A1H2Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C9 | sing | 1.53Å | 1.53Å | |
| N7 | O8 | sing | 1.21Å | 1.21Å | |
| N7 | N6 | sing | 1.28Å | 1.28Å | |
| C9 | N6 | sing | 1.46Å | 1.48Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| O8 | C4 | sing | 1.34Å | 1.34Å | |
| N6 | C5 | doub | 1.32Å | 1.32Å | |
| C4 | C5 | sing | 1.41Å | 1.41Å | |
| C4 | N3 | doub | 1.34Å | 1.35Å | |
| N3 | C2 | sing | 1.33Å | 1.34Å | |
| C2 | N18 | sing | 1.35Å | 1.37Å | |
| C2 | O1 | doub | 1.22Å | 1.21Å | |
| N18 | C19 | sing | 1.40Å | 1.42Å | |
| C24 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C25 | sing | 1.51Å | 1.51Å | |
| F26 | C25 | sing | 1.40Å | 1.40Å | |
| C25 | F28 | sing | 1.40Å | 1.39Å | |
| C25 | F27 | sing | 1.40Å | 1.40Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C24 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| N18 | H16 | sing | 0.97Å | 1.00Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C22 | H18 | sing | 1.08Å | 1.08Å | |
| N7 | H9 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 119.9° | 120.0° |
| C15 | C14 | C13 | 120.0° | 120.0° |
| C14 | C15 | H4 | 120.0° | 120.0° |
| C15 | C14 | H15 | 120.0° | 120.0° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C16 | C15 | H4 | 120.0° | 120.0° |
| C15 | C16 | H5 | 119.9° | 120.0° |
| C14 | C13 | C12 | 119.7° | 120.0° |
| C14 | C13 | H14 | 120.1° | 120.0° |
| C13 | C14 | H15 | 120.0° | 120.0° |
| C16 | C17 | C12 | 119.6° | 120.0° |
| C17 | C16 | H5 | 119.9° | 120.1° |
| C16 | C17 | H6 | 120.2° | 119.9° |
| C13 | C12 | C17 | 120.5° | 120.0° |
| C13 | C12 | C11 | 119.5° | 120.0° |
| C12 | C13 | H14 | 120.1° | 120.0° |
| C17 | C12 | C11 | 119.9° | 120.0° |
| C12 | C17 | H6 | 120.2° | 120.0° |
| C12 | C11 | C9 | 108.3° | 109.4° |
| C12 | C11 | H2 | 109.7° | 109.5° |
| C12 | C11 | H3 | 109.8° | 109.4° |
| C11 | C9 | N6 | 112.2° | 109.5° |
| C11 | C9 | C10 | 107.5° | 109.4° |
| C9 | C11 | H2 | 109.8° | 109.5° |
| C9 | C11 | H3 | 109.8° | 109.5° |
| C11 | C9 | H10 | 108.6° | 109.5° |
| O8 | N7 | N6 | 112.9° | 112.8° |
| N7 | O8 | C4 | 109.9° | 109.3° |
| O8 | N7 | H9 | 108.6° | 123.6° |
| N7 | N6 | C9 | 123.9° | 125.6° |
| N7 | N6 | C5 | 108.4° | 108.8° |
| N6 | N7 | H9 | 108.6° | 123.6° |
| N6 | C9 | C10 | 110.4° | 109.5° |
| C9 | N6 | C5 | 127.6° | 125.5° |
| N6 | C9 | H10 | 109.3° | 109.5° |
| C10 | C9 | H10 | 108.8° | 109.4° |
| C9 | C10 | H11 | 109.5° | 109.4° |
| C9 | C10 | H12 | 109.5° | 109.4° |
| C9 | C10 | H13 | 109.5° | 109.5° |
| O8 | C4 | C5 | 103.9° | 104.6° |
| O8 | C4 | N3 | 123.9° | 127.7° |
| N6 | C5 | C4 | 104.8° | 104.4° |
| N6 | C5 | H1 | 127.6° | 127.8° |
| C5 | C4 | N3 | 132.2° | 127.7° |
| C4 | C5 | H1 | 127.6° | 127.8° |
| C4 | N3 | C2 | 133.6° | 120.0° |
| N3 | C2 | N18 | 115.9° | 120.0° |
| N3 | C2 | O1 | 119.7° | 120.0° |
| N18 | C2 | O1 | 124.4° | 120.0° |
| C2 | N18 | C19 | 129.2° | 120.0° |
| C2 | N18 | H16 | 115.4° | 120.1° |
| N18 | C19 | C24 | 116.3° | 120.1° |
| N18 | C19 | C20 | 125.7° | 120.1° |
| C19 | N18 | H16 | 115.4° | 119.9° |
| C19 | C24 | C23 | 121.0° | 120.0° |
| C24 | C19 | C20 | 118.0° | 119.9° |
| C19 | C24 | H8 | 119.5° | 120.0° |
| C24 | C23 | C22 | 120.0° | 120.0° |
| C24 | C23 | H7 | 120.0° | 120.0° |
| C23 | C24 | H8 | 119.5° | 120.1° |
| C19 | C20 | C21 | 120.9° | 119.9° |
| C19 | C20 | H17 | 119.5° | 120.0° |
| C23 | C22 | C21 | 120.5° | 120.2° |
| C22 | C23 | H7 | 120.0° | 120.0° |
| C23 | C22 | H18 | 119.7° | 119.9° |
| C20 | C21 | C22 | 119.4° | 120.1° |
| C20 | C21 | C25 | 123.1° | 119.9° |
| C21 | C20 | H17 | 119.5° | 120.1° |
| C22 | C21 | C25 | 117.5° | 120.0° |
| C21 | C22 | H18 | 119.7° | 119.9° |
| C21 | C25 | F26 | 109.2° | 109.5° |
| C21 | C25 | F28 | 112.8° | 109.5° |
| C21 | C25 | F27 | 108.9° | 109.5° |
| F26 | C25 | F28 | 108.1° | 109.4° |
| F26 | C25 | F27 | 108.8° | 109.4° |
| F28 | C25 | F27 | 108.9° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H11 | C10 | H12 | 109.5° | 109.5° |
| H11 | C10 | H13 | 109.4° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H4 | 180.0° | 179.7° |
| C15 | C14 | C13 | H15 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.4° | 0.3° |
| C15 | C14 | C13 | C12 | 0.5° | 0.0° |
| C14 | C15 | C16 | H5 | 179.6° | 180.0° |
| C15 | C14 | C13 | H14 | 179.5° | 180.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.3° |
| C15 | C16 | C17 | H5 | 180.0° | 179.7° |
| C15 | C16 | C17 | C12 | 0.0° | 0.0° |
| C15 | C16 | C17 | H6 | 180.0° | 180.0° |
| C16 | C15 | C14 | H15 | 179.9° | 179.9° |
| C14 | C13 | C12 | H14 | 180.0° | 180.0° |
| C14 | C13 | C12 | C17 | 0.9° | 0.2° |
| C14 | C13 | C12 | C11 | 179.2° | 180.0° |
| C13 | C14 | C15 | H4 | 179.9° | 180.0° |
| C16 | C17 | C12 | C13 | 0.6° | 0.2° |
| C16 | C17 | C12 | H6 | 180.0° | 179.9° |
| C16 | C17 | C12 | C11 | 179.0° | 180.0° |
| C17 | C16 | C15 | H4 | 179.7° | 180.0° |
| C13 | C12 | C17 | C11 | 178.3° | 179.7° |
| C13 | C12 | C11 | C9 | 75.6° | 90.3° |
| C13 | C12 | C11 | H2 | 44.2° | 29.7° |
| C13 | C12 | C11 | H3 | 164.5° | 149.7° |
| C13 | C12 | C17 | H6 | 179.3° | 179.7° |
| C12 | C13 | C14 | H15 | 179.5° | 179.8° |
| C17 | C12 | C11 | C9 | 102.7° | 90.0° |
| C17 | C12 | C11 | H2 | 137.5° | 150.0° |
| C17 | C12 | C11 | H3 | 17.1° | 30.0° |
| C12 | C17 | C16 | H5 | 180.0° | 179.7° |
| C17 | C12 | C13 | H14 | 179.1° | 179.7° |
| C12 | C11 | C9 | H2 | 119.8° | 120.0° |
| C12 | C11 | C9 | H3 | 119.8° | 120.0° |
| C12 | C11 | C9 | N6 | 58.0° | 65.0° |
| C12 | C11 | C9 | C10 | 179.5° | 175.0° |
| C12 | C11 | H2 | H3 | 120.5° | 120.0° |
| C11 | C12 | C17 | H6 | 1.0° | 0.0° |
| C12 | C11 | C9 | H10 | 62.9° | 55.1° |
| C11 | C12 | C13 | H14 | 0.8° | 0.0° |
| C11 | C9 | N6 | N7 | 129.3° | 60.0° |
| C11 | C9 | N6 | C10 | 119.9° | 119.9° |
| C11 | C9 | N6 | H10 | 120.5° | 120.1° |
| C11 | C9 | C10 | H10 | 117.4° | 120.0° |
| C11 | C9 | N6 | C5 | 48.8° | 120.0° |
| C9 | C11 | H2 | H3 | 120.6° | 120.1° |
| C11 | C9 | C10 | H11 | 180.0° | 60.0° |
| C11 | C9 | C10 | H12 | 60.0° | 180.0° |
| C11 | C9 | C10 | H13 | 60.0° | 60.0° |
| O8 | N7 | N6 | H9 | 120.5° | 179.5° |
| O8 | N7 | N6 | C9 | 179.0° | 179.7° |
| O8 | N7 | N6 | C5 | 0.6° | 0.3° |
| N7 | O8 | C4 | C5 | 0.7° | 0.4° |
| N7 | O8 | C4 | N3 | 177.3° | 179.8° |
| N7 | N6 | C9 | C5 | 178.0° | 180.0° |
| N7 | N6 | C9 | C10 | 110.9° | 59.9° |
| N6 | N7 | O8 | C4 | 0.8° | 0.4° |
| N7 | N6 | C5 | C4 | 0.1° | 0.0° |
| N7 | N6 | C5 | H1 | 179.9° | 180.0° |
| N7 | N6 | C9 | H10 | 8.8° | 179.9° |
| N6 | C9 | C10 | H10 | 120.0° | 120.0° |
| C9 | N6 | C5 | C4 | 178.4° | 180.0° |
| C9 | N6 | C5 | H1 | 1.6° | 0.0° |
| N6 | C9 | C11 | H2 | 177.8° | 174.9° |
| N6 | C9 | C11 | H3 | 61.8° | 54.9° |
| N6 | C9 | C10 | H11 | 57.3° | 60.0° |
| N6 | C9 | C10 | H12 | 177.3° | 60.0° |
| N6 | C9 | C10 | H13 | 62.7° | 180.0° |
| C9 | N6 | N7 | H9 | 60.5° | 0.2° |
| C10 | C9 | N6 | C5 | 71.1° | 120.0° |
| C10 | C9 | C11 | H2 | 60.7° | 55.0° |
| C10 | C9 | C11 | H3 | 59.7° | 65.1° |
| C9 | C10 | H11 | H12 | 120.0° | 119.9° |
| C9 | C10 | H11 | H13 | 120.0° | 120.0° |
| C9 | C10 | H12 | H13 | 120.0° | 120.0° |
| O8 | C4 | C5 | N6 | 0.3° | 0.2° |
| O8 | C4 | C5 | N3 | 177.8° | 179.8° |
| O8 | C4 | N3 | C2 | 179.3° | 179.7° |
| O8 | C4 | C5 | H1 | 179.7° | 179.8° |
| C4 | O8 | N7 | H9 | 121.3° | 180.0° |
| N6 | C5 | C4 | H1 | 180.0° | 180.0° |
| N6 | C5 | C4 | N3 | 177.4° | 180.0° |
| C5 | N6 | C9 | H10 | 169.3° | 0.1° |
| C5 | N6 | N7 | H9 | 121.1° | 179.8° |
| C5 | C4 | N3 | C2 | 1.9° | 0.1° |
| C4 | N3 | C2 | N18 | 175.6° | 180.0° |
| C4 | N3 | C2 | O1 | 4.0° | 0.3° |
| N3 | C4 | C5 | H1 | 2.5° | 0.1° |
| N3 | C2 | N18 | O1 | 179.6° | 179.7° |
| N3 | C2 | N18 | C19 | 178.2° | 174.4° |
| N3 | C2 | N18 | H16 | 1.8° | 5.6° |
| C2 | N18 | C19 | H16 | 180.0° | 180.0° |
| C2 | N18 | C19 | C24 | 155.9° | 33.6° |
| C2 | N18 | C19 | C20 | 25.4° | 146.8° |
| O1 | C2 | N18 | C19 | 1.4° | 5.3° |
| O1 | C2 | N18 | H16 | 178.6° | 174.7° |
| N18 | C19 | C24 | C20 | 178.9° | 179.7° |
| N18 | C19 | C24 | C23 | 179.6° | 179.7° |
| N18 | C19 | C20 | C21 | 179.2° | 179.7° |
| N18 | C19 | C24 | H8 | 0.4° | 0.3° |
| N18 | C19 | C20 | H17 | 0.9° | 0.3° |
| C19 | C24 | C23 | H8 | 180.0° | 179.9° |
| C19 | C24 | C23 | C22 | 1.0° | 0.0° |
| C24 | C19 | C20 | C21 | 0.4° | 0.0° |
| C19 | C24 | C23 | H7 | 178.9° | 179.9° |
| C24 | C19 | N18 | H16 | 24.1° | 146.4° |
| C24 | C19 | C20 | H17 | 179.6° | 179.9° |
| C23 | C24 | C19 | C20 | 0.7° | 0.1° |
| C24 | C23 | C22 | H7 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 1.0° | 0.0° |
| C24 | C23 | C22 | H18 | 179.0° | 180.0° |
| C19 | C20 | C21 | H17 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C19 | C20 | C21 | C25 | 179.7° | 180.0° |
| C20 | C19 | C24 | H8 | 179.3° | 180.0° |
| C20 | C19 | N18 | H16 | 154.6° | 33.2° |
| C23 | C22 | C21 | C20 | 0.7° | 0.0° |
| C23 | C22 | C21 | H18 | 180.0° | 179.9° |
| C23 | C22 | C21 | C25 | 179.4° | 180.0° |
| C22 | C23 | C24 | H8 | 179.0° | 180.0° |
| C20 | C21 | C22 | C25 | 179.9° | 180.0° |
| C20 | C21 | C25 | F26 | 115.1° | 150.0° |
| C20 | C21 | C25 | F28 | 5.2° | 90.0° |
| C20 | C21 | C25 | F27 | 126.2° | 30.0° |
| C20 | C21 | C22 | H18 | 179.3° | 179.9° |
| C22 | C21 | C25 | F26 | 65.1° | 30.0° |
| C22 | C21 | C25 | F28 | 174.7° | 90.0° |
| C22 | C21 | C25 | F27 | 53.7° | 150.0° |
| C21 | C22 | C23 | H7 | 179.0° | 180.0° |
| C22 | C21 | C20 | H17 | 179.6° | 180.0° |
| C21 | C25 | F26 | F28 | 123.1° | 120.0° |
| C21 | C25 | F26 | F27 | 118.8° | 120.0° |
| C21 | C25 | F28 | F27 | 121.1° | 120.0° |
| C25 | C21 | C20 | H17 | 0.3° | 0.0° |
| C25 | C21 | C22 | H18 | 0.6° | 0.1° |
| F26 | C25 | F28 | F27 | 118.1° | 119.9° |
| H2 | C11 | C9 | H10 | 56.9° | 65.0° |
| H3 | C11 | C9 | H10 | 177.3° | 175.0° |
| H4 | C15 | C16 | H5 | 0.3° | 0.3° |
| H4 | C15 | C14 | H15 | 0.1° | 0.2° |
| H5 | C16 | C17 | H6 | 0.0° | 0.3° |
| H7 | C23 | C24 | H8 | 1.1° | 0.0° |
| H7 | C23 | C22 | H18 | 1.1° | 0.0° |
| H10 | C9 | C10 | H11 | 62.7° | 180.0° |
| H10 | C9 | C10 | H12 | 57.4° | 60.0° |
| H10 | C9 | C10 | H13 | 177.4° | 60.0° |
| H11 | C10 | H12 | H13 | 119.9° | 120.1° |
| H14 | C13 | C14 | H15 | 0.5° | 0.3° |
