H2B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.34Å | 1.34Å | |
| N1 | C8A | doub | 1.31Å | 1.33Å | |
| C2 | N2 | sing | 1.37Å | 1.33Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | |
| N2 | H22 | sing | 0.97Å | 1.02Å | |
| N2 | H21 | sing | 0.97Å | 1.02Å | |
| N3 | C4 | sing | 1.34Å | 1.33Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C4 | C4A | sing | 1.49Å | 1.41Å | |
| C4A | C8A | sing | 1.49Å | 1.42Å | |
| C4A | N5 | doub | 1.28Å | 1.33Å | |
| C8A | N8 | sing | 1.37Å | 1.34Å | |
| N5 | C6 | sing | 1.46Å | 1.45Å | |
| N8 | C7 | sing | 1.47Å | 1.39Å | |
| N8 | H8 | sing | 0.97Å | 1.02Å | |
| C6 | C7 | sing | 1.53Å | 1.46Å | |
| C6 | C9 | sing | 1.53Å | 1.52Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C9 | O9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H9 | sing | 1.09Å | 1.12Å | |
| O9 | H9O1 | sing | 0.97Å | 0.95Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | O10 | sing | 1.43Å | 1.43Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| O10 | H1O1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C8A | 120.9° | 121.3° |
| N1 | C2 | N2 | 119.4° | 117.7° |
| N1 | C2 | N3 | 121.4° | 124.7° |
| N1 | C8A | C4A | 119.7° | 118.6° |
| N1 | C8A | N8 | 119.9° | 123.2° |
| N2 | C2 | N3 | 119.1° | 117.7° |
| C2 | N2 | H22 | 119.4° | 120.0° |
| C2 | N2 | H21 | 108.6° | 120.0° |
| C2 | N3 | C4 | 121.1° | 121.9° |
| H22 | N2 | H21 | 108.6° | 119.9° |
| N3 | C4 | O4 | 122.3° | 121.5° |
| N3 | C4 | C4A | 119.6° | 116.9° |
| O4 | C4 | C4A | 118.1° | 121.5° |
| C4 | C4A | C8A | 117.2° | 116.6° |
| C4 | C4A | N5 | 121.4° | 122.6° |
| C8A | C4A | N5 | 121.4° | 120.8° |
| C4A | C8A | N8 | 120.4° | 118.2° |
| C4A | N5 | C6 | 119.0° | 122.0° |
| C8A | N8 | C7 | 121.7° | 116.3° |
| C8A | N8 | H8 | 107.8° | 121.9° |
| N5 | C6 | C7 | 117.3° | 110.7° |
| N5 | C6 | C9 | 113.4° | 109.3° |
| N5 | C6 | H6 | 113.4° | 109.2° |
| C7 | N8 | H8 | 107.9° | 121.8° |
| N8 | C7 | C6 | 117.1° | 108.7° |
| N8 | C7 | H71 | 109.5° | 109.6° |
| N8 | C7 | H72 | 109.5° | 109.6° |
| C7 | C6 | C9 | 125.3° | 109.3° |
| C7 | C6 | H6 | 84.3° | 109.2° |
| C6 | C7 | H71 | 109.4° | 109.6° |
| C6 | C7 | H72 | 109.4° | 109.6° |
| C9 | C6 | H6 | 93.9° | 109.2° |
| C6 | C9 | O9 | 109.2° | 109.5° |
| C6 | C9 | C10 | 111.6° | 109.5° |
| C6 | C9 | H9 | 108.1° | 109.4° |
| H71 | C7 | H72 | 100.8° | 109.7° |
| O9 | C9 | C10 | 109.3° | 109.5° |
| O9 | C9 | H9 | 110.5° | 109.5° |
| C9 | O9 | H9O1 | 109.2° | 106.8° |
| C10 | C9 | H9 | 108.1° | 109.4° |
| C9 | C10 | C11 | 110.8° | 109.5° |
| C9 | C10 | O10 | 109.7° | 109.5° |
| C9 | C10 | H10 | 108.6° | 109.4° |
| C11 | C10 | O10 | 109.9° | 109.5° |
| C11 | C10 | H10 | 108.4° | 109.4° |
| C10 | C11 | H113 | 110.8° | 109.5° |
| C10 | C11 | H112 | 111.7° | 109.4° |
| C10 | C11 | H111 | 111.8° | 109.5° |
| O10 | C10 | H10 | 109.5° | 109.5° |
| C10 | O10 | H1O1 | 109.7° | 106.9° |
| H113 | C11 | H112 | 111.7° | 109.4° |
| H113 | C11 | H111 | 111.8° | 109.6° |
| H112 | C11 | H111 | 98.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N2 | N3 | 178.9° | 180.0° |
| N1 | C2 | N2 | H22 | 180.0° | 180.0° |
| N1 | C2 | N2 | H21 | 54.8° | 0.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.9° |
| C2 | N1 | C8A | C4A | 0.4° | 1.1° |
| C2 | N1 | C8A | N8 | 179.0° | 178.7° |
| C8A | N1 | C2 | N2 | 179.8° | 179.6° |
| C8A | N1 | C2 | N3 | 1.4° | 0.4° |
| N1 | C8A | C4A | C4 | 2.0° | 2.0° |
| N1 | C8A | C4A | N8 | 179.4° | 179.8° |
| N1 | C8A | C4A | N5 | 177.5° | 178.3° |
| N1 | C8A | N8 | C7 | 178.1° | 155.3° |
| N1 | C8A | N8 | H8 | 56.6° | 24.8° |
| C2 | N2 | H22 | H21 | 125.3° | 179.9° |
| N2 | C2 | N3 | C4 | 178.6° | 179.1° |
| N3 | C2 | N2 | H22 | 1.2° | 0.0° |
| N3 | C2 | N2 | H21 | 124.1° | 180.0° |
| C2 | N3 | C4 | O4 | 177.8° | 179.7° |
| C2 | N3 | C4 | C4A | 2.7° | 0.2° |
| N3 | C4 | O4 | C4A | 179.6° | 179.9° |
| N3 | C4 | C4A | C8A | 3.5° | 1.5° |
| N3 | C4 | C4A | N5 | 176.0° | 178.8° |
| O4 | C4 | C4A | C8A | 176.9° | 178.4° |
| O4 | C4 | C4A | N5 | 3.6° | 1.4° |
| C4 | C4A | C8A | N5 | 179.4° | 179.7° |
| C4 | C4A | C8A | N8 | 178.6° | 177.8° |
| C4 | C4A | N5 | C6 | 173.6° | 178.2° |
| C8A | C4A | N5 | C6 | 5.8° | 2.0° |
| C4A | C8A | N8 | C7 | 2.5° | 24.5° |
| C4A | C8A | N8 | H8 | 122.8° | 155.5° |
| N5 | C4A | C8A | N8 | 2.0° | 1.9° |
| C4A | N5 | C6 | C7 | 17.2° | 29.8° |
| C4A | N5 | C6 | C9 | 175.8° | 150.1° |
| C4A | N5 | C6 | H6 | 78.7° | 90.5° |
| C8A | N8 | C7 | H8 | 125.2° | 179.9° |
| C8A | N8 | C7 | C6 | 14.0° | 50.8° |
| C8A | N8 | C7 | H71 | 111.3° | 170.6° |
| C8A | N8 | C7 | H72 | 139.2° | 68.9° |
| N5 | C6 | C7 | N8 | 20.9° | 51.9° |
| N5 | C6 | C7 | C9 | 155.8° | 120.4° |
| N5 | C6 | C7 | H6 | 113.4° | 120.2° |
| N5 | C6 | C9 | H6 | 117.6° | 119.4° |
| N5 | C6 | C7 | H71 | 104.3° | 171.7° |
| N5 | C6 | C7 | H72 | 146.2° | 67.8° |
| N5 | C6 | C9 | O9 | 76.3° | 179.4° |
| N5 | C6 | C9 | C10 | 162.8° | 59.4° |
| N5 | C6 | C9 | H9 | 44.0° | 60.6° |
| N8 | C7 | C6 | H71 | 125.3° | 119.8° |
| N8 | C7 | C6 | H72 | 125.2° | 119.7° |
| N8 | C7 | C6 | C9 | 176.7° | 172.2° |
| N8 | C7 | C6 | H6 | 92.5° | 68.4° |
| N8 | C7 | H71 | H72 | 115.3° | 120.4° |
| H8 | N8 | C7 | C6 | 111.3° | 129.1° |
| H8 | N8 | C7 | H71 | 123.5° | 9.3° |
| H8 | N8 | C7 | H72 | 13.9° | 111.2° |
| C7 | C6 | C9 | H6 | 85.8° | 119.4° |
| C6 | C7 | H71 | H72 | 115.2° | 120.4° |
| C7 | C6 | C9 | O9 | 80.3° | 59.3° |
| C7 | C6 | C9 | C10 | 40.6° | 179.4° |
| C7 | C6 | C9 | H9 | 159.4° | 60.6° |
| C9 | C6 | C7 | H71 | 51.5° | 68.0° |
| C9 | C6 | C7 | H72 | 58.0° | 52.5° |
| C6 | C9 | O9 | C10 | 122.3° | 120.1° |
| C6 | C9 | O9 | H9 | 118.8° | 120.0° |
| C6 | C9 | C10 | H9 | 118.8° | 120.0° |
| C6 | C9 | O9 | H9O1 | 179.9° | 60.1° |
| C6 | C9 | C10 | C11 | 179.2° | 180.0° |
| C6 | C9 | C10 | O10 | 57.7° | 60.0° |
| C6 | C9 | C10 | H10 | 61.9° | 60.0° |
| H6 | C6 | C7 | H71 | 142.3° | 51.4° |
| H6 | C6 | C7 | H72 | 32.8° | 171.9° |
| H6 | C6 | C9 | O9 | 166.2° | 60.1° |
| H6 | C6 | C9 | C10 | 45.2° | 60.0° |
| H6 | C6 | C9 | H9 | 73.5° | 180.0° |
| O9 | C9 | C10 | H9 | 120.3° | 120.0° |
| O9 | C9 | C10 | C11 | 59.9° | 59.9° |
| O9 | C9 | C10 | O10 | 178.6° | 180.0° |
| O9 | C9 | C10 | H10 | 59.0° | 60.0° |
| C10 | C9 | O9 | H9O1 | 57.7° | 60.0° |
| C9 | C10 | C11 | O10 | 121.4° | 120.1° |
| C9 | C10 | C11 | H10 | 119.0° | 119.9° |
| C9 | C10 | O10 | H10 | 119.1° | 120.0° |
| C9 | C10 | C11 | H113 | 180.0° | 180.0° |
| C9 | C10 | C11 | H112 | 54.7° | 60.1° |
| C9 | C10 | C11 | H111 | 54.7° | 59.9° |
| C9 | C10 | O10 | H1O1 | 180.0° | 60.0° |
| H9 | C9 | O9 | H9O1 | 61.1° | 180.0° |
| H9 | C9 | C10 | C11 | 60.4° | 60.1° |
| H9 | C9 | C10 | O10 | 61.1° | 60.0° |
| H9 | C9 | C10 | H10 | 179.3° | 180.0° |
| C11 | C10 | O10 | H10 | 118.9° | 120.0° |
| C10 | C11 | H113 | H112 | 125.3° | 119.9° |
| C10 | C11 | H113 | H111 | 125.4° | 120.1° |
| C10 | C11 | H112 | H111 | 117.6° | 120.0° |
| C11 | C10 | O10 | H1O1 | 58.0° | 60.1° |
| O10 | C10 | C11 | H113 | 58.6° | 59.9° |
| O10 | C10 | C11 | H112 | 66.7° | 60.0° |
| O10 | C10 | C11 | H111 | 176.1° | 179.9° |
| H10 | C10 | C11 | H113 | 61.0° | 60.1° |
| H10 | C10 | C11 | H112 | 173.7° | 180.0° |
| H10 | C10 | C11 | H111 | 64.4° | 60.1° |
| H10 | C10 | O10 | H1O1 | 61.0° | 180.0° |
| H113 | C11 | H112 | H111 | 117.6° | 120.1° |
