L31
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C1 | sing | 1.51Å | 1.54Å | |
| C6 | C1 | doub | 1.39Å | 1.47Å | Aromatic |
| C1 | C2 | sing | 1.37Å | 1.44Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.46Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C14 | sing | 1.46Å | 1.57Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.50Å | Aromatic |
| C4 | N16 | sing | 1.38Å | 1.50Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.35Å | 1.52Å | Aromatic |
| C14 | C18 | sing | 1.51Å | 1.55Å | |
| N16 | C15 | sing | 1.37Å | 1.43Å | Aromatic |
| C15 | C25 | sing | 1.51Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.57Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | N22 | sing | 1.47Å | 1.49Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C25 | N22 | sing | 1.47Å | 1.45Å | |
| N22 | C39 | sing | 1.35Å | 1.48Å | |
| C25 | C26 | sing | 1.51Å | 1.54Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | C32 | doub | 1.38Å | 1.51Å | Aromatic |
| C26 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | doub | 1.39Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.47Å | Aromatic |
| C29 | O37 | sing | 1.36Å | 1.40Å | |
| C31 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| O37 | HO37 | sing | 0.97Å | 0.95Å | |
| O40 | C39 | doub | 1.21Å | 1.19Å | |
| C39 | C41 | sing | 1.51Å | 1.51Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C1 | C6 | 119.0° | 119.7° |
| C10 | C1 | C2 | 120.5° | 119.7° |
| C1 | C10 | H10 | 109.5° | 109.5° |
| C1 | C10 | H10A | 109.5° | 109.5° |
| C1 | C10 | H10B | 109.4° | 109.5° |
| C6 | C1 | C2 | 120.4° | 120.6° |
| C1 | C6 | C5 | 119.9° | 120.6° |
| C1 | C6 | H6 | 120.1° | 119.7° |
| C1 | C2 | C3 | 119.5° | 119.8° |
| C1 | C2 | H2 | 120.2° | 120.1° |
| C3 | C2 | H2 | 120.2° | 120.1° |
| C2 | C3 | C4 | 120.0° | 119.8° |
| C2 | C3 | C14 | 132.6° | 134.3° |
| C4 | C3 | C14 | 107.4° | 105.9° |
| C3 | C4 | C5 | 120.1° | 119.3° |
| C3 | C4 | N16 | 109.6° | 107.3° |
| C3 | C14 | C15 | 105.2° | 107.2° |
| C3 | C14 | C18 | 135.8° | 127.7° |
| C5 | C4 | N16 | 130.4° | 133.4° |
| C4 | C5 | C6 | 120.0° | 119.8° |
| C4 | C5 | H5 | 120.0° | 120.1° |
| C4 | N16 | C15 | 109.5° | 109.9° |
| C4 | N16 | HN16 | 125.2° | 125.1° |
| C6 | C5 | H5 | 120.0° | 120.1° |
| C5 | C6 | H6 | 120.0° | 119.6° |
| H10 | C10 | H10A | 109.5° | 109.4° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.4° |
| C15 | C14 | C18 | 118.4° | 125.0° |
| C14 | C15 | N16 | 107.9° | 109.7° |
| C14 | C15 | C25 | 119.9° | 123.4° |
| C14 | C18 | C19 | 117.0° | 108.9° |
| C14 | C18 | H18 | 107.1° | 109.5° |
| C14 | C18 | H18A | 107.0° | 109.6° |
| N16 | C15 | C25 | 132.2° | 126.9° |
| C15 | N16 | HN16 | 125.3° | 125.0° |
| C15 | C25 | N22 | 116.7° | 107.4° |
| C15 | C25 | C26 | 108.4° | 109.9° |
| C15 | C25 | H25 | 105.2° | 109.8° |
| C19 | C18 | H18 | 107.0° | 109.5° |
| C19 | C18 | H18A | 107.0° | 109.6° |
| C18 | C19 | N22 | 113.6° | 108.9° |
| C18 | C19 | H19 | 108.1° | 109.6° |
| C18 | C19 | H19A | 108.1° | 109.6° |
| H18 | C18 | H18A | 111.8° | 109.7° |
| N22 | C19 | H19 | 108.2° | 109.6° |
| N22 | C19 | H19A | 108.1° | 109.6° |
| C19 | N22 | C25 | 120.8° | 118.4° |
| C19 | N22 | C39 | 119.2° | 120.8° |
| H19 | C19 | H19A | 110.8° | 109.7° |
| C25 | N22 | C39 | 117.3° | 120.8° |
| N22 | C25 | C26 | 109.7° | 109.9° |
| N22 | C25 | H25 | 103.8° | 109.9° |
| N22 | C39 | O40 | 119.3° | 120.0° |
| N22 | C39 | C41 | 122.6° | 120.0° |
| C26 | C25 | H25 | 112.9° | 110.0° |
| C25 | C26 | C32 | 121.2° | 120.0° |
| C25 | C26 | C28 | 119.2° | 119.9° |
| C32 | C26 | C28 | 119.5° | 120.1° |
| C26 | C32 | C31 | 120.3° | 120.1° |
| C26 | C32 | H32 | 119.9° | 120.0° |
| C26 | C28 | C29 | 120.2° | 119.9° |
| C26 | C28 | H28 | 119.9° | 120.0° |
| C29 | C28 | H28 | 119.9° | 120.1° |
| C28 | C29 | C30 | 120.1° | 119.9° |
| C28 | C29 | O37 | 120.2° | 120.0° |
| C30 | C29 | O37 | 119.7° | 120.1° |
| C29 | C30 | C31 | 119.9° | 120.0° |
| C29 | C30 | H30 | 120.1° | 120.0° |
| C29 | O37 | HO37 | 109.5° | 114.0° |
| C31 | C30 | H30 | 120.0° | 120.0° |
| C30 | C31 | C32 | 120.0° | 120.0° |
| C30 | C31 | H31 | 120.0° | 120.0° |
| C32 | C31 | H31 | 120.0° | 120.0° |
| C31 | C32 | H32 | 119.8° | 119.9° |
| O40 | C39 | C41 | 118.0° | 120.0° |
| C39 | C41 | H41 | 109.5° | 109.5° |
| C39 | C41 | H41A | 109.5° | 109.4° |
| C39 | C41 | H41B | 109.4° | 109.4° |
| H41 | C41 | H41A | 109.5° | 109.6° |
| H41 | C41 | H41B | 109.5° | 109.4° |
| H41A | C41 | H41B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C1 | C6 | C2 | 179.9° | 179.7° |
| C10 | C1 | C2 | C3 | 179.9° | 179.7° |
| C10 | C1 | C2 | H2 | 0.1° | 0.3° |
| C10 | C1 | C6 | C5 | 179.9° | 179.7° |
| C10 | C1 | C6 | H6 | 0.1° | 0.3° |
| C1 | C10 | H10 | H10A | 120.0° | 120.0° |
| C1 | C10 | H10 | H10B | 120.0° | 120.1° |
| C1 | C10 | H10A | H10B | 120.0° | 120.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C6 | C1 | C10 | H10 | 89.9° | 90.2° |
| C6 | C1 | C10 | H10A | 150.1° | 29.7° |
| C6 | C1 | C10 | H10B | 30.1° | 149.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | C14 | 179.9° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | C10 | H10 | 89.9° | 90.1° |
| C2 | C1 | C10 | H10A | 30.1° | 150.0° |
| C2 | C1 | C10 | H10B | 150.1° | 30.0° |
| C2 | C3 | C4 | C14 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | N16 | 179.7° | 179.9° |
| C2 | C3 | C14 | C15 | 175.8° | 179.9° |
| C2 | C3 | C14 | C18 | 13.3° | 0.5° |
| H2 | C2 | C3 | C4 | 180.0° | 179.9° |
| H2 | C2 | C3 | C14 | 0.1° | 0.1° |
| C3 | C4 | C5 | N16 | 179.8° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C3 | C14 | C15 | 4.2° | 0.2° |
| C4 | C3 | C14 | C18 | 166.7° | 179.5° |
| C3 | C4 | N16 | C15 | 4.1° | 0.1° |
| C3 | C4 | N16 | HN16 | 176.0° | 180.0° |
| C14 | C3 | C4 | C5 | 179.9° | 179.9° |
| C14 | C3 | C4 | N16 | 0.3° | 0.1° |
| C3 | C14 | C15 | C18 | 172.8° | 179.6° |
| C3 | C14 | C15 | N16 | 6.7° | 0.1° |
| C3 | C14 | C15 | C25 | 172.2° | 179.8° |
| C3 | C14 | C18 | C19 | 170.4° | 162.6° |
| C3 | C14 | C18 | H18 | 50.4° | 42.8° |
| C3 | C14 | C18 | H18A | 69.6° | 77.6° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | N16 | C15 | 175.7° | 180.0° |
| C5 | C4 | N16 | HN16 | 4.2° | 0.1° |
| N16 | C4 | C5 | C6 | 179.6° | 179.9° |
| N16 | C4 | C5 | H5 | 0.4° | 0.1° |
| C4 | N16 | C15 | C14 | 6.7° | 0.0° |
| C4 | N16 | C15 | HN16 | 180.0° | 179.9° |
| C4 | N16 | C15 | C25 | 172.0° | 179.8° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| C14 | C15 | N16 | C25 | 178.7° | 179.9° |
| C15 | C14 | C18 | C19 | 0.4° | 17.8° |
| C15 | C14 | C18 | H18 | 119.6° | 137.6° |
| C15 | C14 | C18 | H18A | 120.4° | 102.0° |
| C14 | C15 | C25 | N22 | 0.5° | 11.6° |
| C14 | C15 | C25 | C26 | 125.0° | 107.9° |
| C14 | C15 | C25 | H25 | 113.9° | 131.0° |
| C14 | C15 | N16 | HN16 | 173.3° | 179.9° |
| C18 | C14 | C15 | N16 | 166.1° | 179.5° |
| C18 | C14 | C15 | C25 | 15.0° | 0.6° |
| C14 | C18 | C19 | H18 | 120.0° | 119.8° |
| C14 | C18 | C19 | H18A | 120.0° | 119.9° |
| C14 | C18 | H18 | H18A | 116.9° | 120.3° |
| C14 | C18 | C19 | N22 | 27.4° | 45.0° |
| C14 | C18 | C19 | H19 | 92.6° | 74.8° |
| C14 | C18 | C19 | H19A | 147.4° | 164.9° |
| N16 | C15 | C25 | N22 | 179.1° | 168.6° |
| N16 | C15 | C25 | C26 | 56.4° | 72.0° |
| N16 | C15 | C25 | H25 | 64.7° | 49.1° |
| C15 | C25 | N22 | C19 | 30.8° | 44.6° |
| C15 | C25 | N22 | C26 | 123.9° | 119.5° |
| C15 | C25 | N22 | H25 | 115.3° | 119.4° |
| C15 | C25 | N22 | C39 | 130.2° | 135.5° |
| C15 | C25 | C26 | H25 | 116.2° | 121.0° |
| C15 | C25 | C26 | C32 | 42.1° | 54.3° |
| C15 | C25 | C26 | C28 | 136.9° | 125.4° |
| C25 | C15 | N16 | HN16 | 8.0° | 0.2° |
| C19 | C18 | H18 | H18A | 116.9° | 120.3° |
| C18 | C19 | N22 | H19 | 120.0° | 119.8° |
| C18 | C19 | N22 | H19A | 120.0° | 119.8° |
| C18 | C19 | H19 | H19A | 118.3° | 120.3° |
| C18 | C19 | N22 | C25 | 44.8° | 64.3° |
| C18 | C19 | N22 | C39 | 115.9° | 115.7° |
| H18 | C18 | C19 | N22 | 147.4° | 164.8° |
| H18 | C18 | C19 | H19 | 27.4° | 45.0° |
| H18 | C18 | C19 | H19A | 92.6° | 75.4° |
| H18A | C18 | C19 | N22 | 92.6° | 74.8° |
| H18A | C18 | C19 | H19 | 147.4° | 165.3° |
| H18A | C18 | C19 | H19A | 27.5° | 45.0° |
| N22 | C19 | H19 | H19A | 118.3° | 120.3° |
| C19 | N22 | C25 | C39 | 161.1° | 179.9° |
| C19 | N22 | C25 | C26 | 93.0° | 74.9° |
| C19 | N22 | C25 | H25 | 146.1° | 164.0° |
| C19 | N22 | C39 | O40 | 166.6° | 5.0° |
| C19 | N22 | C39 | C41 | 9.2° | 175.0° |
| H19 | C19 | N22 | C25 | 75.2° | 55.5° |
| H19 | C19 | N22 | C39 | 124.1° | 124.4° |
| H19A | C19 | N22 | C25 | 164.8° | 175.8° |
| H19A | C19 | N22 | C39 | 4.0° | 4.1° |
| N22 | C25 | C26 | H25 | 115.3° | 121.1° |
| N22 | C25 | C26 | C32 | 86.4° | 63.6° |
| N22 | C25 | C26 | C28 | 94.6° | 116.7° |
| C25 | N22 | C39 | O40 | 5.2° | 174.9° |
| C25 | N22 | C39 | C41 | 170.6° | 5.1° |
| C39 | N22 | C25 | C26 | 105.9° | 105.0° |
| C39 | N22 | C25 | H25 | 15.0° | 16.1° |
| N22 | C39 | O40 | C41 | 176.0° | 180.0° |
| N22 | C39 | C41 | H41 | 175.9° | 93.7° |
| N22 | C39 | C41 | H41A | 64.1° | 146.2° |
| N22 | C39 | C41 | H41B | 55.9° | 26.2° |
| C25 | C26 | C32 | C28 | 179.0° | 179.7° |
| C25 | C26 | C28 | C29 | 179.2° | 180.0° |
| C25 | C26 | C28 | H28 | 0.8° | 0.0° |
| C25 | C26 | C32 | C31 | 179.1° | 179.7° |
| C25 | C26 | C32 | H32 | 0.9° | 0.1° |
| H25 | C25 | C26 | C32 | 158.3° | 175.3° |
| H25 | C25 | C26 | C28 | 20.7° | 4.4° |
| C32 | C26 | C28 | C29 | 0.2° | 0.3° |
| C32 | C26 | C28 | H28 | 179.8° | 179.7° |
| C26 | C32 | C31 | C30 | 0.0° | 0.6° |
| C26 | C32 | C31 | H32 | 180.0° | 179.7° |
| C26 | C32 | C31 | H31 | 180.0° | 179.7° |
| C26 | C28 | C29 | H28 | 180.0° | 180.0° |
| C26 | C28 | C29 | C30 | 0.2° | 0.0° |
| C26 | C28 | C29 | O37 | 179.5° | 180.0° |
| C28 | C26 | C32 | C31 | 0.1° | 0.6° |
| C28 | C26 | C32 | H32 | 179.9° | 179.8° |
| C28 | C29 | C30 | O37 | 179.7° | 179.9° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| C28 | C29 | O37 | HO37 | 180.0° | 90.0° |
| H28 | C28 | C29 | C30 | 179.8° | 180.0° |
| H28 | C28 | C29 | O37 | 0.5° | 0.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.1° | 0.3° |
| C29 | C30 | C31 | H31 | 179.9° | 179.9° |
| C30 | C29 | O37 | HO37 | 0.3° | 90.1° |
| O37 | C29 | C30 | C31 | 179.7° | 180.0° |
| O37 | C29 | C30 | H30 | 0.4° | 0.0° |
| C30 | C31 | C32 | H31 | 180.0° | 179.7° |
| C30 | C31 | C32 | H32 | 180.0° | 179.8° |
| H30 | C30 | C31 | C32 | 180.0° | 179.7° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
| H31 | C31 | C32 | H32 | 0.0° | 0.1° |
| O40 | C39 | C41 | H41 | 0.0° | 86.2° |
| O40 | C39 | C41 | H41A | 120.0° | 33.9° |
| O40 | C39 | C41 | H41B | 120.0° | 153.8° |
| C39 | C41 | H41 | H41A | 120.0° | 120.0° |
| C39 | C41 | H41 | H41B | 120.0° | 120.0° |
| C39 | C41 | H41A | H41B | 120.0° | 119.9° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
