LI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.40Å | 1.47Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.47Å | |
| C6 | N7 | sing | 1.39Å | 1.41Å | |
| C6 | C1 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | O18 | doub | 1.22Å | 1.29Å | |
| C8 | C9 | sing | 1.48Å | 1.51Å | |
| C8 | N7 | sing | 1.34Å | 1.36Å | |
| C13 | C12 | doub | 1.37Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C15 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C9 | N10 | doub | 1.31Å | 1.37Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C2 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| N10 | C11 | sing | 1.36Å | 1.40Å | |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C14 | O17 | sing | 1.36Å | 1.31Å | |
| O17 | H17 | sing | 0.97Å | 0.95Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 117.1° | 119.8° |
| C5 | C4 | H4 | 121.4° | 120.1° |
| C4 | C5 | C6 | 124.9° | 120.3° |
| C4 | C5 | C9 | 130.2° | 133.2° |
| C3 | C4 | H4 | 121.5° | 120.2° |
| C4 | C3 | C2 | 120.6° | 120.1° |
| C4 | C3 | H3 | 119.1° | 119.9° |
| C6 | C5 | C9 | 104.9° | 106.4° |
| C5 | C6 | N7 | 112.1° | 109.4° |
| C5 | C6 | C1 | 115.1° | 119.0° |
| C5 | C9 | C8 | 104.6° | 104.9° |
| C5 | C9 | N10 | 119.5° | 127.5° |
| N7 | C6 | C1 | 132.9° | 131.6° |
| C6 | N7 | C8 | 106.9° | 111.4° |
| C6 | N7 | HN7 | 127.7° | 124.3° |
| C6 | C1 | C2 | 120.2° | 120.2° |
| C6 | C1 | H1 | 119.8° | 119.9° |
| O18 | C8 | C9 | 127.4° | 126.1° |
| O18 | C8 | N7 | 121.0° | 126.1° |
| C9 | C8 | N7 | 111.6° | 107.8° |
| C8 | C9 | N10 | 135.9° | 127.6° |
| C8 | N7 | HN7 | 125.4° | 124.2° |
| C12 | C13 | C14 | 118.6° | 120.1° |
| C12 | C13 | H13 | 120.8° | 120.0° |
| C13 | C12 | C11 | 120.6° | 119.9° |
| C13 | C12 | H12 | 119.7° | 120.0° |
| C14 | C13 | H13 | 120.6° | 119.9° |
| C13 | C14 | C15 | 120.1° | 120.3° |
| C13 | C14 | O17 | 123.4° | 119.9° |
| C14 | C15 | C16 | 121.4° | 120.1° |
| C14 | C15 | H15 | 119.3° | 120.0° |
| C15 | C14 | O17 | 116.6° | 119.8° |
| C16 | C15 | H15 | 119.3° | 119.9° |
| C15 | C16 | C11 | 119.6° | 119.9° |
| C15 | C16 | H16 | 119.9° | 120.1° |
| C9 | N10 | C11 | 132.2° | 120.0° |
| C2 | C3 | H3 | 120.3° | 120.0° |
| C3 | C2 | C1 | 122.1° | 120.6° |
| C3 | C2 | H2 | 118.9° | 119.7° |
| C1 | C2 | H2 | 119.0° | 119.7° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| N10 | C11 | C12 | 118.7° | 120.1° |
| N10 | C11 | C16 | 121.4° | 120.1° |
| C12 | C11 | C16 | 119.5° | 119.7° |
| C11 | C12 | H12 | 119.7° | 120.1° |
| C11 | C16 | H16 | 120.4° | 120.1° |
| C14 | O17 | H17 | 123.4° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C4 | C5 | C6 | C9 | 179.6° | 179.3° |
| C4 | C5 | C6 | N7 | 179.6° | 179.7° |
| C4 | C5 | C6 | C1 | 0.4° | 0.6° |
| C4 | C5 | C9 | C8 | 179.9° | 179.5° |
| C4 | C5 | C9 | N10 | 3.3° | 0.8° |
| C5 | C4 | C3 | C2 | 0.0° | 0.3° |
| C5 | C4 | C3 | H3 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.2° | 0.6° |
| C3 | C4 | C5 | C9 | 179.7° | 179.6° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.0° | 0.0° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 179.8° | 179.7° |
| H4 | C4 | C5 | C9 | 0.3° | 0.7° |
| H4 | C4 | C3 | C2 | 180.0° | 180.0° |
| H4 | C4 | C3 | H3 | 0.0° | 0.0° |
| C5 | C6 | N7 | C1 | 179.9° | 179.7° |
| C6 | C5 | C9 | C8 | 0.3° | 0.4° |
| C5 | C6 | N7 | C8 | 0.4° | 0.3° |
| C6 | C5 | C9 | N10 | 177.2° | 179.9° |
| C5 | C6 | N7 | HN7 | 179.6° | 179.8° |
| C5 | C6 | C1 | C2 | 0.3° | 0.3° |
| C5 | C6 | C1 | H1 | 179.7° | 179.7° |
| C9 | C5 | C6 | N7 | 0.0° | 0.4° |
| C9 | C5 | C6 | C1 | 179.9° | 179.9° |
| C5 | C9 | C8 | O18 | 179.6° | 179.7° |
| C5 | C9 | C8 | N10 | 176.0° | 179.8° |
| C5 | C9 | C8 | N7 | 0.6° | 0.2° |
| C5 | C9 | N10 | C11 | 174.2° | 179.7° |
| C6 | N7 | C8 | O18 | 179.7° | 180.0° |
| C6 | N7 | C8 | C9 | 0.6° | 0.1° |
| C6 | N7 | C8 | HN7 | 179.9° | 179.9° |
| N7 | C6 | C1 | C2 | 179.6° | 180.0° |
| N7 | C6 | C1 | H1 | 0.4° | 0.1° |
| C1 | C6 | N7 | C8 | 179.7° | 180.0° |
| C1 | C6 | N7 | HN7 | 0.4° | 0.1° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | H2 | 179.8° | 179.9° |
| O18 | C8 | C9 | N7 | 179.0° | 179.9° |
| O18 | C8 | C9 | N10 | 4.4° | 0.0° |
| O18 | C8 | N7 | HN7 | 0.3° | 0.1° |
| C9 | C8 | N7 | HN7 | 179.3° | 180.0° |
| C8 | C9 | N10 | C11 | 10.2° | 0.0° |
| N7 | C8 | C9 | N10 | 176.6° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.2° | 0.3° |
| C13 | C12 | C11 | N10 | 175.9° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 3.1° | 0.0° |
| C12 | C13 | C14 | O17 | 179.0° | 180.0° |
| C13 | C14 | C15 | O17 | 179.3° | 179.7° |
| C13 | C14 | C15 | C16 | 0.2° | 0.6° |
| C13 | C14 | C15 | H15 | 179.8° | 179.9° |
| C14 | C13 | C12 | C11 | 1.9° | 0.0° |
| C14 | C13 | C12 | H12 | 178.1° | 180.0° |
| C13 | C14 | O17 | H17 | 179.9° | 90.0° |
| H13 | C13 | C14 | C15 | 179.8° | 179.7° |
| H13 | C13 | C12 | C11 | 178.1° | 180.0° |
| H13 | C13 | C12 | H12 | 1.9° | 0.0° |
| H13 | C13 | C14 | O17 | 0.9° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | C11 | 1.0° | 0.5° |
| C15 | C14 | O17 | H17 | 0.7° | 90.3° |
| C14 | C15 | C16 | H16 | 178.9° | 179.7° |
| C15 | C16 | C11 | N10 | 175.3° | 179.7° |
| C15 | C16 | C11 | C12 | 2.7° | 0.2° |
| C15 | C16 | C11 | H16 | 179.9° | 179.8° |
| C16 | C15 | C14 | O17 | 179.5° | 179.7° |
| H15 | C15 | C16 | C11 | 179.0° | 180.0° |
| H15 | C15 | C14 | O17 | 0.5° | 0.3° |
| H15 | C15 | C16 | H16 | 1.1° | 0.2° |
| C9 | N10 | C11 | C12 | 177.8° | 135.0° |
| C9 | N10 | C11 | C16 | 5.1° | 45.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| H3 | C3 | C2 | C1 | 180.0° | 180.0° |
| H3 | C3 | C2 | H2 | 0.0° | 0.1° |
| H2 | C2 | C1 | H1 | 0.2° | 0.0° |
| N10 | C11 | C12 | C16 | 172.8° | 180.0° |
| N10 | C11 | C12 | H12 | 4.0° | 0.0° |
| N10 | C11 | C16 | H16 | 4.6° | 0.1° |
| C12 | C11 | C16 | H16 | 177.3° | 180.0° |
| C16 | C11 | C12 | H12 | 176.8° | 180.0° |
