U1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C23 | sing | 1.45Å | 1.48Å | |
| C1 | C2 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | C8 | sing | 1.54Å | 1.52Å | |
| C7 | H71 | sing | 1.10Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C9 | N12 | sing | 1.44Å | 1.49Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.10Å | 1.10Å | |
| N12 | C13 | sing | 1.46Å | 1.48Å | |
| N12 | HN12 | sing | 1.02Å | 1.00Å | |
| C13 | C14 | sing | 1.52Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C16 | sing | 1.49Å | 1.53Å | |
| C14 | O15 | doub | 1.23Å | 1.22Å | |
| C16 | C22 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | F20 | sing | 1.34Å | 1.32Å | |
| C19 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | O25 | doub | 1.24Å | 1.21Å | |
| C23 | N24 | sing | 1.39Å | 1.42Å | |
| N24 | H241 | sing | 1.01Å | 1.00Å | |
| N24 | H242 | sing | 1.02Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C23 | 116.6° | 120.0° |
| C6 | C1 | C2 | 119.7° | 120.0° |
| C1 | C6 | C5 | 120.6° | 120.0° |
| C1 | C6 | H6 | 119.7° | 120.7° |
| C23 | C1 | C2 | 123.7° | 120.0° |
| C1 | C23 | O25 | 123.2° | 121.4° |
| C1 | C23 | N24 | 121.1° | 117.7° |
| C1 | C2 | C3 | 118.9° | 120.0° |
| C1 | C2 | H2 | 120.5° | 120.6° |
| C3 | C2 | H2 | 120.5° | 119.4° |
| C2 | C3 | C4 | 121.0° | 119.4° |
| C2 | C3 | H3 | 119.5° | 119.5° |
| C4 | C3 | H3 | 119.5° | 121.1° |
| C3 | C4 | C5 | 119.5° | 121.2° |
| C3 | C4 | C7 | 121.7° | 119.4° |
| C5 | C4 | C7 | 118.8° | 119.4° |
| C4 | C5 | C6 | 120.3° | 119.4° |
| C4 | C5 | H5 | 119.8° | 121.1° |
| C4 | C7 | C8 | 113.2° | 113.9° |
| C4 | C7 | H71 | 108.2° | 110.2° |
| C4 | C7 | H72 | 107.4° | 108.0° |
| C6 | C5 | H5 | 119.8° | 119.5° |
| C5 | C6 | H6 | 119.7° | 119.4° |
| C8 | C7 | H71 | 108.2° | 110.2° |
| C8 | C7 | H72 | 107.4° | 108.8° |
| C7 | C8 | C9 | 115.0° | 114.5° |
| C7 | C8 | H81 | 107.7° | 109.4° |
| C7 | C8 | H82 | 106.4° | 107.8° |
| H71 | C7 | H72 | 112.5° | 105.3° |
| C9 | C8 | H81 | 107.7° | 109.2° |
| C9 | C8 | H82 | 106.4° | 109.1° |
| C8 | C9 | N12 | 111.9° | 111.3° |
| C8 | C9 | C11 | 106.9° | 110.7° |
| C8 | C9 | H9 | 109.8° | 110.1° |
| H81 | C8 | H82 | 113.9° | 106.5° |
| N12 | C9 | C11 | 110.0° | 109.7° |
| N12 | C9 | H9 | 106.7° | 106.6° |
| C9 | N12 | C13 | 114.9° | 111.4° |
| C9 | N12 | HN12 | 107.7° | 109.9° |
| C11 | C9 | H9 | 111.7° | 108.3° |
| C9 | C11 | H111 | 109.5° | 111.3° |
| C9 | C11 | H112 | 109.4° | 111.0° |
| C9 | C11 | H113 | 109.5° | 110.8° |
| H111 | C11 | H112 | 109.5° | 108.2° |
| H111 | C11 | H113 | 109.4° | 107.4° |
| H112 | C11 | H113 | 109.5° | 108.0° |
| C13 | N12 | HN12 | 107.7° | 108.7° |
| N12 | C13 | C14 | 113.1° | 109.8° |
| N12 | C13 | H131 | 108.3° | 108.8° |
| N12 | C13 | H132 | 107.4° | 108.9° |
| C14 | C13 | H131 | 108.3° | 109.7° |
| C14 | C13 | H132 | 107.4° | 109.4° |
| C13 | C14 | C16 | 120.2° | 118.6° |
| C13 | C14 | O15 | 123.1° | 122.2° |
| H131 | C13 | H132 | 112.4° | 110.3° |
| C16 | C14 | O15 | 116.6° | 119.2° |
| C14 | C16 | C22 | 118.0° | 118.6° |
| C14 | C16 | C17 | 123.4° | 118.6° |
| C22 | C16 | C17 | 118.6° | 122.8° |
| C16 | C22 | C21 | 120.9° | 118.6° |
| C16 | C22 | H22 | 119.6° | 122.0° |
| C16 | C17 | C18 | 120.4° | 118.6° |
| C16 | C17 | H17 | 119.8° | 122.0° |
| C18 | C17 | H17 | 119.8° | 119.4° |
| C17 | C18 | C19 | 119.5° | 120.0° |
| C17 | C18 | H18 | 120.3° | 120.0° |
| C19 | C18 | H18 | 120.3° | 119.9° |
| C18 | C19 | F20 | 119.2° | 120.1° |
| C18 | C19 | C21 | 121.4° | 120.0° |
| F20 | C19 | C21 | 119.4° | 119.9° |
| C19 | C21 | C22 | 119.2° | 120.0° |
| C19 | C21 | H21 | 120.4° | 120.0° |
| C22 | C21 | H21 | 120.4° | 120.0° |
| C21 | C22 | H22 | 119.5° | 119.4° |
| O25 | C23 | N24 | 115.6° | 120.9° |
| C23 | N24 | H241 | 111.1° | 119.3° |
| C23 | N24 | H242 | 124.4° | 121.5° |
| H241 | N24 | H242 | 124.5° | 119.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C23 | C2 | 179.1° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C6 | C1 | C2 | H2 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.0° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C6 | C1 | C23 | O25 | 0.3° | 0.9° |
| C6 | C1 | C23 | N24 | 179.3° | 179.9° |
| C23 | C1 | C2 | C3 | 179.3° | 180.0° |
| C23 | C1 | C2 | H2 | 0.7° | 0.2° |
| C23 | C1 | C6 | C5 | 179.2° | 180.0° |
| C23 | C1 | C6 | H6 | 0.8° | 0.1° |
| C1 | C23 | O25 | N24 | 179.6° | 179.0° |
| C1 | C23 | N24 | H241 | 179.8° | 0.0° |
| C1 | C23 | N24 | H242 | 0.2° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | C23 | O25 | 179.4° | 179.0° |
| C2 | C1 | C23 | N24 | 0.2° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C2 | C3 | C4 | C7 | 179.8° | 179.9° |
| H2 | C2 | C3 | C4 | 179.7° | 179.9° |
| H2 | C2 | C3 | H3 | 0.3° | 0.1° |
| C3 | C4 | C5 | C7 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C7 | C8 | 49.6° | 90.0° |
| C3 | C4 | C7 | H71 | 70.4° | 145.6° |
| C3 | C4 | C7 | H72 | 167.9° | 31.0° |
| H3 | C3 | C4 | C5 | 179.8° | 180.0° |
| H3 | C3 | C4 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C5 | C4 | C7 | C8 | 130.4° | 90.0° |
| C5 | C4 | C7 | H71 | 109.6° | 34.4° |
| C5 | C4 | C7 | H72 | 12.0° | 149.0° |
| C7 | C4 | C5 | C6 | 179.9° | 179.9° |
| C7 | C4 | C5 | H5 | 0.1° | 0.1° |
| C4 | C7 | C8 | H71 | 120.0° | 124.4° |
| C4 | C7 | C8 | H72 | 118.3° | 120.5° |
| C4 | C7 | H71 | H72 | 118.4° | 116.2° |
| C4 | C7 | C8 | C9 | 74.8° | 177.1° |
| C4 | C7 | C8 | H81 | 165.2° | 60.0° |
| C4 | C7 | C8 | H82 | 42.7° | 55.4° |
| H5 | C5 | C6 | H6 | 0.0° | 0.1° |
| C8 | C7 | H71 | H72 | 118.5° | 117.2° |
| C7 | C8 | C9 | H81 | 120.0° | 123.0° |
| C7 | C8 | C9 | H82 | 117.5° | 120.9° |
| C7 | C8 | H81 | H82 | 117.7° | 116.3° |
| C7 | C8 | C9 | N12 | 30.0° | 59.3° |
| C7 | C8 | C9 | C11 | 150.5° | 63.1° |
| C7 | C8 | C9 | H9 | 88.2° | 177.2° |
| H71 | C7 | C8 | C9 | 165.2° | 58.5° |
| H71 | C7 | C8 | H81 | 45.2° | 64.4° |
| H71 | C7 | C8 | H82 | 77.3° | 179.8° |
| H72 | C7 | C8 | C9 | 43.6° | 56.5° |
| H72 | C7 | C8 | H81 | 76.4° | 179.4° |
| H72 | C7 | C8 | H82 | 161.1° | 65.1° |
| C9 | C8 | H81 | H82 | 117.7° | 117.7° |
| C8 | C9 | N12 | C11 | 118.7° | 122.9° |
| C8 | C9 | N12 | H9 | 120.0° | 120.1° |
| C8 | C9 | C11 | H9 | 120.1° | 120.8° |
| C8 | C9 | C11 | H111 | 10.2° | 57.1° |
| C8 | C9 | C11 | H112 | 109.8° | 177.7° |
| C8 | C9 | C11 | H113 | 130.2° | 62.3° |
| C8 | C9 | N12 | C13 | 157.2° | 56.7° |
| C8 | C9 | N12 | HN12 | 37.3° | 177.2° |
| H81 | C8 | C9 | N12 | 90.0° | 177.7° |
| H81 | C8 | C9 | C11 | 30.5° | 59.9° |
| H81 | C8 | C9 | H9 | 151.7° | 59.7° |
| H82 | C8 | C9 | N12 | 147.5° | 61.6° |
| H82 | C8 | C9 | C11 | 92.0° | 176.0° |
| H82 | C8 | C9 | H9 | 29.3° | 56.4° |
| N12 | C9 | C11 | H9 | 118.3° | 116.0° |
| N12 | C9 | C11 | H111 | 131.9° | 66.1° |
| N12 | C9 | C11 | H112 | 11.8° | 54.5° |
| N12 | C9 | C11 | H113 | 108.1° | 174.5° |
| C9 | N12 | C13 | HN12 | 120.0° | 121.2° |
| C9 | N12 | C13 | C14 | 71.5° | 178.8° |
| C9 | N12 | C13 | H131 | 168.5° | 58.8° |
| C9 | N12 | C13 | H132 | 46.9° | 61.4° |
| C9 | C11 | H111 | H112 | 120.0° | 122.2° |
| C9 | C11 | H111 | H113 | 120.0° | 121.4° |
| C9 | C11 | H112 | H113 | 120.0° | 121.6° |
| C11 | C9 | N12 | C13 | 84.1° | 179.6° |
| C11 | C9 | N12 | HN12 | 155.9° | 59.9° |
| H9 | C9 | C11 | H111 | 109.9° | 177.9° |
| H9 | C9 | C11 | H112 | 130.1° | 61.5° |
| H9 | C9 | C11 | H113 | 10.1° | 58.5° |
| H9 | C9 | N12 | C13 | 37.2° | 63.4° |
| H9 | C9 | N12 | HN12 | 82.8° | 57.1° |
| H111 | C11 | H112 | H113 | 120.0° | 116.0° |
| N12 | C13 | C14 | H131 | 120.0° | 119.5° |
| N12 | C13 | C14 | H132 | 118.4° | 119.4° |
| N12 | C13 | H131 | H132 | 118.5° | 119.4° |
| N12 | C13 | C14 | C16 | 98.6° | 149.4° |
| N12 | C13 | C14 | O15 | 82.0° | 30.5° |
| HN12 | N12 | C13 | C14 | 48.4° | 60.0° |
| HN12 | N12 | C13 | H131 | 71.6° | 180.0° |
| HN12 | N12 | C13 | H132 | 166.9° | 59.7° |
| C14 | C13 | H131 | H132 | 118.5° | 120.5° |
| C13 | C14 | C16 | O15 | 179.4° | 179.9° |
| C13 | C14 | C16 | C22 | 151.5° | 150.0° |
| C13 | C14 | C16 | C17 | 28.4° | 30.0° |
| H131 | C13 | C14 | C16 | 21.4° | 29.9° |
| H131 | C13 | C14 | O15 | 157.9° | 150.0° |
| H132 | C13 | C14 | C16 | 143.0° | 91.1° |
| H132 | C13 | C14 | O15 | 36.4° | 89.0° |
| C14 | C16 | C22 | C17 | 179.9° | 179.9° |
| C14 | C16 | C17 | C18 | 179.9° | 180.0° |
| C14 | C16 | C17 | H17 | 0.1° | 0.0° |
| C14 | C16 | C22 | C21 | 180.0° | 180.0° |
| C14 | C16 | C22 | H22 | 0.0° | 0.1° |
| O15 | C14 | C16 | C22 | 27.9° | 29.9° |
| O15 | C14 | C16 | C17 | 152.2° | 150.1° |
| C22 | C16 | C17 | C18 | 0.1° | 0.0° |
| C22 | C16 | C17 | H17 | 179.8° | 180.0° |
| C16 | C22 | C21 | C19 | 0.2° | 0.0° |
| C16 | C22 | C21 | H22 | 180.0° | 179.9° |
| C16 | C22 | C21 | H21 | 179.9° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.4° | 0.0° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| C17 | C16 | C22 | C21 | 0.0° | 0.0° |
| C17 | C16 | C22 | H22 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | F20 | 179.5° | 180.0° |
| C17 | C18 | C19 | C21 | 0.5° | 0.1° |
| H17 | C17 | C18 | C19 | 179.6° | 180.0° |
| H17 | C17 | C18 | H18 | 0.4° | 0.0° |
| C18 | C19 | F20 | C21 | 180.0° | 179.9° |
| C18 | C19 | C21 | C22 | 0.4° | 0.1° |
| C18 | C19 | C21 | H21 | 179.6° | 180.0° |
| H18 | C18 | C19 | F20 | 0.5° | 0.1° |
| H18 | C18 | C19 | C21 | 179.5° | 180.0° |
| F20 | C19 | C21 | C22 | 179.6° | 180.0° |
| F20 | C19 | C21 | H21 | 0.4° | 0.1° |
| C19 | C21 | C22 | H21 | 180.0° | 179.9° |
| C19 | C21 | C22 | H22 | 179.8° | 179.9° |
| H21 | C21 | C22 | H22 | 0.1° | 0.0° |
| O25 | C23 | N24 | H241 | 0.2° | 179.1° |
| O25 | C23 | N24 | H242 | 179.8° | 1.0° |
| C23 | N24 | H241 | H242 | 180.0° | 180.0° |
