L8V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C30 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | N33 | sing | 1.39Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | O5 | sing | 1.36Å | 1.41Å | |
| C4 | C31 | sing | 1.40Å | 1.42Å | Aromatic |
| O5 | C6 | sing | 1.36Å | 1.40Å | |
| C6 | C7 | doub | 1.39Å | 1.43Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N13 | sing | 1.40Å | 1.35Å | |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | F12 | sing | 1.35Å | 1.33Å | |
| N13 | C14 | sing | 1.38Å | 1.36Å | |
| C14 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C14 | N19 | sing | 1.32Å | 1.36Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C20 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | N19 | doub | 1.32Å | 1.36Å | Aromatic |
| C20 | O21 | doub | 1.22Å | 1.23Å | |
| C20 | N22 | sing | 1.35Å | 1.35Å | |
| N22 | C23 | sing | 1.40Å | 1.37Å | |
| C23 | C24 | doub | 1.39Å | 1.44Å | Aromatic |
| C23 | C28 | sing | 1.39Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | F29 | sing | 1.35Å | 1.33Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | F32 | sing | 1.35Å | 1.33Å | |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N33 | HN33 | sing | 0.97Å | 1.00Å | |
| N33 | HN3A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C30 | 123.0° | 121.8° |
| N1 | C2 | C3 | 120.2° | 120.7° |
| N1 | C2 | N33 | 116.9° | 119.7° |
| N1 | C30 | C31 | 121.2° | 120.9° |
| N1 | C30 | H30 | 119.4° | 119.5° |
| C3 | C2 | N33 | 122.9° | 119.6° |
| C2 | C3 | C4 | 117.1° | 119.0° |
| C2 | C3 | H3 | 121.5° | 120.5° |
| C2 | N33 | HN33 | 109.5° | 120.0° |
| C2 | N33 | HN3A | 109.5° | 120.1° |
| C3 | C4 | O5 | 115.2° | 120.8° |
| C3 | C4 | C31 | 121.7° | 118.4° |
| C4 | C3 | H3 | 121.5° | 120.5° |
| O5 | C4 | C31 | 123.1° | 120.8° |
| C4 | O5 | C6 | 119.3° | 118.0° |
| C4 | C31 | C30 | 116.8° | 119.2° |
| C4 | C31 | H31 | 121.6° | 120.4° |
| O5 | C6 | C7 | 122.3° | 120.0° |
| O5 | C6 | C11 | 119.7° | 120.0° |
| C7 | C6 | C11 | 118.0° | 120.0° |
| C6 | C7 | C8 | 120.1° | 120.1° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C6 | C11 | C10 | 122.3° | 119.9° |
| C6 | C11 | F12 | 120.4° | 120.0° |
| C7 | C8 | C9 | 119.9° | 120.0° |
| C8 | C7 | H7 | 120.0° | 120.0° |
| C7 | C8 | H8 | 120.1° | 120.0° |
| C8 | C9 | C10 | 120.7° | 119.9° |
| C8 | C9 | N13 | 116.1° | 120.1° |
| C9 | C8 | H8 | 120.1° | 119.9° |
| C10 | C9 | N13 | 123.2° | 120.0° |
| C9 | C10 | C11 | 119.1° | 120.0° |
| C9 | C10 | H10 | 120.4° | 120.0° |
| C9 | N13 | C14 | 132.4° | 120.0° |
| C9 | N13 | HN13 | 113.8° | 119.9° |
| C10 | C11 | F12 | 117.3° | 120.0° |
| C11 | C10 | H10 | 120.5° | 120.0° |
| N13 | C14 | C15 | 117.1° | 119.8° |
| N13 | C14 | N19 | 121.5° | 119.9° |
| C14 | N13 | HN13 | 113.8° | 120.1° |
| C15 | C14 | N19 | 121.5° | 120.3° |
| C14 | C15 | C16 | 116.4° | 118.8° |
| C14 | C15 | C20 | 122.0° | 120.6° |
| C14 | N19 | C18 | 120.5° | 121.8° |
| C16 | C15 | C20 | 121.7° | 120.6° |
| C15 | C16 | C17 | 123.3° | 118.4° |
| C15 | C16 | H16 | 118.4° | 120.8° |
| C15 | C20 | O21 | 124.1° | 120.0° |
| C15 | C20 | N22 | 115.1° | 120.0° |
| C16 | C17 | C18 | 116.0° | 119.5° |
| C17 | C16 | H16 | 118.4° | 120.8° |
| C16 | C17 | H17 | 122.0° | 120.2° |
| C17 | C18 | N19 | 122.4° | 121.2° |
| C18 | C17 | H17 | 122.0° | 120.3° |
| C17 | C18 | H18 | 118.8° | 119.4° |
| N19 | C18 | H18 | 118.8° | 119.4° |
| O21 | C20 | N22 | 120.8° | 120.0° |
| C20 | N22 | C23 | 121.1° | 120.0° |
| C20 | N22 | HN22 | 119.4° | 120.0° |
| N22 | C23 | C24 | 123.0° | 120.1° |
| N22 | C23 | C28 | 118.9° | 120.1° |
| C23 | N22 | HN22 | 119.4° | 120.0° |
| C24 | C23 | C28 | 118.2° | 119.9° |
| C23 | C24 | C25 | 119.5° | 120.0° |
| C23 | C24 | H24 | 120.2° | 120.0° |
| C23 | C28 | C27 | 123.2° | 119.9° |
| C23 | C28 | F32 | 120.6° | 120.0° |
| C24 | C25 | C26 | 118.6° | 120.1° |
| C25 | C24 | H24 | 120.3° | 120.0° |
| C24 | C25 | H25 | 120.7° | 120.0° |
| C25 | C26 | C27 | 123.1° | 120.1° |
| C25 | C26 | F29 | 122.7° | 120.0° |
| C26 | C25 | H25 | 120.7° | 120.0° |
| C27 | C26 | F29 | 114.2° | 119.9° |
| C26 | C27 | C28 | 117.4° | 120.0° |
| C26 | C27 | H27 | 121.3° | 120.0° |
| C27 | C28 | F32 | 116.2° | 120.0° |
| C28 | C27 | H27 | 121.3° | 120.0° |
| C31 | C30 | H30 | 119.4° | 119.6° |
| C30 | C31 | H31 | 121.6° | 120.4° |
| HN33 | N33 | HN3A | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | N33 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C30 | C31 | 0.1° | 0.1° |
| N1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | N1 | C30 | H30 | 179.9° | 179.9° |
| N1 | C2 | N33 | HN33 | 0.0° | 0.1° |
| N1 | C2 | N33 | HN3A | 120.0° | 179.9° |
| C30 | N1 | C2 | C3 | 0.1° | 0.1° |
| C30 | N1 | C2 | N33 | 179.8° | 180.0° |
| N1 | C30 | C31 | C4 | 0.0° | 0.0° |
| N1 | C30 | C31 | H30 | 180.0° | 180.0° |
| N1 | C30 | C31 | H31 | 179.9° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | O5 | 180.0° | 180.0° |
| C2 | C3 | C4 | C31 | 0.0° | 0.0° |
| C3 | C2 | N33 | HN33 | 180.0° | 180.0° |
| C3 | C2 | N33 | HN3A | 59.9° | 0.1° |
| N33 | C2 | C3 | C4 | 179.9° | 179.9° |
| N33 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | N33 | HN33 | HN3A | 120.0° | 180.0° |
| C3 | C4 | O5 | C31 | 180.0° | 180.0° |
| C3 | C4 | O5 | C6 | 161.5° | 73.3° |
| C3 | C4 | C31 | C30 | 0.0° | 0.0° |
| C3 | C4 | C31 | H31 | 180.0° | 180.0° |
| C4 | O5 | C6 | C7 | 77.7° | 7.1° |
| C4 | O5 | C6 | C11 | 102.4° | 173.2° |
| O5 | C4 | C31 | C30 | 180.0° | 180.0° |
| O5 | C4 | C3 | H3 | 0.0° | 0.1° |
| O5 | C4 | C31 | H31 | 0.0° | 0.0° |
| C31 | C4 | O5 | C6 | 18.5° | 106.7° |
| C4 | C31 | C30 | H31 | 180.0° | 180.0° |
| C31 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C31 | C30 | H30 | 179.9° | 180.0° |
| O5 | C6 | C7 | C11 | 179.9° | 179.7° |
| O5 | C6 | C7 | C8 | 180.0° | 180.0° |
| O5 | C6 | C11 | C10 | 179.8° | 179.8° |
| O5 | C6 | C11 | F12 | 0.1° | 0.0° |
| O5 | C6 | C7 | H7 | 0.0° | 0.1° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C7 | C6 | C11 | C10 | 0.1° | 0.6° |
| C7 | C6 | C11 | F12 | 180.0° | 179.6° |
| C6 | C7 | C8 | H8 | 179.8° | 179.9° |
| C11 | C6 | C7 | C8 | 0.1° | 0.4° |
| C6 | C11 | C10 | C9 | 0.3° | 0.5° |
| C6 | C11 | C10 | F12 | 179.9° | 179.8° |
| C11 | C6 | C7 | H7 | 179.9° | 179.8° |
| C6 | C11 | C10 | H10 | 179.7° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.0° |
| C7 | C8 | C9 | N13 | 179.9° | 180.0° |
| C8 | C9 | C10 | N13 | 179.9° | 180.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.2° |
| C8 | C9 | N13 | C14 | 179.9° | 155.4° |
| C9 | C8 | C7 | H7 | 179.8° | 180.0° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C8 | C9 | N13 | HN13 | 0.1° | 24.5° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | F12 | 179.8° | 179.7° |
| C10 | C9 | N13 | C14 | 0.1° | 24.6° |
| C10 | C9 | C8 | H8 | 180.0° | 180.0° |
| C10 | C9 | N13 | HN13 | 179.9° | 155.5° |
| N13 | C9 | C10 | C11 | 179.9° | 179.8° |
| C9 | N13 | C14 | HN13 | 180.0° | 179.9° |
| C9 | N13 | C14 | C15 | 161.7° | 170.3° |
| C9 | N13 | C14 | N19 | 18.3° | 10.0° |
| N13 | C9 | C8 | H8 | 0.1° | 0.0° |
| N13 | C9 | C10 | H10 | 0.1° | 0.0° |
| F12 | C11 | C10 | H10 | 0.2° | 0.1° |
| N13 | C14 | C15 | N19 | 180.0° | 179.7° |
| N13 | C14 | C15 | C16 | 179.9° | 180.0° |
| N13 | C14 | C15 | C20 | 0.1° | 0.0° |
| N13 | C14 | N19 | C18 | 179.9° | 179.7° |
| C14 | C15 | C16 | C20 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C15 | C14 | N19 | C18 | 0.1° | 0.6° |
| C14 | C15 | C20 | O21 | 2.6° | 7.5° |
| C14 | C15 | C20 | N22 | 177.4° | 172.5° |
| C15 | C14 | N13 | HN13 | 18.3° | 9.6° |
| C14 | C15 | C16 | H16 | 179.9° | 179.9° |
| N19 | C14 | C15 | C16 | 0.1° | 0.3° |
| N19 | C14 | C15 | C20 | 179.9° | 179.7° |
| C14 | N19 | C18 | C17 | 0.0° | 0.6° |
| N19 | C14 | N13 | HN13 | 161.7° | 170.1° |
| C14 | N19 | C18 | H18 | 180.0° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | O21 | 177.6° | 172.5° |
| C16 | C15 | C20 | N22 | 2.4° | 7.5° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C20 | C15 | C16 | C17 | 179.9° | 180.0° |
| C15 | C20 | O21 | N22 | 180.0° | 180.0° |
| C15 | C20 | N22 | C23 | 179.9° | 171.9° |
| C20 | C15 | C16 | H16 | 0.1° | 0.0° |
| C15 | C20 | N22 | HN22 | 0.1° | 8.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 0.0° | 0.3° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C18 | N19 | H18 | 180.0° | 179.7° |
| C18 | C17 | C16 | H16 | 179.9° | 179.9° |
| N19 | C18 | C17 | H17 | 180.0° | 179.7° |
| O21 | C20 | N22 | C23 | 0.0° | 8.1° |
| O21 | C20 | N22 | HN22 | 180.0° | 171.9° |
| C20 | N22 | C23 | HN22 | 180.0° | 180.0° |
| C20 | N22 | C23 | C24 | 69.5° | 27.9° |
| C20 | N22 | C23 | C28 | 110.4° | 152.4° |
| N22 | C23 | C24 | C28 | 180.0° | 179.7° |
| N22 | C23 | C24 | C25 | 179.9° | 180.0° |
| N22 | C23 | C28 | C27 | 180.0° | 179.7° |
| N22 | C23 | C28 | F32 | 0.0° | 0.0° |
| N22 | C23 | C24 | H24 | 0.1° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C28 | C27 | 0.0° | 0.6° |
| C24 | C23 | C28 | F32 | 180.0° | 179.7° |
| C24 | C23 | N22 | HN22 | 110.4° | 152.1° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C28 | C23 | C24 | C25 | 0.0° | 0.3° |
| C23 | C28 | C27 | C26 | 0.1° | 0.6° |
| C23 | C28 | C27 | F32 | 180.0° | 179.7° |
| C28 | C23 | N22 | HN22 | 69.6° | 27.6° |
| C28 | C23 | C24 | H24 | 180.0° | 179.7° |
| C23 | C28 | C27 | H27 | 179.9° | 179.7° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.1° | 0.0° |
| C24 | C25 | C26 | F29 | 179.9° | 180.0° |
| C25 | C26 | C27 | F29 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.3° |
| C26 | C25 | C24 | H24 | 179.9° | 180.0° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | F32 | 180.0° | 179.7° |
| C27 | C26 | C25 | H25 | 179.9° | 180.0° |
| F29 | C26 | C27 | C28 | 179.9° | 179.7° |
| F29 | C26 | C25 | H25 | 0.1° | 0.0° |
| F29 | C26 | C27 | H27 | 0.1° | 0.0° |
| F32 | C28 | C27 | H27 | 0.0° | 0.0° |
| H7 | C7 | C8 | H8 | 0.2° | 0.1° |
| H16 | C16 | C17 | H17 | 0.1° | 0.1° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| H24 | C24 | C25 | H25 | 0.1° | 0.0° |
| H30 | C30 | C31 | H31 | 0.1° | 0.0° |
