 120.2° | 120.0° |
| CA | C | O | H6 | 120.2° | 120.0° |
| C | CA | CB | H1 | 1.1° | 0.1° |
| CA | C | H5 | H6 | 119.3° | 120.0° |
| CA | C | O | H18 | 180.0° | 180.0° |
| O | C | H5 | H6 | 119.3° | 120.0° |
| C8 | N10 | C4 | H17 | 180.0° | 180.0° |
| C8 | N10 | C4 | C3 | 177.2° | 180.0° |
| C8 | N10 | C4 | O11 | 3.5° | 0.1° |
| N10 | C8 | C7 | H11 | 174.5° | 60.0° |
| N10 | C8 | C7 | H12 | 56.1° | 60.0° |
| N10 | C8 | H13 | H14 | 118.1° | 120.0° |
| N10 | C4 | C3 | O11 | 179.3° | 179.9° |
| N10 | C4 | C3 | C2 | 138.3° | 180.0° |
| N10 | C4 | C3 | H4 | 41.7° | 0.0° |
| C4 | N10 | C8 | H13 | 1.3° | 60.1° |
| C4 | N10 | C8 | H14 | 120.1° | 60.0° |
| C4 | C3 | C2 | H4 | 180.0° | 180.0° |
| C4 | C3 | C2 | H2 | 0.0° | 0.0° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C3 | C4 | N10 | H17 | 2.8° | 0.0° |
| C2 | C3 | C4 | O11 | 42.4° | 0.1° |
| C3 | C2 | H2 | H3 | 180.0° | 179.9° |
| O11 | C4 | C3 | H4 | 137.6° | 180.0° |
| O11 | C4 | N10 | H17 | 176.4° | 179.9° |
| H1 | CB | N9 | H15 | 0.8° | 0.3° |
| H2 | C2 | C3 | H4 | 180.0° | 180.0° |
| H3 | C2 | C3 | H4 | 0.0° | 0.0° |
| H5 | C | O | H18 | 59.8° | 60.0° |
| H6 | C | O | H18 | 59.8° | 60.0° |
| H7 | C5 | C6 | H9 | 179.7° | 180.0° |
| H7 | C5 | C6 | H10 | 60.7° | 60.0° |
| H8 | C5 | C6 | H9 | 61.9° | 60.1° |
| H8 | C5 | C6 | H10 | 179.1° | 180.0° |
| H9 | C6 | C7 | H11 | 172.3° | 180.0° |
| H9 | C6 | C7 | H12 | 69.3° | 60.0° |
| H10 | C6 | C7 | H11 | 68.7° | 60.0° |
| H10 | C6 | C7 | H12 | 49.7° | 180.0° |
| H11 | C7 | C8 | H13 | 64.9° | 179.9° |
| H11 | C7 | C8 | H14 | 53.8° | 60.0° |
| H12 | C7 | C8 | H13 | 176.8° | 59.9° |
| H12 | C7 | C8 | H14 | 64.5° | 179.9° |
| H13 | C8 | N10 | H17 | 178.7° | 119.9° |
| H14 | C8 | N10 | H17 | 59.9° | 120.0° |
