U1C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | N4 | sing | 1.32Å | 1.20Å | |
| N4 | O4 | doub | 1.32Å | 1.20Å | |
| N4 | C12 | sing | 1.48Å | 1.57Å | |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.37Å | 1.43Å | Aromatic |
| O2 | C3 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | doub | 1.37Å | 1.43Å | Aromatic |
| N1 | C3 | sing | 1.34Å | 1.47Å | |
| N1 | C2 | sing | 1.35Å | 1.42Å | |
| C10 | C9 | doub | 1.41Å | 1.43Å | Aromatic |
| C3 | N2 | sing | 1.35Å | 1.45Å | |
| C14 | C9 | sing | 1.41Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.42Å | 1.61Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| C2 | C1 | sing | 1.52Å | 1.57Å | |
| C7 | C8 | doub | 1.42Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.36Å | 1.48Å | Aromatic |
| C8 | O3 | sing | 1.34Å | 1.41Å | Aromatic |
| N2 | C1 | sing | 1.47Å | 1.53Å | |
| N2 | N3 | sing | 1.29Å | 1.45Å | |
| C6 | C5 | doub | 1.47Å | 1.38Å | Aromatic |
| O3 | C5 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.60Å | |
| N3 | C4 | doub | 1.33Å | 1.30Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | N4 | O4 | 121.3° | 120.0° |
| O5 | N4 | C12 | 119.2° | 120.0° |
| O4 | N4 | C12 | 119.4° | 120.0° |
| N4 | C12 | C11 | 119.9° | 119.8° |
| N4 | C12 | C13 | 120.0° | 119.8° |
| C11 | C12 | C13 | 120.2° | 120.5° |
| C12 | C11 | C10 | 119.2° | 120.3° |
| C12 | C11 | H11 | 120.4° | 119.8° |
| C12 | C13 | C14 | 119.3° | 120.3° |
| C12 | C13 | H8 | 120.3° | 119.9° |
| C11 | C10 | C9 | 123.2° | 119.7° |
| C11 | C10 | H7 | 118.4° | 120.1° |
| C10 | C11 | H11 | 120.4° | 119.9° |
| O2 | C3 | N1 | 125.9° | 123.8° |
| O2 | C3 | N2 | 124.9° | 123.8° |
| C13 | C14 | C9 | 123.1° | 119.7° |
| C14 | C13 | H8 | 120.4° | 119.9° |
| C13 | C14 | H12 | 118.4° | 120.1° |
| C3 | N1 | C2 | 111.6° | 111.7° |
| N1 | C3 | N2 | 109.1° | 112.4° |
| C3 | N1 | H1 | 124.2° | 124.2° |
| N1 | C2 | O1 | 129.2° | 127.1° |
| N1 | C2 | C1 | 106.2° | 105.7° |
| C2 | N1 | H1 | 124.2° | 124.2° |
| C10 | C9 | C14 | 115.0° | 119.5° |
| C10 | C9 | C8 | 122.2° | 120.2° |
| C9 | C10 | H7 | 118.4° | 120.2° |
| C3 | N2 | C1 | 107.7° | 106.6° |
| C3 | N2 | N3 | 137.0° | 126.7° |
| C14 | C9 | C8 | 122.8° | 120.2° |
| C9 | C14 | H12 | 118.5° | 120.1° |
| C9 | C8 | C7 | 128.7° | 125.2° |
| C9 | C8 | O3 | 124.8° | 125.3° |
| O1 | C2 | C1 | 124.6° | 127.2° |
| C2 | C1 | N2 | 105.4° | 103.6° |
| C2 | C1 | H9 | 110.5° | 110.6° |
| C2 | C1 | H10 | 110.5° | 110.6° |
| C8 | C7 | C6 | 108.2° | 107.5° |
| C7 | C8 | O3 | 106.4° | 109.5° |
| C8 | C7 | H6 | 125.9° | 126.3° |
| C7 | C6 | C5 | 107.0° | 106.3° |
| C7 | C6 | H5 | 126.5° | 126.8° |
| C6 | C7 | H6 | 125.9° | 126.2° |
| C8 | O3 | C5 | 111.1° | 109.3° |
| C1 | N2 | N3 | 115.2° | 126.7° |
| N2 | C1 | H9 | 110.5° | 110.6° |
| N2 | C1 | H10 | 110.5° | 110.8° |
| N2 | N3 | C4 | 129.4° | 120.0° |
| C6 | C5 | O3 | 107.4° | 107.3° |
| C6 | C5 | C4 | 135.3° | 126.3° |
| C5 | C6 | H5 | 126.5° | 126.9° |
| O3 | C5 | C4 | 117.3° | 126.3° |
| C5 | C4 | N3 | 122.4° | 120.0° |
| C5 | C4 | H3 | 118.8° | 120.0° |
| N3 | C4 | H3 | 118.8° | 120.0° |
| H9 | C1 | H10 | 109.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | N4 | O4 | C12 | 180.0° | 179.9° |
| O5 | N4 | C12 | C11 | 19.4° | 180.0° |
| O5 | N4 | C12 | C13 | 160.6° | 0.0° |
| O4 | N4 | C12 | C11 | 160.7° | 0.0° |
| O4 | N4 | C12 | C13 | 19.4° | 180.0° |
| N4 | C12 | C11 | C13 | 180.0° | 180.0° |
| N4 | C12 | C11 | C10 | 179.9° | 180.0° |
| N4 | C12 | C13 | C14 | 180.0° | 179.7° |
| N4 | C12 | C13 | H8 | 0.0° | 0.3° |
| N4 | C12 | C11 | H11 | 0.1° | 0.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.0° | 0.3° |
| C12 | C11 | C10 | C9 | 0.2° | 0.0° |
| C12 | C11 | C10 | H7 | 179.7° | 179.8° |
| C11 | C12 | C13 | H8 | 180.0° | 179.8° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C14 | H8 | 180.0° | 179.5° |
| C12 | C13 | C14 | C9 | 0.1° | 0.5° |
| C13 | C12 | C11 | H11 | 179.9° | 180.0° |
| C12 | C13 | C14 | H12 | 179.9° | 179.4° |
| C11 | C10 | C9 | H7 | 180.0° | 179.8° |
| C11 | C10 | C9 | C14 | 0.3° | 0.2° |
| C11 | C10 | C9 | C8 | 180.0° | 179.7° |
| O2 | C3 | N1 | N2 | 179.8° | 180.0° |
| O2 | C3 | N1 | C2 | 180.0° | 180.0° |
| O2 | C3 | N2 | C1 | 180.0° | 180.0° |
| O2 | C3 | N2 | N3 | 0.3° | 0.0° |
| O2 | C3 | N1 | H1 | 0.0° | 0.3° |
| C13 | C14 | C9 | C10 | 0.2° | 0.4° |
| C13 | C14 | C9 | H12 | 180.0° | 179.9° |
| C13 | C14 | C9 | C8 | 179.9° | 179.5° |
| C3 | N1 | C2 | H1 | 180.0° | 179.7° |
| C3 | N1 | C2 | O1 | 180.0° | 180.0° |
| C3 | N1 | C2 | C1 | 0.0° | 0.0° |
| N1 | C3 | N2 | C1 | 0.2° | 0.0° |
| N1 | C3 | N2 | N3 | 179.8° | 180.0° |
| C2 | N1 | C3 | N2 | 0.1° | 0.0° |
| N1 | C2 | O1 | C1 | 180.0° | 180.0° |
| N1 | C2 | C1 | N2 | 0.0° | 0.0° |
| N1 | C2 | C1 | H9 | 119.4° | 118.5° |
| N1 | C2 | C1 | H10 | 119.3° | 118.7° |
| C10 | C9 | C14 | C8 | 179.7° | 179.9° |
| C10 | C9 | C8 | C7 | 140.9° | 175.2° |
| C10 | C9 | C8 | O3 | 39.4° | 4.5° |
| C9 | C10 | C11 | H11 | 179.7° | 180.0° |
| C10 | C9 | C14 | H12 | 179.8° | 179.5° |
| C3 | N2 | C1 | C2 | 0.1° | 0.0° |
| C3 | N2 | C1 | N3 | 179.8° | 180.0° |
| C3 | N2 | N3 | C4 | 62.5° | 72.8° |
| N2 | C3 | N1 | H1 | 179.9° | 179.7° |
| C3 | N2 | C1 | H9 | 119.5° | 118.5° |
| C3 | N2 | C1 | H10 | 119.2° | 118.6° |
| C14 | C9 | C8 | C7 | 39.5° | 4.9° |
| C14 | C9 | C8 | O3 | 140.3° | 175.4° |
| C14 | C9 | C10 | H7 | 179.7° | 180.0° |
| C9 | C14 | C13 | H8 | 179.9° | 180.0° |
| C9 | C8 | C7 | O3 | 179.8° | 179.7° |
| C9 | C8 | C7 | C6 | 180.0° | 180.0° |
| C9 | C8 | O3 | C5 | 179.8° | 179.9° |
| C9 | C8 | C7 | H6 | 0.0° | 0.2° |
| C8 | C9 | C10 | H7 | 0.0° | 0.1° |
| C8 | C9 | C14 | H12 | 0.1° | 0.6° |
| O1 | C2 | C1 | N2 | 180.0° | 180.0° |
| O1 | C2 | N1 | H1 | 0.0° | 0.3° |
| O1 | C2 | C1 | H9 | 60.6° | 61.5° |
| O1 | C2 | C1 | H10 | 60.7° | 61.3° |
| C2 | C1 | N2 | H9 | 119.4° | 118.5° |
| C2 | C1 | N2 | H10 | 119.4° | 118.6° |
| C2 | C1 | N2 | N3 | 179.9° | 180.0° |
| C1 | C2 | N1 | H1 | 180.0° | 179.7° |
| C2 | C1 | H9 | H10 | 121.9° | 122.8° |
| C8 | C7 | C6 | H6 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 0.4° | 0.0° |
| C7 | C8 | O3 | C5 | 0.0° | 0.4° |
| C8 | C7 | C6 | H5 | 179.6° | 180.0° |
| C6 | C7 | C8 | O3 | 0.2° | 0.2° |
| C7 | C6 | C5 | H5 | 180.0° | 179.9° |
| C7 | C6 | C5 | O3 | 0.4° | 0.3° |
| C7 | C6 | C5 | C4 | 179.7° | 179.9° |
| C8 | O3 | C5 | C6 | 0.3° | 0.4° |
| C8 | O3 | C5 | C4 | 179.7° | 179.9° |
| O3 | C8 | C7 | H6 | 179.8° | 179.9° |
| C1 | N2 | N3 | C4 | 117.2° | 107.2° |
| N2 | C1 | H9 | H10 | 121.9° | 123.0° |
| N2 | N3 | C4 | C5 | 45.0° | 7.3° |
| N2 | N3 | C4 | H3 | 135.0° | 172.7° |
| N3 | N2 | C1 | H9 | 60.8° | 61.5° |
| N3 | N2 | C1 | H10 | 60.5° | 61.5° |
| C6 | C5 | O3 | C4 | 179.5° | 179.7° |
| C6 | C5 | C4 | N3 | 91.8° | 175.8° |
| C6 | C5 | C4 | H3 | 88.2° | 4.2° |
| C5 | C6 | C7 | H6 | 179.6° | 179.8° |
| O3 | C5 | C4 | N3 | 87.5° | 3.8° |
| O3 | C5 | C4 | H3 | 92.6° | 176.2° |
| O3 | C5 | C6 | H5 | 179.6° | 179.8° |
| C5 | C4 | N3 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | H5 | 0.3° | 0.1° |
| H5 | C6 | C7 | H6 | 0.3° | 0.1° |
| H7 | C10 | C11 | H11 | 0.3° | 0.3° |
| H8 | C13 | C14 | H12 | 0.1° | 0.0° |
