U2C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | N4 | sing | 1.42Å | 1.39Å | |
| CL1 | C7 | sing | 1.74Å | 1.74Å | |
| N4 | C17 | sing | 1.35Å | 1.32Å | |
| C8 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.36Å | 1.36Å | Aromatic |
| C7 | C6 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | O3 | doub | 1.21Å | 1.23Å | |
| C17 | C2 | sing | 1.51Å | 1.53Å | |
| C10 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C10 | N1 | sing | 1.34Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| N1 | C11 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C4 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C11 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | N2 | sing | 1.38Å | 1.34Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| N2 | C12 | sing | 1.46Å | 1.45Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | O1 | sing | 1.34Å | 1.37Å | Aromatic |
| C13 | C14 | doub | 1.34Å | 1.34Å | Aromatic |
| O1 | C16 | sing | 1.34Å | 1.37Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C16 | C15 | doub | 1.34Å | 1.37Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.08Å | 1.08Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| N2 | H15 | sing | 0.97Å | 1.00Å | |
| N4 | H16 | sing | 0.97Å | 1.00Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N4 | C17 | 119.7° | 120.0° |
| O2 | N4 | H16 | 120.2° | 120.1° |
| N4 | O2 | H17 | 109.5° | 114.0° |
| CL1 | C7 | C8 | 118.3° | 119.6° |
| CL1 | C7 | C6 | 119.7° | 119.5° |
| N4 | C17 | O3 | 122.7° | 120.0° |
| N4 | C17 | C2 | 116.3° | 120.0° |
| C17 | N4 | H16 | 120.2° | 119.9° |
| C7 | C8 | C9 | 119.5° | 121.0° |
| C8 | C7 | C6 | 122.0° | 120.9° |
| C7 | C8 | H13 | 120.2° | 119.5° |
| C8 | C9 | C10 | 120.6° | 119.6° |
| C9 | C8 | H13 | 120.2° | 119.5° |
| C8 | C9 | H14 | 119.7° | 120.2° |
| C7 | C6 | C5 | 119.2° | 119.5° |
| C7 | C6 | H12 | 120.4° | 120.2° |
| C9 | C10 | C5 | 119.3° | 119.3° |
| C9 | C10 | N1 | 120.3° | 121.9° |
| C10 | C9 | H14 | 119.7° | 120.2° |
| C6 | C5 | C10 | 119.4° | 119.6° |
| C6 | C5 | C4 | 123.2° | 122.1° |
| C5 | C6 | H12 | 120.4° | 120.2° |
| O3 | C17 | C2 | 121.0° | 120.0° |
| C17 | C2 | C3 | 111.1° | 109.5° |
| C17 | C2 | C1 | 109.6° | 109.4° |
| C17 | C2 | H9 | 108.4° | 109.5° |
| C5 | C10 | N1 | 120.5° | 118.7° |
| C10 | C5 | C4 | 117.4° | 118.4° |
| C10 | N1 | C11 | 117.7° | 120.2° |
| C5 | C4 | C3 | 122.2° | 120.7° |
| C5 | C4 | N3 | 120.8° | 118.5° |
| N1 | C11 | N3 | 125.0° | 122.6° |
| N1 | C11 | N2 | 117.4° | 118.7° |
| C3 | C4 | N3 | 117.0° | 120.7° |
| C4 | C3 | C2 | 111.7° | 109.5° |
| C4 | C3 | H10 | 108.9° | 109.5° |
| C4 | C3 | H11 | 108.9° | 109.5° |
| C4 | N3 | C11 | 118.6° | 121.6° |
| C3 | C2 | C1 | 111.1° | 109.5° |
| C3 | C2 | H9 | 108.2° | 109.5° |
| C2 | C3 | H10 | 108.9° | 109.5° |
| C2 | C3 | H11 | 108.9° | 109.5° |
| N3 | C11 | N2 | 117.7° | 118.7° |
| C11 | N2 | C12 | 123.8° | 120.0° |
| C11 | N2 | H15 | 105.8° | 120.0° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H9 | 108.4° | 109.5° |
| N2 | C12 | C13 | 113.1° | 109.4° |
| N2 | C12 | H4 | 108.5° | 109.5° |
| N2 | C12 | H5 | 108.6° | 109.5° |
| C12 | N2 | H15 | 105.7° | 120.0° |
| C12 | C13 | O1 | 117.2° | 125.8° |
| C12 | C13 | C14 | 132.5° | 125.7° |
| C13 | C12 | H4 | 108.6° | 109.4° |
| C13 | C12 | H5 | 108.6° | 109.5° |
| O1 | C13 | C14 | 110.3° | 108.5° |
| C13 | O1 | C16 | 106.9° | 109.5° |
| C13 | C14 | C15 | 107.3° | 106.8° |
| C13 | C14 | H6 | 126.4° | 126.6° |
| O1 | C16 | C15 | 109.5° | 108.4° |
| O1 | C16 | H8 | 125.3° | 125.8° |
| C14 | C15 | C16 | 106.0° | 106.9° |
| C15 | C14 | H6 | 126.4° | 126.6° |
| C14 | C15 | H7 | 127.0° | 126.6° |
| C16 | C15 | H7 | 127.0° | 126.6° |
| C15 | C16 | H8 | 125.3° | 125.8° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C12 | H5 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N4 | C17 | H16 | 180.0° | 180.0° |
| O2 | N4 | C17 | O3 | 2.4° | 0.0° |
| O2 | N4 | C17 | C2 | 177.3° | 180.0° |
| CL1 | C7 | C8 | C6 | 179.9° | 180.0° |
| CL1 | C7 | C8 | C9 | 180.0° | 179.7° |
| CL1 | C7 | C6 | C5 | 179.9° | 180.0° |
| CL1 | C7 | C6 | H12 | 0.1° | 0.0° |
| CL1 | C7 | C8 | H13 | 0.0° | 0.0° |
| N4 | C17 | O3 | C2 | 179.6° | 180.0° |
| N4 | C17 | C2 | C3 | 9.7° | 180.0° |
| N4 | C17 | C2 | C1 | 113.5° | 60.0° |
| N4 | C17 | C2 | H9 | 128.4° | 60.0° |
| C17 | N4 | O2 | H17 | 1.1° | 180.0° |
| C7 | C8 | C9 | H13 | 180.0° | 179.8° |
| C7 | C8 | C9 | C10 | 0.2° | 0.6° |
| C8 | C7 | C6 | C5 | 0.2° | 0.0° |
| C8 | C7 | C6 | H12 | 179.8° | 180.0° |
| C7 | C8 | C9 | H14 | 179.8° | 180.0° |
| C9 | C8 | C7 | C6 | 0.1° | 0.3° |
| C8 | C9 | C10 | H14 | 180.0° | 179.4° |
| C8 | C9 | C10 | C5 | 0.3° | 0.6° |
| C8 | C9 | C10 | N1 | 179.8° | 179.8° |
| C7 | C6 | C5 | H12 | 180.0° | 180.0° |
| C7 | C6 | C5 | C10 | 0.3° | 0.0° |
| C7 | C6 | C5 | C4 | 179.9° | 180.0° |
| C6 | C7 | C8 | H13 | 179.9° | 180.0° |
| C9 | C10 | C5 | C6 | 0.3° | 0.3° |
| C9 | C10 | C5 | N1 | 179.9° | 179.6° |
| C9 | C10 | C5 | C4 | 180.0° | 179.7° |
| C9 | C10 | N1 | C11 | 179.9° | 179.7° |
| C10 | C9 | C8 | H13 | 179.8° | 179.7° |
| C6 | C5 | C10 | C4 | 179.6° | 180.0° |
| C6 | C5 | C10 | N1 | 179.8° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.0° |
| C6 | C5 | C4 | N3 | 179.8° | 180.0° |
| O3 | C17 | C2 | C3 | 170.7° | 0.0° |
| O3 | C17 | C2 | C1 | 66.2° | 119.9° |
| O3 | C17 | C2 | H9 | 51.9° | 120.0° |
| O3 | C17 | N4 | H16 | 177.6° | 180.0° |
| C17 | C2 | C3 | C4 | 74.0° | 175.0° |
| C17 | C2 | C3 | C1 | 122.3° | 120.0° |
| C17 | C2 | C3 | H9 | 118.9° | 120.0° |
| C17 | C2 | C1 | H9 | 118.1° | 120.0° |
| C17 | C2 | C1 | H1 | 180.0° | 60.0° |
| C17 | C2 | C1 | H2 | 60.0° | 60.1° |
| C17 | C2 | C1 | H3 | 60.0° | 180.0° |
| C17 | C2 | C3 | H10 | 165.6° | 55.0° |
| C17 | C2 | C3 | H11 | 46.3° | 65.0° |
| C2 | C17 | N4 | H16 | 2.7° | 0.0° |
| C5 | C10 | N1 | C11 | 0.2° | 0.1° |
| C10 | C5 | C4 | C3 | 179.9° | 180.0° |
| C10 | C5 | C4 | N3 | 0.2° | 0.0° |
| C10 | C5 | C6 | H12 | 179.7° | 180.0° |
| C5 | C10 | C9 | H14 | 179.7° | 180.0° |
| N1 | C10 | C5 | C4 | 0.2° | 0.0° |
| C10 | N1 | C11 | N3 | 0.3° | 0.1° |
| C10 | N1 | C11 | N2 | 179.8° | 180.0° |
| N1 | C10 | C9 | H14 | 0.2° | 0.4° |
| C5 | C4 | C3 | N3 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 161.7° | 90.0° |
| C5 | C4 | N3 | C11 | 0.3° | 0.0° |
| C5 | C4 | C3 | H10 | 77.9° | 150.0° |
| C5 | C4 | C3 | H11 | 41.4° | 30.0° |
| C4 | C5 | C6 | H12 | 0.1° | 0.0° |
| N1 | C11 | N3 | C4 | 0.4° | 0.0° |
| N1 | C11 | N3 | N2 | 179.5° | 180.0° |
| N1 | C11 | N2 | C12 | 178.3° | 0.0° |
| N1 | C11 | N2 | H15 | 59.7° | 179.9° |
| C4 | C3 | C2 | H10 | 120.3° | 120.0° |
| C4 | C3 | C2 | H11 | 120.3° | 120.0° |
| C3 | C4 | N3 | C11 | 179.8° | 180.0° |
| C4 | C3 | C2 | C1 | 163.6° | 65.0° |
| C4 | C3 | C2 | H9 | 44.8° | 55.0° |
| C4 | C3 | H10 | H11 | 119.0° | 120.0° |
| N3 | C4 | C3 | C2 | 18.2° | 90.0° |
| C4 | N3 | C11 | N2 | 179.9° | 180.0° |
| N3 | C4 | C3 | H10 | 102.2° | 30.0° |
| N3 | C4 | C3 | H11 | 138.5° | 150.0° |
| C3 | C2 | C1 | H9 | 118.7° | 120.0° |
| C3 | C2 | C1 | H1 | 56.8° | 60.0° |
| C3 | C2 | C1 | H2 | 63.2° | 180.0° |
| C3 | C2 | C1 | H3 | 176.8° | 60.1° |
| C2 | C3 | H10 | H11 | 119.0° | 120.0° |
| N3 | C11 | N2 | C12 | 2.2° | 180.0° |
| N3 | C11 | N2 | H15 | 119.8° | 0.0° |
| C11 | N2 | C12 | H15 | 122.0° | 179.9° |
| C11 | N2 | C12 | C13 | 75.8° | 180.0° |
| C11 | N2 | C12 | H4 | 44.7° | 60.0° |
| C11 | N2 | C12 | H5 | 163.6° | 60.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H10 | 43.3° | 175.0° |
| C1 | C2 | C3 | H11 | 76.0° | 54.9° |
| N2 | C12 | C13 | H4 | 120.5° | 120.0° |
| N2 | C12 | C13 | H5 | 120.6° | 120.0° |
| N2 | C12 | C13 | O1 | 126.7° | 90.0° |
| N2 | C12 | C13 | C14 | 53.3° | 90.3° |
| N2 | C12 | H4 | H5 | 118.4° | 120.0° |
| C12 | C13 | O1 | C14 | 180.0° | 179.7° |
| C12 | C13 | O1 | C16 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| C13 | C12 | H4 | H5 | 118.4° | 120.0° |
| C12 | C13 | C14 | H6 | 0.1° | 0.0° |
| C13 | C12 | N2 | H15 | 162.2° | 0.0° |
| O1 | C13 | C14 | C15 | 0.0° | 0.3° |
| C13 | O1 | C16 | C15 | 0.1° | 0.4° |
| O1 | C13 | C12 | H4 | 6.2° | 29.9° |
| O1 | C13 | C12 | H5 | 112.7° | 150.0° |
| O1 | C13 | C14 | H6 | 180.0° | 179.7° |
| C13 | O1 | C16 | H8 | 179.9° | 179.8° |
| C14 | C13 | O1 | C16 | 0.0° | 0.4° |
| C13 | C14 | C15 | H6 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | H4 | 173.8° | 149.7° |
| C14 | C13 | C12 | H5 | 67.2° | 29.7° |
| C13 | C14 | C15 | H7 | 179.9° | 180.0° |
| O1 | C16 | C15 | C14 | 0.1° | 0.2° |
| O1 | C16 | C15 | H8 | 180.0° | 179.8° |
| O1 | C16 | C15 | H7 | 179.9° | 179.7° |
| C14 | C15 | C16 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H8 | 179.8° | 179.9° |
| C16 | C15 | C14 | H6 | 179.9° | 180.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H9 | 61.9° | 180.0° |
| H2 | C1 | C2 | H9 | 178.1° | 59.9° |
| H3 | C1 | C2 | H9 | 58.1° | 60.0° |
| H4 | C12 | N2 | H15 | 77.2° | 119.9° |
| H5 | C12 | N2 | H15 | 41.7° | 120.0° |
| H6 | C14 | C15 | H7 | 0.1° | 0.0° |
| H7 | C15 | C16 | H8 | 0.2° | 0.1° |
| H9 | C2 | C3 | H10 | 75.5° | 65.0° |
| H9 | C2 | C3 | H11 | 165.2° | 175.0° |
| H13 | C8 | C9 | H14 | 0.2° | 0.3° |
| H16 | N4 | O2 | H17 | 178.9° | 0.0° |
