B60
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| C1 | N3 | sing | 1.35Å | 1.36Å | |
| C4 | C1 | sing | 1.41Å | 1.48Å | |
| C7 | C4 | doub | 1.40Å | 1.48Å | |
| C7 | N6 | sing | 1.33Å | 1.37Å | |
| N6 | C5 | doub | 1.32Å | 1.35Å | |
| C5 | N3 | sing | 1.36Å | 1.33Å | |
| C5 | N8 | sing | 1.37Å | 1.36Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| N8 | HN8A | sing | 0.97Å | 1.00Å | |
| N9 | C4 | sing | 1.36Å | 1.35Å | |
| C10 | N9 | doub | 1.29Å | 1.35Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.51Å | 1.47Å | |
| C11 | N12 | sing | 1.47Å | 1.47Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| N12 | C7 | sing | 1.38Å | 1.41Å | |
| C13 | N12 | sing | 1.47Å | 1.47Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | N3 | 119.9° | 120.8° |
| O2 | C1 | C4 | 120.4° | 120.8° |
| N3 | C1 | C4 | 119.7° | 118.3° |
| C1 | N3 | C5 | 123.5° | 120.5° |
| C1 | N3 | H8 | 118.3° | 119.7° |
| C1 | C4 | C7 | 114.6° | 118.5° |
| C1 | C4 | N9 | 125.4° | 121.5° |
| C4 | C7 | N6 | 118.9° | 120.0° |
| C7 | C4 | N9 | 120.0° | 120.0° |
| C4 | C7 | N12 | 120.0° | 118.2° |
| C7 | N6 | C5 | 123.4° | 120.9° |
| N6 | C7 | N12 | 121.0° | 121.8° |
| N6 | C5 | N3 | 119.8° | 121.8° |
| N6 | C5 | N8 | 119.4° | 119.1° |
| N3 | C5 | N8 | 120.7° | 119.1° |
| C5 | N3 | H8 | 118.2° | 119.8° |
| C5 | N8 | HN8 | 110.3° | 120.0° |
| C5 | N8 | HN8A | 124.9° | 120.0° |
| HN8 | N8 | HN8A | 124.9° | 120.0° |
| C4 | N9 | C10 | 120.2° | 121.5° |
| N9 | C10 | H10 | 117.1° | 119.3° |
| N9 | C10 | C11 | 125.8° | 121.4° |
| H10 | C10 | C11 | 117.1° | 119.3° |
| C10 | C11 | N12 | 113.4° | 109.0° |
| C10 | C11 | H11 | 108.2° | 109.5° |
| C10 | C11 | H9 | 107.3° | 109.6° |
| N12 | C11 | H11 | 108.2° | 109.5° |
| C11 | N12 | C7 | 120.5° | 117.3° |
| C11 | N12 | C13 | 122.3° | 121.4° |
| N12 | C11 | H9 | 107.3° | 109.6° |
| H11 | C11 | H9 | 112.6° | 109.6° |
| C7 | N12 | C13 | 117.2° | 121.4° |
| N12 | C13 | H13 | 109.5° | 109.5° |
| N12 | C13 | H13A | 109.5° | 109.5° |
| N12 | C13 | H13B | 109.5° | 109.4° |
| H13 | C13 | H13A | 109.4° | 109.5° |
| H13 | C13 | H13B | 109.5° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | N3 | C4 | 179.6° | 179.7° |
| O2 | C1 | C4 | C7 | 178.5° | 179.7° |
| O2 | C1 | N3 | C5 | 177.4° | 179.8° |
| O2 | C1 | C4 | N9 | 2.7° | 0.6° |
| O2 | C1 | N3 | H8 | 2.5° | 0.0° |
| N3 | C1 | C4 | C7 | 1.9° | 0.6° |
| C1 | N3 | C5 | N6 | 3.0° | 0.3° |
| C1 | N3 | C5 | H8 | 180.0° | 179.8° |
| C1 | N3 | C5 | N8 | 177.4° | 180.0° |
| N3 | C1 | C4 | N9 | 176.9° | 179.1° |
| C1 | C4 | C7 | N9 | 178.9° | 179.7° |
| C1 | C4 | C7 | N6 | 1.1° | 0.5° |
| C4 | C1 | N3 | C5 | 3.0° | 0.5° |
| C1 | C4 | N9 | C10 | 178.6° | 164.8° |
| C1 | C4 | C7 | N12 | 179.5° | 179.1° |
| C4 | C1 | N3 | H8 | 177.1° | 179.7° |
| C4 | C7 | N6 | N12 | 178.4° | 179.6° |
| C4 | C7 | N6 | C5 | 1.2° | 0.4° |
| C7 | C4 | N9 | C10 | 2.7° | 15.5° |
| C4 | C7 | N12 | C11 | 1.2° | 28.2° |
| C4 | C7 | N12 | C13 | 179.7° | 151.8° |
| C7 | N6 | C5 | N3 | 2.1° | 0.3° |
| C7 | N6 | C5 | N8 | 178.3° | 180.0° |
| N6 | C7 | C4 | N9 | 177.8° | 179.2° |
| N6 | C7 | N12 | C11 | 179.5° | 151.5° |
| N6 | C7 | N12 | C13 | 1.9° | 28.6° |
| N6 | C5 | N3 | N8 | 179.5° | 179.7° |
| N6 | C5 | N8 | HN8 | 0.2° | 0.1° |
| N6 | C5 | N8 | HN8A | 179.8° | 180.0° |
| C5 | N6 | C7 | N12 | 179.6° | 179.2° |
| N6 | C5 | N3 | H8 | 177.0° | 179.9° |
| N3 | C5 | N8 | HN8 | 179.7° | 179.8° |
| N3 | C5 | N8 | HN8A | 0.2° | 0.3° |
| C5 | N8 | HN8 | HN8A | 180.0° | 180.0° |
| N8 | C5 | N3 | H8 | 2.6° | 0.2° |
| C4 | N9 | C10 | H10 | 176.9° | 179.3° |
| C4 | N9 | C10 | C11 | 3.1° | 0.7° |
| N9 | C4 | C7 | N12 | 0.6° | 1.2° |
| N9 | C10 | H10 | C11 | 180.0° | 179.9° |
| N9 | C10 | C11 | N12 | 1.3° | 27.5° |
| N9 | C10 | C11 | H11 | 121.3° | 92.3° |
| N9 | C10 | C11 | H9 | 117.0° | 147.4° |
| H10 | C10 | C11 | N12 | 178.7° | 152.5° |
| H10 | C10 | C11 | H11 | 58.7° | 87.6° |
| H10 | C10 | C11 | H9 | 63.0° | 32.7° |
| C10 | C11 | N12 | H11 | 120.0° | 119.8° |
| C10 | C11 | N12 | H9 | 118.3° | 119.9° |
| C10 | C11 | H11 | H9 | 118.4° | 120.3° |
| C10 | C11 | N12 | C7 | 0.9° | 40.3° |
| C10 | C11 | N12 | C13 | 179.4° | 139.6° |
| N12 | C11 | H11 | H9 | 118.4° | 120.2° |
| C11 | N12 | C7 | C13 | 178.6° | 180.0° |
| C11 | N12 | C13 | H13 | 143.9° | 0.0° |
| C11 | N12 | C13 | H13A | 23.9° | 120.0° |
| C11 | N12 | C13 | H13B | 96.2° | 120.0° |
| H11 | C11 | N12 | C7 | 119.1° | 79.5° |
| H11 | C11 | N12 | C13 | 59.4° | 100.6° |
| C7 | N12 | C13 | H13 | 34.7° | 180.0° |
| C7 | N12 | C13 | H13A | 154.7° | 60.0° |
| C7 | N12 | C13 | H13B | 85.3° | 60.0° |
| C7 | N12 | C11 | H9 | 119.1° | 160.2° |
| N12 | C13 | H13 | H13A | 120.0° | 120.0° |
| N12 | C13 | H13 | H13B | 120.0° | 120.0° |
| N12 | C13 | H13A | H13B | 120.0° | 119.9° |
| C13 | N12 | C11 | H9 | 62.4° | 19.7° |
| H13 | C13 | H13A | H13B | 120.0° | 120.1° |
