A1A3Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.49Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C2 | N | sing | 1.47Å | 1.47Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| N | C4 | sing | 1.35Å | 1.34Å | |
| C4 | O | doub | 1.22Å | 1.21Å | |
| C5 | C4 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C7 | H11 | sing | 1.08Å | 1.08Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 110.0° | 109.5° |
| C | C1 | H3 | 109.3° | 109.4° |
| C | C1 | H4 | 109.3° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | H2 | 109.5° | 109.5° |
| C1 | C | H1 | 109.5° | 109.5° |
| C1 | N | C2 | 116.4° | 120.0° |
| C1 | N | C4 | 115.4° | 120.0° |
| N | C1 | H3 | 109.3° | 109.5° |
| N | C1 | H4 | 109.4° | 109.5° |
| N | C2 | C3 | 111.9° | 109.5° |
| C2 | N | C4 | 127.9° | 120.0° |
| N | C2 | H5 | 108.9° | 109.5° |
| N | C2 | H6 | 108.8° | 109.5° |
| C3 | C2 | H5 | 108.8° | 109.4° |
| C3 | C2 | H6 | 108.8° | 109.5° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H9 | 109.5° | 109.4° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| N | C4 | O | 121.7° | 119.9° |
| N | C4 | C5 | 118.6° | 120.1° |
| O | C4 | C5 | 119.7° | 120.0° |
| C4 | C5 | C6 | 119.2° | 120.1° |
| C4 | C5 | C10 | 120.6° | 120.2° |
| C5 | C6 | C7 | 120.2° | 119.8° |
| C6 | C5 | C10 | 120.2° | 119.7° |
| C5 | C6 | H10 | 119.9° | 120.1° |
| C6 | C7 | C8 | 120.2° | 120.1° |
| C7 | C6 | H10 | 119.9° | 120.1° |
| C6 | C7 | H11 | 119.9° | 120.0° |
| C7 | C8 | C9 | 120.1° | 120.3° |
| C8 | C7 | H11 | 119.9° | 119.9° |
| C7 | C8 | H12 | 119.9° | 119.9° |
| C8 | C9 | C10 | 121.4° | 120.1° |
| C9 | C8 | H12 | 120.0° | 119.8° |
| C8 | C9 | H13 | 119.3° | 119.9° |
| C9 | C10 | C5 | 117.9° | 119.9° |
| C9 | C10 | C11 | 119.4° | 120.0° |
| C10 | C9 | H13 | 119.3° | 120.0° |
| C5 | C10 | C11 | 122.6° | 120.1° |
| C10 | C11 | H15 | 109.5° | 109.5° |
| C10 | C11 | H16 | 109.5° | 109.4° |
| C10 | C11 | H14 | 109.5° | 109.5° |
| H5 | C2 | H6 | 109.5° | 109.5° |
| H7 | C3 | H9 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.4° | 109.5° |
| H9 | C3 | H8 | 109.5° | 109.4° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| H | C | H2 | 109.5° | 109.5° |
| H | C | H1 | 109.4° | 109.4° |
| H2 | C | H1 | 109.5° | 109.5° |
| H15 | C11 | H16 | 109.4° | 109.5° |
| H15 | C11 | H14 | 109.5° | 109.5° |
| H16 | C11 | H14 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H3 | 120.1° | 120.0° |
| C | C1 | N | H4 | 120.1° | 120.0° |
| C | C1 | N | C2 | 78.6° | 90.0° |
| C | C1 | N | C4 | 95.6° | 90.0° |
| C | C1 | H3 | H4 | 119.7° | 120.0° |
| C1 | C | H | H2 | 120.0° | 120.0° |
| C1 | C | H | H1 | 120.0° | 120.0° |
| C1 | C | H2 | H1 | 120.0° | 120.1° |
| C1 | N | C2 | C4 | 173.4° | 180.0° |
| C1 | N | C2 | C3 | 39.7° | 95.1° |
| C1 | N | C4 | O | 7.3° | 5.6° |
| C1 | N | C4 | C5 | 170.8° | 174.2° |
| C1 | N | C2 | H5 | 160.0° | 24.9° |
| C1 | N | C2 | H6 | 80.7° | 144.9° |
| N | C1 | H3 | H4 | 119.8° | 120.0° |
| N | C1 | C | H | 180.0° | 60.0° |
| N | C1 | C | H2 | 60.0° | 60.0° |
| N | C1 | C | H1 | 60.0° | 180.0° |
| N | C2 | C3 | H5 | 120.4° | 120.0° |
| N | C2 | C3 | H6 | 120.3° | 120.0° |
| C2 | N | C4 | O | 179.2° | 174.4° |
| C2 | N | C4 | C5 | 2.7° | 5.8° |
| N | C2 | H5 | H6 | 118.9° | 120.0° |
| N | C2 | C3 | H7 | 180.0° | 180.0° |
| N | C2 | C3 | H9 | 60.0° | 60.0° |
| N | C2 | C3 | H8 | 60.0° | 60.0° |
| C2 | N | C1 | H3 | 41.4° | 30.0° |
| C2 | N | C1 | H4 | 161.3° | 150.0° |
| C3 | C2 | N | C4 | 146.9° | 84.9° |
| C3 | C2 | H5 | H6 | 118.9° | 120.0° |
| C2 | C3 | H7 | H9 | 120.0° | 120.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.1° |
| C2 | C3 | H9 | H8 | 120.0° | 120.0° |
| N | C4 | O | C5 | 178.0° | 179.8° |
| N | C4 | C5 | C6 | 108.2° | 54.9° |
| N | C4 | C5 | C10 | 72.3° | 125.3° |
| C4 | N | C2 | H5 | 26.5° | 155.1° |
| C4 | N | C2 | H6 | 92.8° | 35.0° |
| C4 | N | C1 | H3 | 144.3° | 150.0° |
| C4 | N | C1 | H4 | 24.5° | 30.0° |
| O | C4 | C5 | C6 | 73.7° | 124.8° |
| O | C4 | C5 | C10 | 105.8° | 54.9° |
| C4 | C5 | C6 | C10 | 179.6° | 179.8° |
| C4 | C5 | C6 | C7 | 180.0° | 180.0° |
| C4 | C5 | C10 | C9 | 180.0° | 179.8° |
| C4 | C5 | C10 | C11 | 0.4° | 0.0° |
| C4 | C5 | C6 | H10 | 0.0° | 0.0° |
| C5 | C6 | C7 | H10 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.2° | 0.1° |
| C6 | C5 | C10 | C9 | 0.5° | 0.4° |
| C6 | C5 | C10 | C11 | 179.2° | 179.8° |
| C5 | C6 | C7 | H11 | 179.8° | 180.0° |
| C6 | C7 | C8 | H11 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.7° | 0.1° |
| C7 | C6 | C5 | C10 | 0.4° | 0.2° |
| C6 | C7 | C8 | H12 | 179.3° | 179.9° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.6° | 0.2° |
| C8 | C7 | C6 | H10 | 179.8° | 180.0° |
| C7 | C8 | C9 | H13 | 179.4° | 180.0° |
| C8 | C9 | C10 | H13 | 180.0° | 179.9° |
| C8 | C9 | C10 | C5 | 0.0° | 0.4° |
| C8 | C9 | C10 | C11 | 179.7° | 179.8° |
| C9 | C8 | C7 | H11 | 179.3° | 180.0° |
| C9 | C10 | C5 | C11 | 179.7° | 179.8° |
| C10 | C9 | C8 | H12 | 179.4° | 179.8° |
| C9 | C10 | C11 | H15 | 89.9° | 84.8° |
| C9 | C10 | C11 | H16 | 150.1° | 35.2° |
| C9 | C10 | C11 | H14 | 30.2° | 155.1° |
| C10 | C5 | C6 | H10 | 179.6° | 179.7° |
| C5 | C10 | C11 | H15 | 89.8° | 94.9° |
| C5 | C10 | C11 | H16 | 30.2° | 145.0° |
| C5 | C10 | C11 | H14 | 150.1° | 25.1° |
| C5 | C10 | C9 | H13 | 179.9° | 179.7° |
| C10 | C11 | H15 | H16 | 120.0° | 120.0° |
| C10 | C11 | H15 | H14 | 120.0° | 120.0° |
| C10 | C11 | H16 | H14 | 120.0° | 120.0° |
| C11 | C10 | C9 | H13 | 0.3° | 0.1° |
| H10 | C6 | C7 | H11 | 0.2° | 0.0° |
| H11 | C7 | C8 | H12 | 0.7° | 0.0° |
| H12 | C8 | C9 | H13 | 0.6° | 0.0° |
| H5 | C2 | C3 | H7 | 59.6° | 60.0° |
| H5 | C2 | C3 | H9 | 179.6° | NaN° |
| H5 | C2 | C3 | H8 | 60.4° | 60.1° |
| H6 | C2 | C3 | H7 | 59.7° | 60.0° |
| H6 | C2 | C3 | H9 | 60.4° | 60.0° |
| H6 | C2 | C3 | H8 | 179.6° | 179.9° |
| H7 | C3 | H9 | H8 | 120.0° | 120.0° |
| H3 | C1 | C | H | 60.0° | 180.0° |
| H3 | C1 | C | H2 | 60.1° | 60.0° |
| H3 | C1 | C | H1 | 179.9° | 60.0° |
| H4 | C1 | C | H | 59.9° | 60.0° |
| H4 | C1 | C | H2 | 179.9° | 180.0° |
| H4 | C1 | C | H1 | 60.1° | 60.0° |
| H | C | H2 | H1 | 120.0° | 119.9° |
| H15 | C11 | H16 | H14 | 120.0° | 120.0° |
