UAW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| O2 | C9 | sing | 1.36Å | 1.35Å | |
| C11 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| O1 | C5 | doub | 1.22Å | 1.34Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.36Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | N2 | sing | 1.35Å | 1.37Å | |
| C5 | N1 | sing | 1.35Å | 1.36Å | |
| C8 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | N1 | sing | 1.47Å | 1.47Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C13 | C2 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| O2 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 122.2° | 120.0° |
| C10 | C11 | C6 | 120.2° | 120.0° |
| C10 | C11 | H3 | 119.9° | 120.0° |
| C11 | C10 | H6 | 118.9° | 120.0° |
| C10 | C9 | O2 | 129.4° | 120.0° |
| C10 | C9 | C8 | 118.2° | 120.0° |
| C9 | C10 | H6 | 118.9° | 120.0° |
| O2 | C9 | C8 | 112.2° | 120.0° |
| C9 | O2 | H18 | 109.5° | 113.9° |
| C11 | C6 | N2 | 124.9° | 120.0° |
| C11 | C6 | C7 | 117.2° | 119.9° |
| C6 | C11 | H3 | 119.9° | 120.0° |
| O1 | C5 | N2 | 115.8° | 120.0° |
| O1 | C5 | N1 | 116.1° | 120.0° |
| C9 | C8 | C7 | 120.4° | 120.0° |
| C9 | C8 | H5 | 119.8° | 119.9° |
| N2 | C6 | C7 | 117.3° | 120.0° |
| C6 | N2 | C5 | 131.5° | 120.0° |
| C6 | N2 | H11 | 114.2° | 120.0° |
| C6 | C7 | C8 | 121.3° | 120.0° |
| C6 | C7 | H4 | 119.3° | 120.0° |
| N2 | C5 | N1 | 122.8° | 120.0° |
| C5 | N2 | H11 | 114.3° | 120.0° |
| C5 | N1 | C12 | 118.5° | 120.6° |
| C5 | N1 | C4 | 117.0° | 120.7° |
| C8 | C7 | H4 | 119.3° | 120.0° |
| C7 | C8 | H5 | 119.8° | 120.0° |
| N1 | C12 | C13 | 113.9° | 108.8° |
| C12 | N1 | C4 | 115.2° | 118.7° |
| N1 | C12 | H7 | 108.3° | 109.6° |
| N1 | C12 | H8 | 108.3° | 109.6° |
| C12 | C13 | C2 | 110.6° | 109.3° |
| C13 | C12 | H7 | 108.4° | 109.6° |
| C13 | C12 | H8 | 108.3° | 109.5° |
| C12 | C13 | H9 | 109.2° | 109.5° |
| C12 | C13 | H10 | 109.2° | 109.5° |
| N1 | C4 | C3 | 110.8° | 108.7° |
| N1 | C4 | H1 | 109.1° | 109.6° |
| N1 | C4 | H2 | 109.1° | 109.7° |
| C13 | C2 | C3 | 108.4° | 109.6° |
| C13 | C2 | C1 | 112.6° | 109.5° |
| C2 | C13 | H9 | 109.2° | 109.5° |
| C2 | C13 | H10 | 109.2° | 109.5° |
| C13 | C2 | H17 | 106.7° | 109.4° |
| C4 | C3 | C2 | 108.4° | 109.3° |
| C3 | C4 | H1 | 109.1° | 109.6° |
| C3 | C4 | H2 | 109.1° | 109.6° |
| C4 | C3 | H12 | 109.7° | 109.4° |
| C4 | C3 | H13 | 109.7° | 109.5° |
| C3 | C2 | C1 | 115.3° | 109.5° |
| C2 | C3 | H12 | 109.7° | 109.5° |
| C2 | C3 | H13 | 109.8° | 109.5° |
| C3 | C2 | H17 | 106.7° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.4° |
| C2 | C1 | H15 | 109.4° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 106.7° | 109.4° |
| H1 | C4 | H2 | 109.5° | 109.6° |
| H7 | C12 | H8 | 109.5° | 109.7° |
| H9 | C13 | H10 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.4° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H6 | 180.0° | 179.9° |
| C11 | C10 | C9 | O2 | 180.0° | 180.0° |
| C10 | C11 | C6 | H3 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 4.8° | 0.4° |
| C10 | C11 | C6 | N2 | 174.4° | 180.0° |
| C10 | C11 | C6 | C7 | 3.5° | 0.2° |
| C10 | C9 | O2 | C8 | 175.4° | 179.6° |
| C9 | C10 | C11 | C6 | 3.4° | 0.1° |
| C10 | C9 | C8 | C7 | 6.6° | 0.3° |
| C9 | C10 | C11 | H3 | 176.6° | 179.9° |
| C10 | C9 | C8 | H5 | 173.5° | 179.6° |
| C10 | C9 | O2 | H18 | 180.0° | 90.4° |
| O2 | C9 | C8 | C7 | 177.5° | 179.9° |
| O2 | C9 | C8 | H5 | 2.5° | 0.0° |
| O2 | C9 | C10 | H6 | 0.0° | 0.1° |
| C11 | C6 | N2 | C7 | 170.9° | 179.8° |
| C11 | C6 | N2 | C5 | 15.2° | 33.7° |
| C11 | C6 | C7 | C8 | 5.4° | 0.3° |
| C11 | C6 | C7 | H4 | 174.6° | 179.8° |
| C6 | C11 | C10 | H6 | 176.5° | 180.0° |
| C11 | C6 | N2 | H11 | 164.8° | 146.2° |
| O1 | C5 | N2 | C6 | 0.5° | 7.2° |
| O1 | C5 | N2 | N1 | 153.1° | 180.0° |
| O1 | C5 | N1 | C12 | 37.3° | 8.9° |
| O1 | C5 | N1 | C4 | 177.6° | 171.2° |
| O1 | C5 | N2 | H11 | 179.5° | 172.8° |
| C9 | C8 | C7 | C6 | 7.0° | 0.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | H4 | 173.0° | 180.0° |
| C8 | C9 | C10 | H6 | 175.1° | 179.8° |
| C8 | C9 | O2 | H18 | 4.6° | 90.0° |
| C6 | N2 | C5 | H11 | 180.0° | 180.0° |
| C6 | N2 | C5 | N1 | 152.6° | 172.8° |
| N2 | C6 | C7 | C8 | 177.0° | 180.0° |
| N2 | C6 | C11 | H3 | 5.6° | 0.0° |
| N2 | C6 | C7 | H4 | 3.1° | 0.0° |
| C7 | C6 | N2 | C5 | 174.0° | 146.5° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C7 | C6 | C11 | H3 | 176.5° | 179.8° |
| C6 | C7 | C8 | H5 | 173.0° | 179.9° |
| C7 | C6 | N2 | H11 | 6.0° | 33.5° |
| N2 | C5 | N1 | C12 | 169.6° | 171.2° |
| N2 | C5 | N1 | C4 | 24.5° | 8.7° |
| C5 | N1 | C12 | C4 | 145.7° | 179.9° |
| C5 | N1 | C12 | C13 | 169.9° | 126.4° |
| C5 | N1 | C4 | C3 | 164.3° | 126.4° |
| C5 | N1 | C4 | H1 | 75.5° | 113.8° |
| C5 | N1 | C4 | H2 | 44.2° | 6.7° |
| C5 | N1 | C12 | H7 | 49.3° | 113.8° |
| C5 | N1 | C12 | H8 | 69.4° | 6.7° |
| N1 | C5 | N2 | H11 | 27.4° | 7.2° |
| N1 | C12 | C13 | H7 | 120.6° | 119.8° |
| N1 | C12 | C13 | H8 | 120.6° | 119.8° |
| N1 | C12 | C13 | C2 | 48.8° | 54.6° |
| C12 | N1 | C4 | C3 | 49.4° | 53.7° |
| C12 | N1 | C4 | H1 | 70.8° | 66.1° |
| C12 | N1 | C4 | H2 | 169.6° | 173.5° |
| N1 | C12 | H7 | H8 | 118.0° | 120.4° |
| N1 | C12 | C13 | H9 | 71.4° | 65.3° |
| N1 | C12 | C13 | H10 | 168.9° | 174.6° |
| C13 | C12 | N1 | C4 | 44.4° | 53.7° |
| C12 | C13 | C2 | H9 | 120.1° | 119.9° |
| C12 | C13 | C2 | H10 | 120.2° | 120.0° |
| C12 | C13 | C2 | C3 | 59.4° | 61.3° |
| C12 | C13 | C2 | C1 | 171.8° | 178.6° |
| C13 | C12 | H7 | H8 | 118.0° | 120.3° |
| C12 | C13 | H9 | H10 | 119.5° | 120.1° |
| C12 | C13 | C2 | H17 | 55.2° | 58.7° |
| N1 | C4 | C3 | H1 | 120.2° | 119.8° |
| N1 | C4 | C3 | H2 | 120.2° | 119.9° |
| N1 | C4 | C3 | C2 | 59.5° | 54.7° |
| N1 | C4 | H1 | H2 | 119.4° | 120.5° |
| C4 | N1 | C12 | H7 | 165.0° | 66.1° |
| C4 | N1 | C12 | H8 | 76.3° | 173.4° |
| N1 | C4 | C3 | H12 | 179.4° | 174.6° |
| N1 | C4 | C3 | H13 | 60.3° | 65.3° |
| C13 | C2 | C3 | C4 | 65.1° | 61.4° |
| C13 | C2 | C3 | C1 | 127.2° | 120.0° |
| C13 | C2 | C3 | H17 | 114.6° | 120.0° |
| C13 | C2 | C1 | H17 | 116.7° | 119.9° |
| C2 | C13 | C12 | H7 | 169.4° | 65.2° |
| C2 | C13 | C12 | H8 | 71.9° | 174.4° |
| C2 | C13 | H9 | H10 | 119.5° | 120.1° |
| C13 | C2 | C3 | H12 | 175.1° | 178.7° |
| C13 | C2 | C3 | H13 | 54.8° | 58.6° |
| C13 | C2 | C1 | H14 | 180.0° | 60.0° |
| C13 | C2 | C1 | H15 | 60.0° | 180.0° |
| C13 | C2 | C1 | H16 | 60.0° | 60.0° |
| C4 | C3 | C2 | H12 | 119.8° | 119.9° |
| C4 | C3 | C2 | H13 | 119.8° | 120.0° |
| C4 | C3 | C2 | C1 | 167.7° | 178.6° |
| C3 | C4 | H1 | H2 | 119.4° | 120.3° |
| C4 | C3 | H12 | H13 | 120.5° | 120.0° |
| C4 | C3 | C2 | H17 | 49.5° | 58.7° |
| C3 | C2 | C1 | H17 | 118.3° | 120.0° |
| C2 | C3 | C4 | H1 | 60.6° | 65.1° |
| C2 | C3 | C4 | H2 | 179.7° | 174.5° |
| C3 | C2 | C13 | H9 | 60.7° | 58.6° |
| C3 | C2 | C13 | H10 | 179.6° | 178.7° |
| C2 | C3 | H12 | H13 | 120.5° | 120.1° |
| C3 | C2 | C1 | H14 | 55.0° | 179.9° |
| C3 | C2 | C1 | H15 | 65.1° | 59.9° |
| C3 | C2 | C1 | H16 | 175.0° | 60.1° |
| C1 | C2 | C13 | H9 | 68.0° | 61.4° |
| C1 | C2 | C13 | H10 | 51.7° | 58.7° |
| C1 | C2 | C3 | H12 | 47.9° | 58.7° |
| C1 | C2 | C3 | H13 | 72.4° | 61.4° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| H1 | C4 | C3 | H12 | 59.2° | 54.8° |
| H1 | C4 | C3 | H13 | 179.5° | 174.9° |
| H2 | C4 | C3 | H12 | 60.5° | 65.5° |
| H2 | C4 | C3 | H13 | 59.9° | 54.5° |
| H3 | C11 | C10 | H6 | 3.5° | 0.0° |
| H4 | C7 | C8 | H5 | 7.0° | 0.1° |
| H7 | C12 | C13 | H9 | 49.3° | 174.9° |
| H7 | C12 | C13 | H10 | 70.4° | 54.8° |
| H8 | C12 | C13 | H9 | 168.0° | 54.5° |
| H8 | C12 | C13 | H10 | 48.3° | 65.6° |
| H9 | C13 | C2 | H17 | 175.3° | 178.6° |
| H10 | C13 | C2 | H17 | 65.0° | 61.3° |
| H12 | C3 | C2 | H17 | 70.3° | 61.3° |
| H13 | C3 | C2 | H17 | 169.3° | 178.6° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H14 | C1 | C2 | H17 | 63.3° | 60.0° |
| H15 | C1 | C2 | H17 | 176.7° | 60.0° |
| H16 | C1 | C2 | H17 | 56.7° | 179.9° |
