A1B7N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.23Å | |
| C | N | sing | 1.35Å | 1.38Å | |
| N | C1 | sing | 1.34Å | 1.38Å | |
| N1 | C1 | sing | 1.33Å | 1.36Å | |
| C2 | N1 | doub | 1.32Å | 1.32Å | |
| C2 | N2 | sing | 1.36Å | 1.37Å | |
| C3 | N2 | sing | 1.46Å | 1.47Å | |
| C4 | C3 | sing | 1.51Å | 1.55Å | |
| O1 | C4 | doub | 1.21Å | 1.20Å | |
| N2 | C5 | sing | 1.38Å | 1.41Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C9 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C11 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C12 | N3 | sing | 1.34Å | 1.39Å | |
| N3 | C13 | doub | 1.31Å | 1.30Å | |
| C13 | C2 | sing | 1.47Å | 1.45Å | |
| C | C13 | sing | 1.48Å | 1.44Å | |
| C1 | O2 | doub | 1.22Å | 1.24Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 120.3° | 121.4° |
| O | C | C13 | 125.7° | 121.4° |
| C | N | C1 | 126.0° | 121.3° |
| N | C | C13 | 114.0° | 117.2° |
| C | N | H | 117.0° | 119.4° |
| N | C1 | N1 | 119.8° | 124.0° |
| N | C1 | O2 | 118.7° | 118.0° |
| C1 | N | H | 117.0° | 119.3° |
| C1 | N1 | C2 | 117.9° | 121.6° |
| N1 | C1 | O2 | 121.5° | 118.0° |
| N1 | C2 | N2 | 118.6° | 122.2° |
| N1 | C2 | C13 | 124.9° | 118.7° |
| C2 | N2 | C3 | 118.9° | 120.8° |
| C2 | N2 | C5 | 121.0° | 118.4° |
| N2 | C2 | C13 | 116.5° | 119.1° |
| N2 | C3 | C4 | 112.2° | 109.5° |
| C3 | N2 | C5 | 120.1° | 120.8° |
| N2 | C3 | H2 | 108.8° | 109.5° |
| N2 | C3 | H3 | 108.8° | 109.5° |
| C3 | C4 | O1 | 118.7° | 120.0° |
| C4 | C3 | H2 | 108.8° | 109.5° |
| C4 | C3 | H3 | 108.8° | 109.4° |
| C3 | C4 | H1 | 120.7° | 120.0° |
| O1 | C4 | H1 | 120.6° | 120.0° |
| N2 | C5 | C6 | 121.8° | 120.1° |
| N2 | C5 | C12 | 118.0° | 120.3° |
| C5 | C6 | C7 | 120.5° | 119.9° |
| C6 | C5 | C12 | 120.2° | 119.6° |
| C5 | C6 | H4 | 119.8° | 120.1° |
| C6 | C7 | C8 | 119.3° | 119.7° |
| C6 | C7 | C9 | 119.7° | 120.6° |
| C7 | C6 | H4 | 119.8° | 120.1° |
| C8 | C7 | C9 | 121.0° | 119.7° |
| C7 | C8 | H6 | 109.5° | 109.5° |
| C7 | C8 | H7 | 109.5° | 109.5° |
| C7 | C8 | H5 | 109.5° | 109.5° |
| C7 | C9 | C10 | 120.9° | 119.6° |
| C7 | C9 | C11 | 119.7° | 120.8° |
| C10 | C9 | C11 | 119.4° | 119.6° |
| C9 | C10 | H9 | 109.5° | 109.5° |
| C9 | C10 | H10 | 109.5° | 109.4° |
| C9 | C10 | H8 | 109.4° | 109.5° |
| C9 | C11 | C12 | 120.7° | 119.9° |
| C9 | C11 | H11 | 119.6° | 120.1° |
| C11 | C12 | C5 | 119.2° | 119.2° |
| C11 | C12 | N3 | 118.7° | 119.8° |
| C12 | C11 | H11 | 119.7° | 120.0° |
| C5 | C12 | N3 | 122.0° | 120.9° |
| C12 | N3 | C13 | 118.0° | 120.7° |
| N3 | C13 | C2 | 124.5° | 120.5° |
| N3 | C13 | C | 118.2° | 122.3° |
| C2 | C13 | C | 117.3° | 117.2° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.4° |
| H9 | C10 | H8 | 109.5° | 109.5° |
| H10 | C10 | H8 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.4° | 109.4° |
| H6 | C8 | H5 | 109.4° | 109.4° |
| H7 | C8 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | C13 | 179.8° | 180.0° |
| O | C | N | C1 | 179.9° | 180.0° |
| O | C | C13 | N3 | 4.0° | 0.3° |
| O | C | C13 | C2 | 177.8° | 179.9° |
| O | C | N | H | 0.1° | 0.0° |
| C | N | C1 | H | 180.0° | 180.0° |
| C | N | C1 | N1 | 2.3° | 0.0° |
| N | C | C13 | N3 | 176.3° | 179.8° |
| N | C | C13 | C2 | 2.0° | 0.0° |
| C | N | C1 | O2 | 174.8° | 179.9° |
| N | C1 | N1 | O2 | 177.0° | 180.0° |
| N | C1 | N1 | C2 | 1.9° | 0.0° |
| C1 | N | C | C13 | 0.2° | 0.0° |
| C1 | N1 | C2 | N2 | 178.6° | 180.0° |
| C1 | N1 | C2 | C13 | 0.4° | 0.0° |
| N1 | C1 | N | H | 177.7° | 180.0° |
| N1 | C2 | N2 | C13 | 178.4° | 180.0° |
| N1 | C2 | N2 | C3 | 8.3° | 0.1° |
| N1 | C2 | N2 | C5 | 175.1° | 180.0° |
| N1 | C2 | C13 | N3 | 175.7° | 179.8° |
| N1 | C2 | C13 | C | 2.4° | 0.0° |
| C2 | N1 | C1 | O2 | 175.1° | 179.9° |
| C2 | N2 | C3 | C5 | 176.7° | 179.9° |
| C2 | N2 | C3 | C4 | 76.3° | 90.0° |
| C2 | N2 | C5 | C6 | 176.2° | 180.0° |
| C2 | N2 | C5 | C12 | 1.3° | 0.2° |
| N2 | C2 | C13 | N3 | 2.5° | 0.2° |
| N2 | C2 | C13 | C | 179.3° | 180.0° |
| C2 | N2 | C3 | H2 | 44.1° | 30.0° |
| C2 | N2 | C3 | H3 | 163.2° | 150.0° |
| N2 | C3 | C4 | H2 | 120.4° | 120.0° |
| N2 | C3 | C4 | H3 | 120.4° | 120.0° |
| N2 | C3 | C4 | O1 | 158.4° | 125.0° |
| C3 | N2 | C5 | C6 | 7.2° | 0.0° |
| C3 | N2 | C5 | C12 | 175.3° | 179.7° |
| C3 | N2 | C2 | C13 | 173.4° | 180.0° |
| N2 | C3 | H2 | H3 | 118.7° | 120.0° |
| N2 | C3 | C4 | H1 | 21.6° | 55.0° |
| C3 | C4 | O1 | H1 | 180.0° | 180.0° |
| C4 | C3 | N2 | C5 | 107.0° | 89.9° |
| C4 | C3 | H2 | H3 | 118.8° | 120.0° |
| O1 | C4 | C3 | H2 | 38.0° | 115.0° |
| O1 | C4 | C3 | H3 | 81.2° | 5.0° |
| N2 | C5 | C6 | C12 | 177.5° | 179.7° |
| N2 | C5 | C6 | C7 | 176.0° | 179.7° |
| N2 | C5 | C12 | C11 | 176.2° | 179.7° |
| N2 | C5 | C12 | N3 | 1.7° | 0.3° |
| C5 | N2 | C2 | C13 | 3.3° | 0.0° |
| C5 | N2 | C3 | H2 | 132.6° | 150.0° |
| C5 | N2 | C3 | H3 | 13.4° | 30.0° |
| N2 | C5 | C6 | H4 | 3.9° | 0.3° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C5 | C6 | C7 | C9 | 0.2° | 0.0° |
| C6 | C5 | C12 | C11 | 1.4° | 0.0° |
| C6 | C5 | C12 | N3 | 179.3° | 180.0° |
| C6 | C7 | C8 | C9 | 179.7° | 180.0° |
| C6 | C7 | C9 | C10 | 177.7° | 180.0° |
| C6 | C7 | C9 | C11 | 1.1° | 0.0° |
| C7 | C6 | C5 | C12 | 1.5° | 0.0° |
| C6 | C7 | C8 | H6 | 89.8° | 90.0° |
| C6 | C7 | C8 | H7 | 150.2° | 150.0° |
| C6 | C7 | C8 | H5 | 30.2° | 30.0° |
| C8 | C7 | C9 | C10 | 2.6° | 0.1° |
| C8 | C7 | C9 | C11 | 178.6° | 180.0° |
| C8 | C7 | C6 | H4 | 0.2° | 0.0° |
| C7 | C8 | H6 | H7 | 120.0° | 120.0° |
| C7 | C8 | H6 | H5 | 120.0° | 120.0° |
| C7 | C8 | H7 | H5 | 120.0° | 120.0° |
| C7 | C9 | C10 | C11 | 178.8° | 179.9° |
| C7 | C9 | C11 | C12 | 1.1° | 0.0° |
| C9 | C7 | C6 | H4 | 179.8° | 180.0° |
| C7 | C9 | C10 | H9 | 90.6° | 90.1° |
| C7 | C9 | C10 | H10 | 149.4° | 150.0° |
| C7 | C9 | C10 | H8 | 29.4° | 30.0° |
| C7 | C9 | C11 | H11 | 178.8° | 180.0° |
| C9 | C7 | C8 | H6 | 89.8° | 90.0° |
| C9 | C7 | C8 | H7 | 30.1° | 30.0° |
| C9 | C7 | C8 | H5 | 150.2° | 150.1° |
| C10 | C9 | C11 | C12 | 177.7° | 180.0° |
| C9 | C10 | H9 | H10 | 120.0° | 119.9° |
| C9 | C10 | H9 | H8 | 120.0° | 120.1° |
| C9 | C10 | H10 | H8 | 120.0° | 120.1° |
| C10 | C9 | C11 | H11 | 2.3° | 0.1° |
| C9 | C11 | C12 | H11 | 180.0° | 180.0° |
| C9 | C11 | C12 | C5 | 0.1° | 0.0° |
| C9 | C11 | C12 | N3 | 178.1° | 180.0° |
| C11 | C9 | C10 | H9 | 90.6° | 90.0° |
| C11 | C9 | C10 | H10 | 29.4° | 29.9° |
| C11 | C9 | C10 | H8 | 149.4° | 150.0° |
| C11 | C12 | C5 | N3 | 177.9° | 180.0° |
| C11 | C12 | N3 | C13 | 175.4° | 180.0° |
| C5 | C12 | N3 | C13 | 2.5° | 0.1° |
| C12 | C5 | C6 | H4 | 178.6° | 180.0° |
| C5 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | N3 | C13 | C2 | 0.3° | 0.2° |
| C12 | N3 | C13 | C | 177.8° | 180.0° |
| N3 | C12 | C11 | H11 | 2.0° | 0.0° |
| N3 | C13 | C2 | C | 178.1° | 179.8° |
| C13 | C | N | H | 179.8° | 180.0° |
| O2 | C1 | N | H | 5.2° | 0.1° |
| H2 | C3 | C4 | H1 | 141.9° | 65.0° |
| H3 | C3 | C4 | H1 | 98.9° | 175.0° |
| H9 | C10 | H10 | H8 | 120.0° | 120.0° |
| H6 | C8 | H7 | H5 | 119.9° | 120.0° |
