LNH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | O3 | doub | 1.21Å | 1.22Å | |
| C2 | N4 | sing | 1.35Å | 1.40Å | |
| N4 | C5 | sing | 1.40Å | 1.42Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C10 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| N13 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C9 | sing | 1.47Å | 1.43Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C19 | C11 | sing | 1.48Å | 1.48Å | |
| C11 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C12 | N13 | sing | 1.36Å | 1.37Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N13 | C14 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O17 | C16 | doub | 1.21Å | 1.27Å | |
| C16 | O18 | sing | 1.34Å | 1.26Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å | |
| C20 | C19 | sing | 1.41Å | 1.49Å | Aromatic |
| N24 | C19 | doub | 1.33Å | 1.45Å | Aromatic |
| C21 | C20 | doub | 1.37Å | 1.34Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N30 | C21 | sing | 1.38Å | 1.38Å | |
| N22 | C21 | sing | 1.37Å | 1.37Å | Aromatic |
| N27 | N22 | sing | 1.40Å | 1.35Å | Aromatic |
| N22 | C23 | sing | 1.37Å | 1.36Å | Aromatic |
| C25 | C23 | doub | 1.41Å | 1.38Å | Aromatic |
| C23 | N24 | sing | 1.33Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.41Å | Aromatic |
| C25 | C28 | sing | 1.43Å | 1.43Å | |
| C26 | N27 | doub | 1.31Å | 1.35Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | N29 | trip | 1.14Å | 1.16Å | |
| N30 | C31 | sing | 1.46Å | 1.48Å | |
| N30 | HN30 | sing | 0.97Å | 1.00Å | |
| C32 | C31 | sing | 1.53Å | 1.51Å | |
| C33 | C31 | sing | 1.53Å | 1.51Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.50Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.5° | 109.4° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| C1 | C2 | O3 | 118.5° | 120.0° |
| C1 | C2 | N4 | 118.4° | 120.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| O3 | C2 | N4 | 123.1° | 120.0° |
| C2 | N4 | C5 | 126.9° | 120.0° |
| C2 | N4 | HN4 | 116.5° | 120.0° |
| C5 | N4 | HN4 | 116.5° | 120.0° |
| N4 | C5 | C10 | 119.9° | 119.9° |
| N4 | C5 | C6 | 118.5° | 119.9° |
| C10 | C5 | C6 | 121.7° | 120.2° |
| C5 | C10 | C9 | 117.6° | 119.6° |
| C5 | C10 | H10 | 121.2° | 120.2° |
| C5 | C6 | C7 | 122.6° | 120.5° |
| C5 | C6 | H6 | 118.7° | 119.7° |
| C7 | C6 | H6 | 118.7° | 119.7° |
| C6 | C7 | C8 | 113.9° | 120.0° |
| C6 | C7 | H7 | 123.0° | 120.0° |
| C8 | C7 | H7 | 123.0° | 120.0° |
| C7 | C8 | C9 | 125.3° | 119.5° |
| C7 | C8 | N13 | 129.6° | 133.1° |
| C9 | C8 | N13 | 105.1° | 107.4° |
| C8 | C9 | C11 | 108.5° | 106.0° |
| C8 | C9 | C10 | 118.9° | 120.1° |
| C8 | N13 | C12 | 112.7° | 110.3° |
| C8 | N13 | C14 | 123.2° | 124.8° |
| C11 | C9 | C10 | 132.6° | 133.9° |
| C9 | C11 | C19 | 126.8° | 126.7° |
| C9 | C11 | C12 | 107.6° | 106.6° |
| C9 | C10 | H10 | 121.2° | 120.2° |
| C19 | C11 | C12 | 125.6° | 126.7° |
| C11 | C19 | C20 | 123.2° | 120.0° |
| C11 | C19 | N24 | 119.9° | 120.0° |
| C11 | C12 | N13 | 106.2° | 109.7° |
| C11 | C12 | H12 | 126.9° | 125.2° |
| N13 | C12 | H12 | 126.9° | 125.1° |
| C12 | N13 | C14 | 124.1° | 124.9° |
| N13 | C14 | C15 | 104.9° | 109.5° |
| N13 | C14 | H14 | 111.0° | 109.5° |
| N13 | C14 | H14A | 111.0° | 109.5° |
| C15 | C14 | H14 | 111.1° | 109.4° |
| C15 | C14 | H14A | 111.1° | 109.5° |
| C14 | C15 | C16 | 107.4° | 109.4° |
| C14 | C15 | H15 | 110.2° | 109.5° |
| C14 | C15 | H15A | 110.2° | 109.5° |
| H14 | C14 | H14A | 107.8° | 109.5° |
| C16 | C15 | H15 | 110.2° | 109.4° |
| C16 | C15 | H15A | 110.2° | 109.5° |
| C15 | C16 | O17 | 120.0° | 120.0° |
| C15 | C16 | O18 | 111.5° | 120.0° |
| H15 | C15 | H15A | 108.7° | 109.5° |
| O17 | C16 | O18 | 128.4° | 120.0° |
| C16 | O18 | HO18 | 109.5° | 117.0° |
| C20 | C19 | N24 | 117.0° | 120.0° |
| C19 | C20 | C21 | 122.3° | 119.2° |
| C19 | C20 | H20 | 118.8° | 120.4° |
| C19 | N24 | C23 | 115.6° | 120.9° |
| C21 | C20 | H20 | 118.8° | 120.4° |
| C20 | C21 | N30 | 125.3° | 120.4° |
| C20 | C21 | N22 | 118.4° | 119.1° |
| N30 | C21 | N22 | 116.3° | 120.4° |
| C21 | N30 | C31 | 118.6° | 120.0° |
| C21 | N30 | HN30 | 106.5° | 119.9° |
| C21 | N22 | N27 | 128.6° | 132.1° |
| C21 | N22 | C23 | 121.8° | 119.8° |
| N27 | N22 | C23 | 109.6° | 108.1° |
| N22 | N27 | C26 | 107.2° | 109.5° |
| N22 | C23 | C25 | 108.6° | 106.6° |
| N22 | C23 | N24 | 124.9° | 121.0° |
| C25 | C23 | N24 | 126.5° | 132.4° |
| C23 | C25 | C26 | 104.8° | 106.9° |
| C23 | C25 | C28 | 125.9° | 126.5° |
| C26 | C25 | C28 | 129.3° | 126.5° |
| C25 | C26 | N27 | 109.8° | 108.8° |
| C25 | C26 | H26 | 125.1° | 125.6° |
| C25 | C28 | N29 | 175.9° | 179.9° |
| N27 | C26 | H26 | 125.1° | 125.6° |
| C31 | N30 | HN30 | 106.6° | 120.0° |
| N30 | C31 | C32 | 119.1° | 117.5° |
| N30 | C31 | C33 | 119.8° | 117.5° |
| N30 | C31 | H31 | 90.6° | 115.5° |
| C32 | C31 | C33 | 59.5° | 60.0° |
| C32 | C31 | H31 | 135.5° | 117.5° |
| C31 | C32 | C33 | 60.3° | 60.0° |
| C31 | C32 | H32 | 130.8° | 117.5° |
| C31 | C32 | H32A | 130.7° | 117.5° |
| C33 | C31 | H31 | 134.9° | 117.5° |
| C31 | C33 | C32 | 60.2° | 60.0° |
| C31 | C33 | H33 | 130.8° | 117.5° |
| C31 | C33 | H33A | 130.8° | 117.5° |
| C33 | C32 | H32 | 130.7° | 117.5° |
| C33 | C32 | H32A | 130.7° | 117.4° |
| C32 | C33 | H33 | 130.8° | 117.5° |
| C32 | C33 | H33A | 130.8° | 117.5° |
| H32 | C32 | H32A | 82.0° | 115.6° |
| H33 | C33 | H33A | 82.0° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.0° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | O3 | N4 | 178.3° | 180.0° |
| C1 | C2 | N4 | C5 | 16.2° | 174.7° |
| C1 | C2 | N4 | HN4 | 163.8° | 5.3° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | O3 | 0.0° | 90.0° |
| H1 | C1 | C2 | N4 | 178.3° | 90.0° |
| H1A | C1 | C2 | O3 | 120.0° | 150.0° |
| H1A | C1 | C2 | N4 | 61.6° | 30.0° |
| H1B | C1 | C2 | O3 | 120.0° | 30.1° |
| H1B | C1 | C2 | N4 | 58.3° | 150.0° |
| O3 | C2 | N4 | C5 | 165.6° | 5.2° |
| O3 | C2 | N4 | HN4 | 14.4° | 174.7° |
| C2 | N4 | C5 | HN4 | 180.0° | 179.9° |
| C2 | N4 | C5 | C10 | 38.3° | 33.6° |
| C2 | N4 | C5 | C6 | 141.8° | 146.7° |
| N4 | C5 | C10 | C6 | 179.9° | 179.7° |
| N4 | C5 | C6 | C7 | 179.5° | 180.0° |
| N4 | C5 | C6 | H6 | 0.6° | 0.0° |
| N4 | C5 | C10 | C9 | 180.0° | 179.7° |
| N4 | C5 | C10 | H10 | 0.0° | 0.0° |
| HN4 | N4 | C5 | C10 | 141.6° | 146.5° |
| HN4 | N4 | C5 | C6 | 38.2° | 33.3° |
| C10 | C5 | C6 | C7 | 0.4° | 0.3° |
| C10 | C5 | C6 | H6 | 179.6° | 179.7° |
| C5 | C10 | C9 | C8 | 0.3° | 0.5° |
| C5 | C10 | C9 | C11 | 179.6° | 179.8° |
| C5 | C10 | C9 | H10 | 180.0° | 179.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.7° | 0.0° |
| C5 | C6 | C7 | H7 | 179.3° | 180.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.5° |
| C6 | C5 | C10 | H10 | 179.8° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.5° | 0.0° |
| C6 | C7 | C8 | N13 | 178.9° | 180.0° |
| H6 | C6 | C7 | C8 | 179.3° | 180.0° |
| H6 | C6 | C7 | H7 | 0.7° | 0.0° |
| C7 | C8 | C9 | N13 | 179.5° | 180.0° |
| C7 | C8 | C9 | C11 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.3° |
| C7 | C8 | N13 | C12 | 180.0° | 180.0° |
| C7 | C8 | N13 | C14 | 1.7° | 0.0° |
| H7 | C7 | C8 | C9 | 179.5° | 180.0° |
| H7 | C7 | C8 | N13 | 1.1° | 0.0° |
| C8 | C9 | C11 | C10 | 179.9° | 179.7° |
| C8 | C9 | C10 | H10 | 179.6° | 179.7° |
| C8 | C9 | C11 | C19 | 180.0° | 179.9° |
| C8 | C9 | C11 | C12 | 0.2° | 0.0° |
| C9 | C8 | N13 | C12 | 0.5° | 0.0° |
| C9 | C8 | N13 | C14 | 178.8° | 180.0° |
| N13 | C8 | C9 | C11 | 0.4° | 0.0° |
| N13 | C8 | C9 | C10 | 179.5° | 179.7° |
| C8 | N13 | C12 | C11 | 0.4° | 0.0° |
| C8 | N13 | C12 | C14 | 178.3° | 179.9° |
| C8 | N13 | C12 | H12 | 179.6° | 180.0° |
| C8 | N13 | C14 | C15 | 70.3° | 85.1° |
| C8 | N13 | C14 | H14 | 49.7° | 155.0° |
| C8 | N13 | C14 | H14A | 169.6° | 35.0° |
| C11 | C9 | C10 | H10 | 0.4° | 0.1° |
| C9 | C11 | C19 | C12 | 179.7° | 179.9° |
| C9 | C11 | C12 | N13 | 0.1° | 0.0° |
| C9 | C11 | C12 | H12 | 179.9° | 180.0° |
| C9 | C11 | C19 | C20 | 175.3° | 180.0° |
| C9 | C11 | C19 | N24 | 5.3° | 0.4° |
| C10 | C9 | C11 | C19 | 0.0° | 0.4° |
| C10 | C9 | C11 | C12 | 179.7° | 179.7° |
| C19 | C11 | C12 | N13 | 179.7° | 180.0° |
| C19 | C11 | C12 | H12 | 0.3° | 0.1° |
| C11 | C19 | C20 | N24 | 179.5° | 179.7° |
| C11 | C19 | C20 | C21 | 179.0° | 180.0° |
| C11 | C19 | C20 | H20 | 1.1° | 0.1° |
| C11 | C19 | N24 | C23 | 178.2° | 179.8° |
| C11 | C12 | N13 | H12 | 180.0° | 180.0° |
| C11 | C12 | N13 | C14 | 178.7° | 180.0° |
| C12 | C11 | C19 | C20 | 5.0° | 0.1° |
| C12 | C11 | C19 | N24 | 174.5° | 179.7° |
| C12 | N13 | C14 | C15 | 107.8° | 95.0° |
| C12 | N13 | C14 | H14 | 132.2° | 25.0° |
| C12 | N13 | C14 | H14A | 12.3° | 145.0° |
| H12 | C12 | N13 | C14 | 1.3° | 0.0° |
| N13 | C14 | C15 | H14 | 120.0° | 120.0° |
| N13 | C14 | C15 | H14A | 120.0° | 120.0° |
| N13 | C14 | H14 | H14A | 121.8° | 120.0° |
| N13 | C14 | C15 | C16 | 168.9° | 180.0° |
| N13 | C14 | C15 | H15 | 71.1° | 60.1° |
| N13 | C14 | C15 | H15A | 48.9° | 60.0° |
| C15 | C14 | H14 | H14A | 121.9° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 119.9° |
| C14 | C15 | C16 | H15A | 120.0° | 120.1° |
| C14 | C15 | H15 | H15A | 120.8° | 120.1° |
| C14 | C15 | C16 | O17 | 29.1° | 0.1° |
| C14 | C15 | C16 | O18 | 154.3° | 180.0° |
| H14 | C14 | C15 | C16 | 48.9° | 60.1° |
| H14 | C14 | C15 | H15 | 168.9° | 180.0° |
| H14 | C14 | C15 | H15A | 71.1° | 60.0° |
| H14A | C14 | C15 | C16 | 71.1° | 59.9° |
| H14A | C14 | C15 | H15 | 48.9° | 60.0° |
| H14A | C14 | C15 | H15A | 168.9° | 180.0° |
| C16 | C15 | H15 | H15A | 120.9° | 120.0° |
| C15 | C16 | O17 | O18 | 176.0° | 179.9° |
| C15 | C16 | O18 | HO18 | 176.3° | 180.0° |
| H15 | C15 | C16 | O17 | 149.1° | 120.0° |
| H15 | C15 | C16 | O18 | 34.3° | 60.1° |
| H15A | C15 | C16 | O17 | 90.9° | 120.0° |
| H15A | C15 | C16 | O18 | 85.7° | 59.9° |
| O17 | C16 | O18 | HO18 | 0.0° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | N30 | 179.9° | 180.0° |
| C19 | C20 | C21 | N22 | 0.5° | 0.0° |
| C20 | C19 | N24 | C23 | 1.3° | 0.5° |
| N24 | C19 | C20 | C21 | 0.5° | 0.3° |
| N24 | C19 | C20 | H20 | 179.5° | 179.7° |
| C19 | N24 | C23 | N22 | 1.3° | 0.5° |
| C19 | N24 | C23 | C25 | 178.4° | 179.8° |
| C20 | C21 | N30 | N22 | 179.4° | 180.0° |
| C20 | C21 | N22 | N27 | 179.4° | 180.0° |
| C20 | C21 | N22 | C23 | 0.7° | 0.0° |
| C20 | C21 | N30 | C31 | 2.8° | 0.0° |
| C20 | C21 | N30 | HN30 | 122.8° | 180.0° |
| H20 | C20 | C21 | N30 | 0.1° | 0.0° |
| H20 | C20 | C21 | N22 | 179.5° | 180.0° |
| N30 | C21 | N22 | N27 | 0.1° | 0.0° |
| N30 | C21 | N22 | C23 | 179.9° | 180.0° |
| C21 | N30 | C31 | HN30 | 120.0° | 179.9° |
| C21 | N30 | C31 | C32 | 160.7° | 155.1° |
| C21 | N30 | C31 | C33 | 91.2° | 136.3° |
| C21 | N30 | C31 | H31 | 53.9° | 9.4° |
| C21 | N22 | N27 | C23 | 179.9° | 179.9° |
| C21 | N22 | C23 | C25 | 179.5° | 180.0° |
| C21 | N22 | C23 | N24 | 0.3° | 0.2° |
| C21 | N22 | N27 | C26 | 179.9° | 180.0° |
| N22 | C21 | N30 | C31 | 176.6° | 180.0° |
| N22 | C21 | N30 | HN30 | 56.6° | 0.0° |
| N27 | N22 | C23 | C25 | 0.6° | 0.1° |
| N27 | N22 | C23 | N24 | 179.7° | 179.8° |
| N22 | N27 | C26 | C25 | 0.6° | 0.0° |
| N22 | N27 | C26 | H26 | 179.4° | 180.0° |
| N22 | C23 | C25 | N24 | 179.8° | 179.8° |
| N22 | C23 | C25 | C26 | 0.9° | 0.0° |
| N22 | C23 | C25 | C28 | 178.6° | 180.0° |
| C23 | N22 | N27 | C26 | 0.0° | 0.1° |
| C23 | C25 | C26 | C28 | 179.5° | 180.0° |
| C23 | C25 | C26 | N27 | 0.9° | 0.0° |
| C23 | C25 | C26 | H26 | 179.0° | 180.0° |
| C23 | C25 | C28 | N29 | 72.1° | 67.1° |
| N24 | C23 | C25 | C26 | 179.3° | 179.7° |
| N24 | C23 | C25 | C28 | 1.1° | 0.3° |
| C25 | C26 | N27 | H26 | 180.0° | 180.0° |
| C26 | C25 | C28 | N29 | 107.4° | 112.9° |
| C28 | C25 | C26 | N27 | 178.6° | 180.0° |
| C28 | C25 | C26 | H26 | 1.5° | 0.0° |
| N30 | C31 | C32 | C33 | 109.4° | 107.5° |
| N30 | C31 | C32 | H31 | 125.8° | 145.0° |
| N30 | C31 | C33 | H31 | 126.1° | 145.0° |
| N30 | C31 | C32 | H32 | 10.6° | 0.0° |
| N30 | C31 | C32 | H32A | 130.5° | 145.1° |
| N30 | C31 | C33 | H33 | 131.7° | 145.0° |
| N30 | C31 | C33 | H33A | 11.7° | 0.0° |
| HN30 | N30 | C31 | C32 | 40.7° | 24.9° |
| HN30 | N30 | C31 | C33 | 28.8° | 43.8° |
| HN30 | N30 | C31 | H31 | 173.9° | 170.6° |
| C32 | C31 | C33 | H31 | 125.6° | 107.5° |
| C31 | C32 | C33 | H32 | 120.0° | 107.5° |
| C31 | C32 | C33 | H32A | 120.0° | 107.5° |
| C31 | C32 | H32 | H32A | 138.5° | 145.7° |
| C31 | C32 | C33 | H33 | 120.0° | 107.5° |
| C31 | C32 | C33 | H33A | 120.0° | 107.5° |
| C31 | C33 | H33 | H33A | 138.5° | 145.7° |
| H31 | C31 | C32 | H32 | 115.3° | 145.0° |
| H31 | C31 | C32 | H32A | 4.7° | 0.1° |
| H31 | C31 | C33 | H33 | 5.6° | 0.0° |
| H31 | C31 | C33 | H33A | 114.4° | 145.0° |
| C33 | C32 | H32 | H32A | 138.5° | 145.7° |
| C32 | C33 | H33 | H33A | 138.5° | 145.6° |
| H32 | C32 | C33 | H33 | 120.0° | 145.0° |
| H32 | C32 | C33 | H33A | 0.0° | 0.0° |
| H32A | C32 | C33 | H33 | 0.0° | 0.1° |
| H32A | C32 | C33 | H33A | 120.1° | 145.0° |
