U0Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C13 | sing | 1.54Å | 1.53Å | |
| C9 | C4 | sing | 1.50Å | 1.47Å | |
| C13 | C8 | sing | 1.53Å | 1.49Å | |
| C10 | C4 | doub | 1.37Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | N3 | sing | 1.48Å | 1.47Å | |
| C11 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | N3 | sing | 1.38Å | 1.39Å | |
| C1 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| N3 | C7 | sing | 1.37Å | 1.39Å | |
| C6 | C2 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | S5 | sing | 1.76Å | 1.72Å | |
| C7 | N12 | doub | 1.31Å | 1.26Å | |
| C7 | S5 | sing | 1.77Å | 1.83Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| N12 | H10 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C9 | C4 | 111.7° | 109.3° |
| C9 | C13 | C8 | 112.1° | 110.5° |
| C13 | C9 | H3 | 108.9° | 109.5° |
| C13 | C9 | H4 | 108.9° | 109.5° |
| C9 | C13 | H7 | 108.8° | 109.2° |
| C9 | C13 | H8 | 108.8° | 109.2° |
| C9 | C4 | C10 | 123.1° | 124.1° |
| C9 | C4 | C1 | 119.1° | 118.0° |
| C4 | C9 | H3 | 108.9° | 109.1° |
| C4 | C9 | H4 | 108.9° | 109.9° |
| C13 | C8 | N3 | 111.2° | 108.4° |
| C13 | C8 | H1 | 109.0° | 109.7° |
| C13 | C8 | H2 | 109.0° | 109.8° |
| C8 | C13 | H7 | 108.8° | 109.8° |
| C8 | C13 | H8 | 108.8° | 109.0° |
| C4 | C10 | C11 | 121.2° | 121.7° |
| C10 | C4 | C1 | 117.4° | 117.9° |
| C4 | C10 | H5 | 119.4° | 119.1° |
| C10 | C11 | C6 | 120.5° | 121.5° |
| C11 | C10 | H5 | 119.4° | 119.2° |
| C10 | C11 | H6 | 119.7° | 119.2° |
| C4 | C1 | N3 | 122.9° | 123.8° |
| C4 | C1 | C2 | 122.1° | 119.7° |
| C8 | N3 | C1 | 120.3° | 120.5° |
| C8 | N3 | C7 | 125.8° | 123.8° |
| N3 | C8 | H1 | 109.0° | 109.7° |
| N3 | C8 | H2 | 109.0° | 109.6° |
| C11 | C6 | C2 | 119.0° | 116.7° |
| C6 | C11 | H6 | 119.8° | 119.3° |
| C11 | C6 | H9 | 120.5° | 121.7° |
| N3 | C1 | C2 | 114.9° | 116.5° |
| C1 | N3 | C7 | 113.8° | 115.7° |
| C1 | C2 | C6 | 119.4° | 122.6° |
| C1 | C2 | S5 | 110.8° | 106.0° |
| N3 | C7 | N12 | 120.4° | 126.6° |
| N3 | C7 | S5 | 108.6° | 106.8° |
| C6 | C2 | S5 | 129.5° | 131.4° |
| C2 | C6 | H9 | 120.5° | 121.6° |
| C2 | S5 | C7 | 91.6° | 95.0° |
| N12 | C7 | S5 | 130.5° | 126.6° |
| C7 | N12 | H10 | 112.0° | 120.0° |
| H1 | C8 | H2 | 109.5° | 109.6° |
| H3 | C9 | H4 | 109.5° | 109.4° |
| H7 | C13 | H8 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C9 | C4 | H3 | 120.3° | 119.8° |
| C13 | C9 | C4 | H4 | 120.3° | 120.2° |
| C9 | C13 | C8 | H7 | 120.4° | 120.5° |
| C9 | C13 | C8 | H8 | 120.4° | 120.0° |
| C13 | C9 | C4 | C10 | 158.6° | 150.8° |
| C13 | C9 | C4 | C1 | 28.2° | 29.1° |
| C9 | C13 | C8 | N3 | 51.1° | 57.6° |
| C9 | C13 | C8 | H1 | 171.3° | 62.1° |
| C9 | C13 | C8 | H2 | 69.2° | 177.4° |
| C13 | C9 | H3 | H4 | 118.9° | 120.0° |
| C9 | C13 | H7 | H8 | 118.8° | 119.3° |
| C4 | C9 | C13 | C8 | 51.2° | 58.4° |
| C9 | C4 | C10 | C1 | 173.3° | 179.9° |
| C9 | C4 | C10 | C11 | 177.6° | 179.9° |
| C9 | C4 | C1 | N3 | 6.0° | 0.1° |
| C9 | C4 | C1 | C2 | 178.6° | 179.8° |
| C4 | C9 | H3 | H4 | 119.0° | 120.3° |
| C9 | C4 | C10 | H5 | 2.4° | 0.1° |
| C4 | C9 | C13 | H7 | 69.2° | 62.5° |
| C4 | C9 | C13 | H8 | 171.6° | 178.2° |
| C13 | C8 | N3 | H1 | 120.3° | 119.7° |
| C13 | C8 | N3 | H2 | 120.3° | 119.8° |
| C13 | C8 | N3 | C1 | 29.1° | 28.6° |
| C13 | C8 | N3 | C7 | 154.8° | 151.4° |
| C13 | C8 | H1 | H2 | 119.2° | 120.6° |
| C8 | C13 | C9 | H3 | 69.1° | 177.9° |
| C8 | C13 | C9 | H4 | 171.6° | 62.1° |
| C8 | C13 | H7 | H8 | 118.8° | 119.4° |
| C4 | C10 | C11 | H5 | 180.0° | 179.9° |
| C4 | C10 | C11 | C6 | 4.9° | 0.1° |
| C10 | C4 | C1 | N3 | 179.5° | 180.0° |
| C10 | C4 | C1 | C2 | 5.0° | 0.3° |
| C10 | C4 | C9 | H3 | 81.1° | 31.1° |
| C10 | C4 | C9 | H4 | 38.3° | 89.0° |
| C4 | C10 | C11 | H6 | 175.1° | 180.0° |
| C11 | C10 | C4 | C1 | 4.4° | 0.1° |
| C10 | C11 | C6 | H6 | 180.0° | 179.9° |
| C10 | C11 | C6 | C2 | 5.8° | 0.1° |
| C10 | C11 | C6 | H9 | 174.2° | 180.0° |
| C4 | C1 | N3 | C8 | 6.2° | 0.3° |
| C4 | C1 | N3 | C2 | 175.8° | 179.7° |
| C4 | C1 | N3 | C7 | 177.3° | 179.7° |
| C4 | C1 | C2 | C6 | 6.1° | 0.3° |
| C4 | C1 | C2 | S5 | 179.8° | 179.7° |
| C1 | C4 | C9 | H3 | 92.1° | 148.8° |
| C1 | C4 | C9 | H4 | 148.6° | 91.1° |
| C1 | C4 | C10 | H5 | 175.6° | 180.0° |
| C8 | N3 | C1 | C7 | 176.5° | 180.0° |
| C8 | N3 | C1 | C2 | 178.0° | 180.0° |
| C8 | N3 | C7 | N12 | 1.3° | 0.0° |
| C8 | N3 | C7 | S5 | 174.5° | 180.0° |
| N3 | C8 | H1 | H2 | 119.2° | 120.4° |
| N3 | C8 | C13 | H7 | 69.3° | 62.9° |
| N3 | C8 | C13 | H8 | 171.4° | 177.6° |
| C11 | C6 | C2 | C1 | 6.3° | 0.0° |
| C11 | C6 | C2 | H9 | 180.0° | 179.9° |
| C11 | C6 | C2 | S5 | 178.7° | 179.9° |
| C6 | C11 | C10 | H5 | 175.1° | 179.8° |
| N3 | C1 | C2 | C6 | 178.1° | 180.0° |
| N3 | C1 | C2 | S5 | 4.4° | 0.0° |
| C1 | N3 | C7 | N12 | 175.0° | 180.0° |
| C1 | N3 | C7 | S5 | 1.8° | 0.1° |
| C1 | N3 | C8 | H1 | 149.4° | 91.1° |
| C1 | N3 | C8 | H2 | 91.1° | 148.4° |
| C2 | C1 | N3 | C7 | 1.5° | 0.1° |
| C1 | C2 | C6 | S5 | 172.4° | 180.0° |
| C1 | C2 | S5 | C7 | 4.4° | 0.0° |
| C1 | C2 | C6 | H9 | 173.7° | 179.8° |
| N3 | C7 | S5 | C2 | 3.6° | 0.0° |
| N3 | C7 | N12 | S5 | 171.5° | 180.0° |
| C7 | N3 | C8 | H1 | 34.5° | 88.8° |
| C7 | N3 | C8 | H2 | 84.9° | 31.6° |
| N3 | C7 | N12 | H10 | 171.5° | 180.0° |
| C6 | C2 | S5 | C7 | 177.3° | 179.9° |
| C2 | C6 | C11 | H6 | 174.2° | 179.9° |
| C2 | S5 | C7 | N12 | 175.9° | 180.0° |
| S5 | C2 | C6 | H9 | 1.3° | 0.2° |
| S5 | C7 | N12 | H10 | 0.0° | 0.0° |
| H1 | C8 | C13 | H7 | 50.9° | 177.4° |
| H1 | C8 | C13 | H8 | 68.3° | 57.8° |
| H2 | C8 | C13 | H7 | 170.4° | 56.9° |
| H2 | C8 | C13 | H8 | 51.2° | 62.7° |
| H3 | C9 | C13 | H7 | 170.5° | 57.1° |
| H3 | C9 | C13 | H8 | 51.3° | 62.2° |
| H4 | C9 | C13 | H7 | 51.2° | 177.1° |
| H4 | C9 | C13 | H8 | 68.1° | 57.8° |
| H5 | C10 | C11 | H6 | 4.9° | 0.1° |
| H6 | C11 | C6 | H9 | 5.8° | 0.1° |
