U0N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.54Å | 1.52Å | |
| C3 | C2 | sing | 1.54Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.54Å | 1.50Å | |
| C2 | N1 | sing | 1.49Å | 1.47Å | |
| C5 | N1 | sing | 1.49Å | 1.47Å | |
| N1 | C6 | sing | 1.38Å | 1.41Å | |
| C18 | N9 | sing | 1.46Å | 1.46Å | |
| C6 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| N2 | C8 | trip | 1.14Å | 1.16Å | |
| N9 | C17 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C9 | sing | 1.47Å | 1.44Å | Aromatic |
| C17 | C9 | doub | 1.40Å | 1.42Å | Aromatic |
| C17 | N8 | sing | 1.33Å | 1.34Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| N8 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N3 | sing | 1.38Å | 1.35Å | |
| C10 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C11 | N4 | sing | 1.33Å | 1.35Å | Aromatic |
| C11 | N5 | sing | 1.39Å | 1.37Å | |
| C13 | N6 | sing | 1.36Å | 1.36Å | Aromatic |
| C13 | C12 | doub | 1.36Å | 1.37Å | Aromatic |
| C14 | N6 | sing | 1.47Å | 1.46Å | |
| N6 | N7 | sing | 1.40Å | 1.36Å | Aromatic |
| N5 | C12 | sing | 1.41Å | 1.40Å | |
| C12 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | C15 | doub | 1.31Å | 1.33Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| N5 | H13 | sing | 0.97Å | 1.00Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C3 | C2 | 104.4° | 105.0° |
| C3 | C4 | C5 | 102.2° | 105.1° |
| C4 | C3 | H5 | 110.7° | 110.3° |
| C4 | C3 | H6 | 110.7° | 110.3° |
| C3 | C4 | H9 | 111.2° | 110.3° |
| C3 | C4 | H10 | 111.2° | 110.3° |
| C3 | C2 | C1 | 114.3° | 110.4° |
| C3 | C2 | N1 | 100.8° | 104.6° |
| C3 | C2 | H4 | 109.4° | 110.5° |
| C2 | C3 | H5 | 110.7° | 110.3° |
| C2 | C3 | H6 | 110.7° | 110.3° |
| C1 | C2 | N1 | 112.2° | 110.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.6° | 110.4° |
| C4 | C5 | N1 | 102.8° | 104.6° |
| C5 | C4 | H9 | 111.3° | 110.3° |
| C5 | C4 | H10 | 111.3° | 110.4° |
| C4 | C5 | H11 | 111.1° | 110.4° |
| C4 | C5 | H12 | 111.1° | 110.5° |
| C2 | N1 | C5 | 113.2° | 104.2° |
| C2 | N1 | C6 | 123.1° | 111.0° |
| N1 | C2 | H4 | 110.3° | 110.4° |
| C5 | N1 | C6 | 123.6° | 111.0° |
| N1 | C5 | H11 | 111.1° | 110.4° |
| N1 | C5 | H12 | 111.1° | 110.4° |
| N1 | C6 | N9 | 118.9° | 125.4° |
| N1 | C6 | C7 | 132.1° | 125.4° |
| C18 | N9 | C6 | 128.7° | 124.7° |
| C18 | N9 | C17 | 122.3° | 124.8° |
| N9 | C18 | H21 | 109.5° | 109.5° |
| N9 | C18 | H22 | 109.5° | 109.5° |
| N9 | C18 | H23 | 109.4° | 109.5° |
| N9 | C6 | C7 | 109.0° | 109.2° |
| C6 | N9 | C17 | 109.0° | 110.5° |
| C6 | C7 | C8 | 128.0° | 127.0° |
| C6 | C7 | C9 | 106.7° | 106.0° |
| N2 | C8 | C7 | 175.6° | 180.0° |
| N9 | C17 | C9 | 109.0° | 107.9° |
| N9 | C17 | N8 | 125.5° | 133.5° |
| C8 | C7 | C9 | 125.2° | 127.0° |
| C7 | C9 | C17 | 106.3° | 106.3° |
| C7 | C9 | C10 | 137.7° | 134.7° |
| C9 | C17 | N8 | 125.5° | 118.6° |
| C17 | C9 | C10 | 116.0° | 118.9° |
| C17 | N8 | C11 | 113.5° | 120.7° |
| C9 | C10 | N3 | 124.1° | 120.7° |
| C9 | C10 | N4 | 118.1° | 118.5° |
| N8 | C11 | N4 | 126.5° | 122.4° |
| N8 | C11 | N5 | 115.8° | 118.8° |
| N3 | C10 | N4 | 117.8° | 120.8° |
| C10 | N3 | H7 | 109.5° | 120.0° |
| C10 | N3 | H8 | 109.5° | 120.0° |
| C10 | N4 | C11 | 120.4° | 120.9° |
| N4 | C11 | N5 | 117.7° | 118.8° |
| C11 | N5 | C12 | 129.1° | 119.9° |
| C11 | N5 | H13 | 115.4° | 120.1° |
| N6 | C13 | C12 | 107.3° | 107.5° |
| C13 | N6 | C14 | 129.3° | 126.0° |
| C13 | N6 | N7 | 111.2° | 107.9° |
| N6 | C13 | H14 | 126.4° | 126.2° |
| C13 | C12 | N5 | 129.7° | 126.1° |
| C13 | C12 | C15 | 105.2° | 107.8° |
| C12 | C13 | H14 | 126.4° | 126.2° |
| C14 | N6 | N7 | 119.6° | 126.1° |
| N6 | C14 | H15 | 109.5° | 109.5° |
| N6 | C14 | H16 | 109.5° | 109.5° |
| N6 | C14 | H17 | 109.4° | 109.4° |
| N6 | N7 | C15 | 105.4° | 108.4° |
| N5 | C12 | C15 | 125.1° | 126.1° |
| C12 | N5 | H13 | 115.4° | 120.0° |
| C12 | C15 | N7 | 111.0° | 108.4° |
| C12 | C15 | C16 | 129.7° | 125.8° |
| N7 | C15 | C16 | 119.3° | 125.8° |
| C15 | C16 | H18 | 109.5° | 109.5° |
| C15 | C16 | H19 | 109.5° | 109.4° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H5 | C3 | H6 | 109.5° | 110.4° |
| H7 | N3 | H8 | 109.4° | 120.0° |
| H9 | C4 | H10 | 109.5° | 110.4° |
| H11 | C5 | H12 | 109.5° | 110.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H15 | C14 | H17 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.5° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H21 | C18 | H23 | 109.5° | 109.5° |
| H22 | C18 | H23 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C3 | C2 | H5 | 119.2° | 118.9° |
| C4 | C3 | C2 | H6 | 119.2° | 118.8° |
| C4 | C3 | C2 | C1 | 151.1° | 142.6° |
| C3 | C4 | C5 | H9 | 118.8° | 118.9° |
| C3 | C4 | C5 | H10 | 118.8° | 118.9° |
| C4 | C3 | C2 | N1 | 30.6° | 23.9° |
| C3 | C4 | C5 | N1 | 34.5° | 23.8° |
| C4 | C3 | C2 | H4 | 85.6° | 95.0° |
| C4 | C3 | H5 | H6 | 122.3° | 122.2° |
| C3 | C4 | H9 | H10 | 123.3° | 122.1° |
| C3 | C4 | C5 | H11 | 84.4° | 94.9° |
| C3 | C4 | C5 | H12 | 153.5° | 142.6° |
| C3 | C2 | C1 | N1 | 113.9° | 115.2° |
| C3 | C2 | C1 | H4 | 123.2° | 122.5° |
| C2 | C3 | C4 | C5 | 41.4° | 0.0° |
| C3 | C2 | N1 | H4 | 115.5° | 118.9° |
| C3 | C2 | N1 | C5 | 9.0° | 39.5° |
| C3 | C2 | N1 | C6 | 172.5° | 159.1° |
| C3 | C2 | C1 | H1 | 180.0° | 175.2° |
| C3 | C2 | C1 | H2 | 60.0° | 64.8° |
| C3 | C2 | C1 | H3 | 60.0° | 55.2° |
| C2 | C3 | H5 | H6 | 122.4° | 122.2° |
| C2 | C3 | C4 | H9 | 160.2° | 118.9° |
| C2 | C3 | C4 | H10 | 77.5° | 118.9° |
| C1 | C2 | N1 | H4 | 122.5° | 122.3° |
| C1 | C2 | N1 | C5 | 131.0° | 158.3° |
| C1 | C2 | N1 | C6 | 50.5° | 82.1° |
| 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 | H5 | 89.7° | 23.8° |
| C1 | C2 | C3 | H6 | 31.9° | 98.5° |
| C4 | C5 | N1 | C2 | 16.3° | 39.5° |
| C4 | C5 | N1 | H11 | 118.9° | 118.8° |
| C4 | C5 | N1 | H12 | 118.9° | 118.8° |
| C4 | C5 | N1 | C6 | 162.2° | 159.0° |
| C5 | C4 | C3 | H5 | 160.6° | 118.9° |
| C5 | C4 | C3 | H6 | 77.8° | 118.9° |
| C5 | C4 | H9 | H10 | 123.4° | 122.2° |
| C4 | C5 | H11 | H12 | 123.1° | 122.5° |
| C2 | N1 | C5 | C6 | 178.5° | 119.6° |
| C2 | N1 | C6 | N9 | 145.5° | 120.0° |
| C2 | N1 | C6 | C7 | 33.9° | 60.0° |
| N1 | C2 | C1 | H1 | 66.1° | 60.0° |
| N1 | C2 | C1 | H2 | 173.9° | 180.0° |
| N1 | C2 | C1 | H3 | 53.9° | 60.0° |
| N1 | C2 | C3 | H5 | 149.8° | 95.0° |
| N1 | C2 | C3 | H6 | 88.6° | 142.7° |
| C2 | N1 | C5 | H11 | 102.6° | 79.3° |
| C2 | N1 | C5 | H12 | 135.2° | 158.3° |
| C5 | N1 | C6 | N9 | 36.2° | 124.6° |
| C5 | N1 | C6 | C7 | 144.4° | 55.4° |
| C5 | N1 | C2 | H4 | 106.5° | 79.4° |
| N1 | C5 | C4 | H9 | 153.3° | 95.0° |
| N1 | C5 | C4 | H10 | 84.3° | 142.8° |
| N1 | C5 | H11 | H12 | 123.1° | 122.4° |
| N1 | C6 | N9 | C18 | 2.7° | 0.0° |
| N1 | C6 | N9 | C7 | 179.5° | 180.0° |
| N1 | C6 | N9 | C17 | 179.9° | 180.0° |
| N1 | C6 | C7 | C8 | 1.1° | 0.0° |
| N1 | C6 | C7 | C9 | 179.8° | 180.0° |
| C6 | N1 | C2 | H4 | 72.0° | 40.2° |
| C6 | N1 | C5 | H11 | 78.9° | 40.3° |
| C6 | N1 | C5 | H12 | 43.3° | 82.1° |
| C18 | N9 | C6 | C17 | 177.2° | 180.0° |
| C18 | N9 | C6 | C7 | 176.9° | 180.0° |
| C18 | N9 | C17 | C9 | 177.6° | 180.0° |
| C18 | N9 | C17 | N8 | 2.2° | 0.1° |
| N9 | C18 | H21 | H22 | 120.0° | 120.0° |
| N9 | C18 | H21 | H23 | 120.0° | 120.0° |
| N9 | C18 | H22 | H23 | 120.0° | 120.0° |
| N9 | C6 | C7 | C8 | 178.3° | 180.0° |
| N9 | C6 | C7 | C9 | 0.7° | 0.0° |
| C6 | N9 | C17 | C9 | 0.2° | 0.0° |
| C6 | N9 | C17 | N8 | 179.6° | 179.9° |
| C6 | N9 | C18 | H21 | 180.0° | 90.0° |
| C6 | N9 | C18 | H22 | 60.0° | 150.0° |
| C6 | N9 | C18 | H23 | 60.0° | 30.0° |
| C6 | C7 | C8 | N2 | 145.2° | 90.7° |
| C7 | C6 | N9 | C17 | 0.4° | 0.0° |
| C6 | C7 | C8 | C9 | 178.9° | 180.0° |
| C6 | C7 | C9 | C17 | 0.8° | 0.0° |
| C6 | C7 | C9 | C10 | 179.0° | 180.0° |
| N2 | C8 | C7 | C9 | 33.7° | 89.3° |
| N9 | C17 | C9 | C7 | 0.6° | 0.0° |
| N9 | C17 | C9 | N8 | 179.8° | 179.9° |
| N9 | C17 | C9 | C10 | 179.2° | 180.0° |
| N9 | C17 | N8 | C11 | 179.2° | 180.0° |
| C17 | N9 | C18 | H21 | 3.1° | 90.0° |
| C17 | N9 | C18 | H22 | 116.9° | 30.0° |
| C17 | N9 | C18 | H23 | 123.1° | 149.9° |
| C8 | C7 | C9 | C17 | 178.3° | 180.0° |
| C8 | C7 | C9 | C10 | 0.1° | 0.0° |
| C7 | C9 | C17 | C10 | 178.6° | 180.0° |
| C7 | C9 | C17 | N8 | 179.1° | 179.9° |
| C7 | C9 | C10 | N3 | 0.2° | 0.0° |
| C7 | C9 | C10 | N4 | 177.4° | 180.0° |
| C9 | C17 | N8 | C11 | 0.5° | 0.1° |
| C17 | C9 | C10 | N3 | 178.3° | 180.0° |
| C17 | C9 | C10 | N4 | 0.6° | 0.0° |
| N8 | C17 | C9 | C10 | 0.5° | 0.1° |
| C17 | N8 | C11 | N4 | 0.6° | 0.1° |
| C17 | N8 | C11 | N5 | 178.5° | 179.9° |
| C9 | C10 | N3 | N4 | 177.6° | 180.0° |
| C9 | C10 | N4 | C11 | 1.7° | 0.0° |
| C9 | C10 | N3 | H7 | 177.6° | 0.1° |
| C9 | C10 | N3 | H8 | 62.4° | 180.0° |
| N8 | C11 | N4 | C10 | 1.8° | 0.0° |
| N8 | C11 | N4 | N5 | 179.2° | 180.0° |
| N8 | C11 | N5 | C12 | 17.2° | 180.0° |
| N8 | C11 | N5 | H13 | 162.8° | 0.1° |
| N3 | C10 | N4 | C11 | 179.5° | 180.0° |
| C10 | N3 | H7 | H8 | 120.0° | 179.9° |
| C10 | N4 | C11 | N5 | 177.3° | 180.0° |
| N4 | C10 | N3 | H7 | 0.0° | 180.0° |
| N4 | C10 | N3 | H8 | 120.0° | 0.0° |
| N4 | C11 | N5 | C12 | 162.1° | 0.0° |
| N4 | C11 | N5 | H13 | 18.0° | 180.0° |
| C11 | N5 | C12 | C13 | 24.8° | 0.0° |
| C11 | N5 | C12 | H13 | 180.0° | 179.9° |
| C11 | N5 | C12 | C15 | 158.3° | 179.9° |
| N6 | C13 | C12 | H14 | 180.0° | 179.9° |
| C13 | N6 | C14 | N7 | 179.2° | 179.7° |
| N6 | C13 | C12 | N5 | 177.8° | 180.0° |
| N6 | C13 | C12 | C15 | 0.4° | 0.0° |
| C13 | N6 | N7 | C15 | 1.1° | 0.0° |
| C13 | N6 | C14 | H15 | 179.2° | 90.3° |
| C13 | N6 | C14 | H16 | 59.2° | 29.8° |
| C13 | N6 | C14 | H17 | 60.8° | 149.7° |
| C12 | C13 | N6 | C14 | 179.8° | 179.7° |
| C12 | C13 | N6 | N7 | 1.0° | 0.0° |
| C13 | C12 | N5 | C15 | 176.9° | 180.0° |
| C13 | C12 | C15 | N7 | 0.3° | 0.0° |
| C13 | C12 | C15 | C16 | 178.9° | 180.0° |
| C13 | C12 | N5 | H13 | 155.2° | 180.0° |
| C14 | N6 | N7 | C15 | 179.6° | 179.8° |
| C14 | N6 | C13 | H14 | 0.2° | 0.2° |
| N6 | C14 | H15 | H16 | 120.0° | 120.0° |
| N6 | C14 | H15 | H17 | 120.0° | 120.0° |
| N6 | C14 | H16 | H17 | 119.9° | 119.9° |
| N6 | N7 | C15 | C12 | 0.8° | 0.0° |
| N6 | N7 | C15 | C16 | 178.4° | 180.0° |
| N7 | N6 | C13 | H14 | 179.0° | 180.0° |
| N7 | N6 | C14 | H15 | 0.0° | 90.0° |
| N7 | N6 | C14 | H16 | 120.0° | 150.0° |
| N7 | N6 | C14 | H17 | 120.0° | 30.1° |
| N5 | C12 | C15 | N7 | 177.3° | 180.0° |
| N5 | C12 | C15 | C16 | 3.6° | 0.0° |
| N5 | C12 | C13 | H14 | 2.2° | 0.1° |
| C12 | C15 | N7 | C16 | 179.2° | 180.0° |
| C15 | C12 | N5 | H13 | 21.8° | 0.0° |
| C15 | C12 | C13 | H14 | 179.6° | 180.0° |
| C12 | C15 | C16 | H18 | 179.1° | 90.0° |
| C12 | C15 | C16 | H19 | 59.1° | 30.0° |
| C12 | C15 | C16 | H20 | 60.9° | 150.0° |
| N7 | C15 | C16 | H18 | 0.0° | 90.0° |
| N7 | C15 | C16 | H19 | 120.0° | 150.0° |
| N7 | C15 | C16 | H20 | 120.0° | 30.0° |
| C15 | C16 | H18 | H19 | 120.0° | 120.0° |
| C15 | C16 | H18 | H20 | 120.0° | 120.0° |
| C15 | C16 | H19 | H20 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 56.8° | 62.3° |
| H2 | C1 | C2 | H4 | 63.2° | 57.7° |
| H3 | C1 | C2 | H4 | 176.8° | 177.7° |
| H4 | C2 | C3 | H5 | 33.6° | 146.1° |
| H4 | C2 | C3 | H6 | 155.2° | 23.9° |
| H5 | C3 | C4 | H9 | 80.6° | 0.0° |
| H5 | C3 | C4 | H10 | 41.7° | 122.2° |
| H6 | C3 | C4 | H9 | 41.0° | 122.2° |
| H6 | C3 | C4 | H10 | 163.4° | 0.1° |
| H9 | C4 | C5 | H11 | 34.4° | 146.2° |
| H9 | C4 | C5 | H12 | 87.7° | 23.8° |
| H10 | C4 | C5 | H11 | 156.8° | 24.0° |
| H10 | C4 | C5 | H12 | 34.7° | 98.5° |
| H15 | C14 | H16 | H17 | 120.0° | 120.0° |
| H18 | C16 | H19 | H20 | 120.0° | 120.0° |
| H21 | C18 | H22 | H23 | 120.0° | 120.0° |
