LGH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C8 | sing | 1.48Å | 1.44Å | Aromatic |
| C16 | C9 | sing | 1.47Å | 1.47Å | |
| C15 | C9 | doub | 1.37Å | 1.37Å | Aromatic |
| C9 | C14 | sing | 1.48Å | 1.41Å | Aromatic |
| N24 | C10 | sing | 1.40Å | 1.40Å | |
| C10 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N26 | sing | 1.48Å | 1.41Å | |
| O31 | C12 | sing | 1.36Å | 1.37Å | |
| C13 | CL32 | sing | 1.74Å | 1.72Å | |
| C14 | N23 | doub | 1.31Å | 1.34Å | Aromatic |
| C21 | C15 | sing | 1.51Å | 1.47Å | |
| C15 | O30 | sing | 1.34Å | 1.36Å | Aromatic |
| O28 | C16 | doub | 1.22Å | 1.23Å | |
| C16 | N25 | sing | 1.35Å | 1.40Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| N24 | C17 | sing | 1.47Å | 1.48Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C20 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | N24 | sing | 1.47Å | 1.47Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N25 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | N25 | sing | 1.47Å | 1.46Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | O31 | sing | 1.43Å | 1.43Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| O30 | N23 | sing | 1.21Å | 1.39Å | Aromatic |
| O27 | N26 | doub | 1.22Å | 1.26Å | |
| N26 | O29 | sing | 1.22Å | 1.26Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 119.8° | 120.2° |
| C2 | C1 | H1 | 120.1° | 119.9° |
| C1 | C2 | C6 | 120.2° | 120.3° |
| C1 | C2 | H2 | 119.9° | 119.8° |
| C3 | C1 | H1 | 120.1° | 119.9° |
| C1 | C3 | C8 | 120.1° | 120.0° |
| C1 | C3 | H3 | 120.0° | 120.0° |
| C6 | C2 | H2 | 119.9° | 119.9° |
| C2 | C6 | C12 | 119.9° | 120.1° |
| C2 | C6 | H6 | 120.1° | 120.0° |
| C8 | C3 | H3 | 120.0° | 120.0° |
| C3 | C8 | C12 | 120.0° | 119.6° |
| C3 | C8 | C14 | 119.1° | 120.2° |
| C10 | C4 | C5 | 120.5° | 119.9° |
| C10 | C4 | H4 | 119.8° | 120.1° |
| C4 | C10 | N24 | 117.4° | 120.0° |
| C4 | C10 | C13 | 119.6° | 119.8° |
| C5 | C4 | H4 | 119.8° | 120.0° |
| C4 | C5 | C11 | 119.6° | 120.1° |
| C4 | C5 | H5 | 120.2° | 120.0° |
| C11 | C5 | H5 | 120.2° | 119.9° |
| C5 | C11 | C7 | 120.4° | 120.1° |
| C5 | C11 | N26 | 119.9° | 120.0° |
| C12 | C6 | H6 | 120.0° | 120.0° |
| C6 | C12 | C8 | 120.0° | 119.8° |
| C6 | C12 | O31 | 118.8° | 120.1° |
| C13 | C7 | C11 | 119.8° | 120.1° |
| C13 | C7 | H7 | 120.1° | 120.0° |
| C7 | C13 | C10 | 120.2° | 119.9° |
| C7 | C13 | CL32 | 117.5° | 120.0° |
| C11 | C7 | H7 | 120.1° | 119.9° |
| C7 | C11 | N26 | 119.7° | 119.9° |
| C12 | C8 | C14 | 120.9° | 120.2° |
| C8 | C12 | O31 | 121.2° | 120.1° |
| C8 | C14 | C9 | 127.4° | 127.5° |
| C8 | C14 | N23 | 120.5° | 127.4° |
| C16 | C9 | C15 | 125.5° | 128.6° |
| C16 | C9 | C14 | 130.9° | 128.5° |
| C9 | C16 | O28 | 115.5° | 120.0° |
| C9 | C16 | N25 | 120.3° | 120.0° |
| C15 | C9 | C14 | 103.7° | 102.9° |
| C9 | C15 | C21 | 133.9° | 126.7° |
| C9 | C15 | O30 | 109.9° | 106.6° |
| C9 | C14 | N23 | 112.1° | 105.1° |
| N24 | C10 | C13 | 123.0° | 120.1° |
| C10 | N24 | C17 | 117.4° | 111.0° |
| C10 | N24 | C18 | 117.5° | 111.0° |
| C10 | C13 | CL32 | 122.4° | 120.0° |
| C11 | N26 | O27 | 119.0° | 120.0° |
| C11 | N26 | O29 | 118.5° | 120.0° |
| C12 | O31 | C22 | 117.7° | 117.0° |
| C14 | N23 | O30 | 105.4° | 112.1° |
| C21 | C15 | O30 | 116.1° | 126.7° |
| C15 | C21 | H21 | 109.5° | 109.5° |
| C15 | C21 | H21A | 109.5° | 109.5° |
| C15 | C21 | H21B | 109.4° | 109.5° |
| C15 | O30 | N23 | 108.9° | 113.4° |
| O28 | C16 | N25 | 124.2° | 120.0° |
| C16 | N25 | C19 | 121.3° | 120.9° |
| C16 | N25 | C20 | 124.3° | 120.9° |
| C19 | C17 | N24 | 113.1° | 109.3° |
| C19 | C17 | H17 | 108.3° | 109.4° |
| C19 | C17 | H17A | 108.3° | 109.5° |
| C17 | C19 | N25 | 113.3° | 108.5° |
| C17 | C19 | H19 | 108.2° | 109.6° |
| C17 | C19 | H19A | 108.2° | 109.7° |
| N24 | C17 | H17 | 108.3° | 109.5° |
| N24 | C17 | H17A | 108.3° | 109.5° |
| C17 | N24 | C18 | 116.5° | 111.3° |
| H17 | C17 | H17A | 110.6° | 109.5° |
| C20 | C18 | N24 | 111.1° | 109.3° |
| C20 | C18 | H18 | 109.0° | 109.5° |
| C20 | C18 | H18A | 108.9° | 109.5° |
| C18 | C20 | N25 | 111.7° | 108.5° |
| C18 | C20 | H20 | 108.8° | 109.6° |
| C18 | C20 | H20A | 108.7° | 109.6° |
| N24 | C18 | H18 | 109.0° | 109.5° |
| N24 | C18 | H18A | 109.0° | 109.5° |
| H18 | C18 | H18A | 110.0° | 109.5° |
| N25 | C19 | H19 | 108.2° | 109.6° |
| N25 | C19 | H19A | 108.2° | 109.8° |
| C19 | N25 | C20 | 114.3° | 118.3° |
| H19 | C19 | H19A | 110.7° | 109.6° |
| N25 | C20 | H20 | 108.7° | 109.6° |
| N25 | C20 | H20A | 108.7° | 109.7° |
| H20 | C20 | H20A | 110.2° | 109.8° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H21 | C21 | H21B | 109.4° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.4° |
| O31 | C22 | H22 | 109.5° | 109.5° |
| O31 | C22 | H22A | 109.5° | 109.4° |
| O31 | C22 | H22B | 109.4° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.5° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.4° |
| O27 | N26 | O29 | 122.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.8° |
| C1 | C2 | C6 | H2 | 180.0° | 179.9° |
| C2 | C1 | C3 | C8 | 0.1° | 0.2° |
| C2 | C1 | C3 | H3 | 179.9° | 179.7° |
| C1 | C2 | C6 | C12 | 0.1° | 0.0° |
| C1 | C2 | C6 | H6 | 179.9° | 179.9° |
| C3 | C1 | C2 | C6 | 0.2° | 0.3° |
| C3 | C1 | C2 | H2 | 179.8° | 179.8° |
| C1 | C3 | C8 | H3 | 180.0° | 179.9° |
| C1 | C3 | C8 | C12 | 0.0° | 0.0° |
| C1 | C3 | C8 | C14 | 179.9° | 180.0° |
| H1 | C1 | C2 | C6 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.1° |
| H1 | C1 | C3 | C8 | 179.9° | 180.0° |
| H1 | C1 | C3 | H3 | 0.1° | 0.1° |
| C2 | C6 | C12 | H6 | 180.0° | 180.0° |
| C2 | C6 | C12 | C8 | 0.0° | 0.2° |
| C2 | C6 | C12 | O31 | 179.9° | 180.0° |
| H2 | C2 | C6 | C12 | 179.9° | 179.9° |
| H2 | C2 | C6 | H6 | 0.1° | 0.0° |
| C3 | C8 | C12 | C6 | 0.1° | 0.2° |
| C3 | C8 | C12 | C14 | 179.9° | 180.0° |
| C3 | C8 | C14 | C9 | 136.9° | 0.0° |
| C3 | C8 | C12 | O31 | 179.8° | 180.0° |
| C3 | C8 | C14 | N23 | 42.6° | 180.0° |
| H3 | C3 | C8 | C12 | 180.0° | 179.9° |
| H3 | C3 | C8 | C14 | 0.1° | 0.0° |
| C10 | C4 | C5 | H4 | 180.0° | 179.6° |
| C10 | C4 | C5 | C11 | 0.1° | 0.1° |
| C10 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C10 | C13 | C7 | 0.0° | 0.0° |
| C4 | C10 | N24 | C13 | 179.9° | 180.0° |
| C4 | C10 | C13 | CL32 | 179.9° | 180.0° |
| C4 | C10 | N24 | C17 | 115.9° | 64.2° |
| C4 | C10 | N24 | C18 | 30.9° | 60.1° |
| C4 | C5 | C11 | H5 | 180.0° | 179.9° |
| C4 | C5 | C11 | C7 | 0.0° | 0.1° |
| C5 | C4 | C10 | N24 | 180.0° | 180.0° |
| C5 | C4 | C10 | C13 | 0.1° | 0.1° |
| C4 | C5 | C11 | N26 | 180.0° | 180.0° |
| H4 | C4 | C5 | C11 | 179.9° | 179.7° |
| H4 | C4 | C5 | H5 | 0.1° | 0.4° |
| H4 | C4 | C10 | N24 | 0.0° | 0.3° |
| H4 | C4 | C10 | C13 | 179.9° | 179.7° |
| C5 | C11 | C7 | C13 | 0.0° | 0.0° |
| C5 | C11 | C7 | N26 | 180.0° | 180.0° |
| C5 | C11 | C7 | H7 | 180.0° | 179.9° |
| C5 | C11 | N26 | O27 | 0.2° | 180.0° |
| C5 | C11 | N26 | O29 | 180.0° | 0.0° |
| H5 | C5 | C11 | C7 | 180.0° | 180.0° |
| H5 | C5 | C11 | N26 | 0.0° | 0.0° |
| C6 | C12 | C8 | O31 | 179.9° | 179.8° |
| C6 | C12 | C8 | C14 | 179.8° | 179.7° |
| C6 | C12 | O31 | C22 | 11.9° | 0.0° |
| H6 | C6 | C12 | C8 | 179.9° | 179.8° |
| H6 | C6 | C12 | O31 | 0.1° | 0.0° |
| C13 | C7 | C11 | H7 | 180.0° | 179.9° |
| C7 | C13 | C10 | N24 | 179.9° | 180.0° |
| C7 | C13 | C10 | CL32 | 179.8° | 180.0° |
| C13 | C7 | C11 | N26 | 180.0° | 180.0° |
| C11 | C7 | C13 | C10 | 0.0° | 0.0° |
| C11 | C7 | C13 | CL32 | 179.8° | 180.0° |
| C7 | C11 | N26 | O27 | 179.8° | 0.0° |
| C7 | C11 | N26 | O29 | 0.0° | 180.0° |
| H7 | C7 | C13 | C10 | 180.0° | 179.9° |
| H7 | C7 | C11 | N26 | 0.1° | 0.1° |
| H7 | C7 | C13 | CL32 | 0.2° | 0.1° |
| C12 | C8 | C14 | C9 | 43.0° | 180.0° |
| C12 | C8 | C14 | N23 | 137.5° | 0.0° |
| C8 | C12 | O31 | C22 | 168.1° | 179.8° |
| C8 | C14 | C9 | C16 | 0.5° | 0.3° |
| C8 | C14 | C9 | C15 | 180.0° | 180.0° |
| C8 | C14 | C9 | N23 | 179.5° | 180.0° |
| C14 | C8 | C12 | O31 | 0.3° | 0.1° |
| C8 | C14 | N23 | O30 | 180.0° | 180.0° |
| C16 | C9 | C15 | C14 | 179.5° | 179.7° |
| C16 | C9 | C14 | N23 | 179.9° | 179.7° |
| C16 | C9 | C15 | C21 | 0.3° | 0.3° |
| C16 | C9 | C15 | O30 | 179.8° | 179.7° |
| C9 | C16 | O28 | N25 | 179.9° | 179.9° |
| C9 | C16 | N25 | C19 | 0.9° | 0.1° |
| C9 | C16 | N25 | C20 | 179.4° | 180.0° |
| C15 | C9 | C14 | N23 | 0.4° | 0.0° |
| C9 | C15 | C21 | O30 | 179.9° | 179.9° |
| C15 | C9 | C16 | O28 | 55.1° | 90.3° |
| C15 | C9 | C16 | N25 | 125.0° | 89.6° |
| C9 | C15 | C21 | H21 | 179.9° | 90.0° |
| C9 | C15 | C21 | H21A | 59.9° | 150.0° |
| C9 | C15 | C21 | H21B | 60.1° | 30.1° |
| C9 | C15 | O30 | N23 | 0.0° | 0.1° |
| C14 | C9 | C15 | C21 | 179.8° | 180.0° |
| C14 | C9 | C15 | O30 | 0.3° | 0.0° |
| C14 | C9 | C16 | O28 | 124.3° | 90.1° |
| C14 | C9 | C16 | N25 | 55.6° | 90.0° |
| C9 | C14 | N23 | O30 | 0.4° | 0.0° |
| N24 | C10 | C13 | CL32 | 0.2° | 0.0° |
| C10 | N24 | C17 | C19 | 168.7° | 172.7° |
| C10 | N24 | C17 | C18 | 147.1° | 124.1° |
| C10 | N24 | C17 | H17 | 48.7° | 52.8° |
| C10 | N24 | C17 | H17A | 71.3° | 67.2° |
| C10 | N24 | C18 | C20 | 164.0° | 172.7° |
| C10 | N24 | C18 | H18 | 76.0° | 67.3° |
| C10 | N24 | C18 | H18A | 44.0° | 52.7° |
| C13 | C10 | N24 | C17 | 64.1° | 115.7° |
| C13 | C10 | N24 | C18 | 149.2° | 120.0° |
| C11 | N26 | O27 | O29 | 179.8° | 180.0° |
| C12 | O31 | C22 | H22 | 180.0° | 180.0° |
| C12 | O31 | C22 | H22A | 60.0° | 60.0° |
| C12 | O31 | C22 | H22B | 60.0° | 60.0° |
| C14 | N23 | O30 | C15 | 0.3° | 0.0° |
| C15 | C21 | H21 | H21A | 120.0° | 120.0° |
| C15 | C21 | H21 | H21B | 120.0° | 120.0° |
| C15 | C21 | H21A | H21B | 120.0° | 120.0° |
| C21 | C15 | O30 | N23 | 179.9° | 180.0° |
| O30 | C15 | C21 | H21 | 0.0° | 90.0° |
| O30 | C15 | C21 | H21A | 120.0° | 30.0° |
| O30 | C15 | C21 | H21B | 120.0° | 150.0° |
| O28 | C16 | N25 | C19 | 179.2° | 180.0° |
| O28 | C16 | N25 | C20 | 0.7° | 0.1° |
| C16 | N25 | C19 | C17 | 132.1° | 128.7° |
| C16 | N25 | C20 | C18 | 127.0° | 128.7° |
| C16 | N25 | C19 | C20 | 178.6° | 179.9° |
| C16 | N25 | C19 | H19 | 12.1° | 9.0° |
| C16 | N25 | C19 | H19A | 107.9° | 111.4° |
| C16 | N25 | C20 | H20 | 113.0° | 111.6° |
| C16 | N25 | C20 | H20A | 7.0° | 9.0° |
| C19 | C17 | N24 | H17 | 120.0° | 119.9° |
| C19 | C17 | N24 | H17A | 120.0° | 120.0° |
| C19 | C17 | H17 | H17A | 118.5° | 120.1° |
| C19 | C17 | N24 | C18 | 44.1° | 63.2° |
| C17 | C19 | N25 | H19 | 120.0° | 119.7° |
| C17 | C19 | N25 | H19A | 120.0° | 119.8° |
| C17 | C19 | H19 | H19A | 118.4° | 120.4° |
| C17 | C19 | N25 | C20 | 49.3° | 51.2° |
| N24 | C17 | H17 | H17A | 118.5° | 120.1° |
| C17 | N24 | C18 | C20 | 49.0° | 63.1° |
| C17 | N24 | C18 | H18 | 71.1° | 56.8° |
| C17 | N24 | C18 | H18A | 168.9° | 176.9° |
| N24 | C17 | C19 | N25 | 42.7° | 53.9° |
| N24 | C17 | C19 | H19 | 162.7° | 173.6° |
| N24 | C17 | C19 | H19A | 77.4° | 66.0° |
| H17 | C17 | N24 | C18 | 164.1° | 177.0° |
| H17 | C17 | C19 | N25 | 162.7° | 173.8° |
| H17 | C17 | C19 | H19 | 77.3° | 66.5° |
| H17 | C17 | C19 | H19A | 42.6° | 53.9° |
| H17A | C17 | N24 | C18 | 75.9° | 56.9° |
| H17A | C17 | C19 | N25 | 77.3° | 66.2° |
| H17A | C17 | C19 | H19 | 42.7° | 53.5° |
| H17A | C17 | C19 | H19A | 162.7° | 173.9° |
| C20 | C18 | N24 | H18 | 120.0° | 119.9° |
| C20 | C18 | N24 | H18A | 120.0° | 120.0° |
| C20 | C18 | H18 | H18A | 119.3° | 120.1° |
| C18 | C20 | N25 | C19 | 54.4° | 51.2° |
| C18 | C20 | N25 | H20 | 120.0° | 119.7° |
| C18 | C20 | N25 | H20A | 120.0° | 119.7° |
| C18 | C20 | H20 | H20A | 119.1° | 120.4° |
| N24 | C18 | H18 | H18A | 119.4° | 120.1° |
| N24 | C18 | C20 | N25 | 52.7° | 53.8° |
| N24 | C18 | C20 | H20 | 67.3° | 65.9° |
| N24 | C18 | C20 | H20A | 172.7° | 173.5° |
| H18 | C18 | C20 | N25 | 67.3° | 66.1° |
| H18 | C18 | C20 | H20 | 172.6° | 174.2° |
| H18 | C18 | C20 | H20A | 52.6° | 53.6° |
| H18A | C18 | C20 | N25 | 172.7° | 173.8° |
| H18A | C18 | C20 | H20 | 52.7° | 54.1° |
| H18A | C18 | C20 | H20A | 67.3° | 66.4° |
| N25 | C19 | H19 | H19A | 118.4° | 120.6° |
| C19 | N25 | C20 | H20 | 65.6° | 68.5° |
| C19 | N25 | C20 | H20A | 174.4° | 170.9° |
| H19 | C19 | N25 | C20 | 169.3° | 170.9° |
| H19A | C19 | N25 | C20 | 70.7° | 68.6° |
| N25 | C20 | H20 | H20A | 119.1° | 120.5° |
| H21 | C21 | H21A | H21B | 120.0° | 119.9° |
| O31 | C22 | H22 | H22A | 120.0° | 120.0° |
| O31 | C22 | H22 | H22B | 120.0° | 120.0° |
| O31 | C22 | H22A | H22B | 120.0° | 119.9° |
| H22 | C22 | H22A | H22B | 120.0° | 120.1° |
