A1ASH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | F1 | sing | 1.35Å | 1.36Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | N2 | sing | 1.47Å | 1.45Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| N2 | C8 | sing | 1.35Å | 1.33Å | |
| C7 | N3 | doub | 1.28Å | 1.29Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | O1 | doub | 1.21Å | 1.24Å | |
| C9 | C10 | sing | 1.54Å | 1.51Å | |
| C9 | N4 | sing | 1.48Å | 1.45Å | |
| C10 | C11 | sing | 1.54Å | 1.51Å | |
| C10 | C13 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | N4 | sing | 1.48Å | 1.48Å | |
| N4 | C16 | sing | 1.35Å | 1.35Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.51Å | |
| C16 | O2 | doub | 1.21Å | 1.23Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | N5 | sing | 1.46Å | 1.46Å | |
| C17 | C19 | sing | 1.53Å | 1.56Å | |
| N5 | C18 | sing | 1.35Å | 1.34Å | |
| C18 | O3 | doub | 1.21Å | 1.22Å | |
| C18 | C23 | sing | 1.51Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | F2 | sing | 1.40Å | 1.33Å | |
| C23 | F3 | sing | 1.40Å | 1.34Å | |
| C23 | F4 | sing | 1.40Å | 1.33Å | |
| N3 | H7 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H27 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H5 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C5 | 123.7° | 120.8° |
| C1 | N1 | C2 | 118.7° | 121.8° |
| N1 | C1 | H1 | 118.1° | 119.7° |
| C1 | C5 | C4 | 117.3° | 119.2° |
| C1 | C5 | C6 | 120.0° | 120.4° |
| C5 | C1 | H1 | 118.2° | 119.5° |
| N1 | C2 | C3 | 120.8° | 120.7° |
| N1 | C2 | H2 | 119.6° | 119.6° |
| C2 | C3 | C4 | 121.0° | 119.1° |
| C2 | C3 | F1 | 118.7° | 120.4° |
| C3 | C2 | H2 | 119.6° | 119.6° |
| C4 | C3 | F1 | 120.3° | 120.5° |
| C3 | C4 | C5 | 118.4° | 118.4° |
| C3 | C4 | H3 | 120.8° | 120.8° |
| C4 | C5 | C6 | 122.6° | 120.4° |
| C5 | C4 | H3 | 120.8° | 120.8° |
| C5 | C6 | N2 | 104.1° | 109.5° |
| C5 | C6 | C7 | 114.9° | 109.5° |
| C5 | C6 | H4 | 109.2° | 109.5° |
| N2 | C6 | C7 | 109.4° | 109.4° |
| C6 | N2 | C8 | 127.2° | 120.0° |
| N2 | C6 | H4 | 110.2° | 109.5° |
| C6 | N2 | H5 | 116.4° | 120.0° |
| C6 | C7 | N3 | 124.3° | 120.0° |
| C7 | C6 | H4 | 109.0° | 109.5° |
| C6 | C7 | H6 | 117.8° | 120.0° |
| N2 | C8 | C9 | 109.7° | 120.0° |
| N2 | C8 | O1 | 126.4° | 120.0° |
| C8 | N2 | H5 | 116.4° | 120.0° |
| C7 | N3 | H7 | 112.0° | 120.0° |
| N3 | C7 | H6 | 117.9° | 120.0° |
| C9 | C8 | O1 | 124.0° | 120.0° |
| C8 | C9 | C10 | 113.9° | 110.4° |
| C8 | C9 | N4 | 110.0° | 110.4° |
| C8 | C9 | H8 | 109.6° | 110.4° |
| C10 | C9 | N4 | 102.7° | 104.6° |
| C9 | C10 | C11 | 107.9° | 104.9° |
| C9 | C10 | C13 | 123.4° | 118.1° |
| C9 | C10 | H9 | 117.0° | 118.1° |
| C10 | C9 | H8 | 109.8° | 110.4° |
| C9 | N4 | C12 | 111.1° | 104.3° |
| C9 | N4 | C16 | 116.9° | 127.9° |
| N4 | C9 | H8 | 110.6° | 110.5° |
| C11 | C10 | C13 | 60.2° | 59.7° |
| C10 | C11 | C12 | 106.9° | 105.0° |
| C10 | C11 | C13 | 60.4° | 59.7° |
| C11 | C10 | H9 | 117.0° | 121.9° |
| C10 | C11 | H10 | 119.3° | 121.8° |
| C10 | C13 | C11 | 59.4° | 60.6° |
| C10 | C13 | C14 | 131.0° | 117.5° |
| C10 | C13 | C15 | 109.5° | 117.4° |
| C13 | C10 | H9 | 116.7° | 119.6° |
| C12 | C11 | C13 | 117.6° | 118.1° |
| C11 | C12 | N4 | 102.8° | 104.6° |
| C12 | C11 | H10 | 118.9° | 117.6° |
| C11 | C12 | H11 | 111.1° | 110.4° |
| C11 | C12 | H12 | 111.1° | 110.5° |
| C11 | C13 | C14 | 116.4° | 117.5° |
| C11 | C13 | C15 | 126.2° | 117.4° |
| C13 | C11 | H10 | 119.1° | 120.3° |
| C12 | N4 | C16 | 132.0° | 127.8° |
| N4 | C12 | H11 | 111.1° | 110.4° |
| N4 | C12 | H12 | 111.1° | 110.4° |
| N4 | C16 | O2 | 119.6° | 120.0° |
| N4 | C16 | C17 | 121.0° | 120.0° |
| C14 | C13 | C15 | 108.5° | 115.5° |
| C13 | C14 | H15 | 109.5° | 109.4° |
| C13 | C14 | H13 | 109.5° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C15 | H17 | 109.5° | 109.5° |
| C13 | C15 | H18 | 109.5° | 109.5° |
| C13 | C15 | H16 | 109.4° | 109.4° |
| O2 | C16 | C17 | 119.4° | 120.0° |
| C16 | C17 | N5 | 104.4° | 109.5° |
| C16 | C17 | C19 | 115.5° | 109.5° |
| C16 | C17 | H19 | 107.2° | 109.4° |
| N5 | C17 | C19 | 114.4° | 109.5° |
| C17 | N5 | C18 | 125.6° | 120.0° |
| N5 | C17 | H19 | 108.0° | 109.5° |
| C17 | N5 | H20 | 117.2° | 120.0° |
| C17 | C19 | C20 | 108.3° | 109.5° |
| C17 | C19 | C21 | 112.0° | 109.5° |
| C17 | C19 | C22 | 114.6° | 109.4° |
| C19 | C17 | H19 | 106.8° | 109.5° |
| N5 | C18 | O3 | 125.2° | 120.0° |
| N5 | C18 | C23 | 115.7° | 120.0° |
| C18 | N5 | H20 | 117.2° | 120.0° |
| O3 | C18 | C23 | 119.1° | 120.0° |
| C18 | C23 | F2 | 111.1° | 109.4° |
| C18 | C23 | F3 | 113.6° | 109.5° |
| C18 | C23 | F4 | 109.8° | 109.5° |
| C20 | C19 | C21 | 108.3° | 109.5° |
| C20 | C19 | C22 | 108.2° | 109.5° |
| C19 | C20 | H21 | 109.5° | 109.4° |
| C19 | C20 | H23 | 109.5° | 109.5° |
| C19 | C20 | H22 | 109.5° | 109.5° |
| C21 | C19 | C22 | 105.2° | 109.5° |
| C19 | C21 | H25 | 109.5° | 109.5° |
| C19 | C21 | H24 | 109.4° | 109.5° |
| C19 | C21 | H26 | 109.5° | 109.5° |
| C19 | C22 | H28 | 109.5° | 109.5° |
| C19 | C22 | H29 | 109.5° | 109.5° |
| C19 | C22 | H27 | 109.5° | 109.5° |
| F2 | C23 | F3 | 107.5° | 109.5° |
| F2 | C23 | F4 | 107.0° | 109.4° |
| F3 | C23 | F4 | 107.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H17 | C15 | H16 | 109.4° | 109.5° |
| H18 | C15 | H16 | 109.5° | 109.4° |
| H21 | C20 | H23 | 109.5° | 109.5° |
| H21 | C20 | H22 | 109.4° | 109.5° |
| H23 | C20 | H22 | 109.5° | 109.5° |
| H25 | C21 | H24 | 109.5° | 109.4° |
| H25 | C21 | H26 | 109.4° | 109.5° |
| H24 | C21 | H26 | 109.5° | 109.5° |
| H28 | C22 | H29 | 109.5° | 109.4° |
| H28 | C22 | H27 | 109.4° | 109.5° |
| H29 | C22 | H27 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.5° | 110.5° |
| H15 | C14 | H13 | 109.4° | 109.5° |
| H15 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C5 | H1 | 180.0° | 180.0° |
| C1 | N1 | C2 | C3 | 0.2° | 0.0° |
| N1 | C1 | C5 | C4 | 2.1° | 0.0° |
| N1 | C1 | C5 | C6 | 179.6° | 180.0° |
| C1 | N1 | C2 | H2 | 179.9° | 180.0° |
| C5 | C1 | N1 | C2 | 1.0° | 0.0° |
| C1 | C5 | C4 | C3 | 2.0° | 0.0° |
| C1 | C5 | C4 | C6 | 177.4° | 179.9° |
| C1 | C5 | C6 | N2 | 65.3° | 40.0° |
| C1 | C5 | C6 | C7 | 54.4° | 79.9° |
| C1 | C5 | C4 | H3 | 177.9° | 180.0° |
| C1 | C5 | C6 | H4 | 177.1° | 160.0° |
| N1 | C2 | C3 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| N1 | C2 | C3 | F1 | 180.0° | 180.0° |
| C2 | N1 | C1 | H1 | 179.0° | 180.0° |
| C2 | C3 | C4 | F1 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 1.0° | 0.0° |
| C2 | C3 | C4 | H3 | 179.0° | 180.0° |
| C3 | C4 | C5 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.4° | 180.0° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| F1 | C3 | C4 | C5 | 178.9° | 180.0° |
| F1 | C3 | C4 | H3 | 1.1° | 0.0° |
| F1 | C3 | C2 | H2 | 0.0° | 0.0° |
| C4 | C5 | C6 | N2 | 112.0° | 140.0° |
| C4 | C5 | C6 | C7 | 128.3° | 100.0° |
| C4 | C5 | C6 | H4 | 5.6° | 20.0° |
| C4 | C5 | C1 | H1 | 177.9° | 180.0° |
| C5 | C6 | N2 | C7 | 123.3° | 120.0° |
| C5 | C6 | N2 | H4 | 116.9° | 120.0° |
| C5 | C6 | C7 | H4 | 122.8° | 120.0° |
| C5 | C6 | N2 | C8 | 154.4° | 155.0° |
| C5 | C6 | C7 | N3 | 110.5° | 120.0° |
| C6 | C5 | C4 | H3 | 0.6° | 0.1° |
| C5 | C6 | C7 | H6 | 69.5° | 60.0° |
| C6 | C5 | C1 | H1 | 0.4° | 0.0° |
| C5 | C6 | N2 | H5 | 25.6° | 25.0° |
| N2 | C6 | C7 | H4 | 120.5° | 120.0° |
| C6 | N2 | C8 | H5 | 180.0° | 180.0° |
| N2 | C6 | C7 | N3 | 132.8° | 0.0° |
| C6 | N2 | C8 | C9 | 178.6° | 180.0° |
| C6 | N2 | C8 | O1 | 0.1° | 0.0° |
| N2 | C6 | C7 | H6 | 47.2° | 180.0° |
| C7 | C6 | N2 | C8 | 82.3° | 85.0° |
| C6 | C7 | N3 | H6 | 180.0° | 179.9° |
| C6 | C7 | N3 | H7 | 0.0° | 0.0° |
| C7 | C6 | N2 | H5 | 97.7° | 95.0° |
| N2 | C8 | C9 | O1 | 178.8° | 180.0° |
| N2 | C8 | C9 | C10 | 142.9° | 80.0° |
| N2 | C8 | C9 | N4 | 102.5° | 164.8° |
| C8 | N2 | C6 | H4 | 37.5° | 35.0° |
| N2 | C8 | C9 | H8 | 19.3° | 42.3° |
| N3 | C7 | C6 | H4 | 12.3° | 120.0° |
| C8 | C9 | C10 | N4 | 118.9° | 118.8° |
| C8 | C9 | C10 | H8 | 123.4° | 122.3° |
| C8 | C9 | N4 | H8 | 121.2° | 122.4° |
| C8 | C9 | C10 | C11 | 97.3° | 94.9° |
| C8 | C9 | C10 | C13 | 162.9° | 158.2° |
| C8 | C9 | N4 | C12 | 91.2° | 79.2° |
| C8 | C9 | N4 | C16 | 90.0° | 100.8° |
| C8 | C9 | C10 | H9 | 37.1° | 44.7° |
| C9 | C8 | N2 | H5 | 1.4° | 0.0° |
| O1 | C8 | C9 | C10 | 38.3° | 100.0° |
| O1 | C8 | C9 | N4 | 76.3° | 15.2° |
| O1 | C8 | C9 | H8 | 161.8° | 137.6° |
| O1 | C8 | N2 | H5 | 179.8° | 180.0° |
| C10 | C9 | N4 | H8 | 117.1° | 118.8° |
| C9 | C10 | C11 | C13 | 118.8° | 114.1° |
| C9 | C10 | C11 | H9 | 134.4° | 137.8° |
| C9 | C10 | C13 | H9 | 160.0° | 156.7° |
| C9 | C10 | C11 | C12 | 6.2° | 0.0° |
| C10 | C9 | N4 | C12 | 30.5° | 39.5° |
| C10 | C9 | N4 | C16 | 148.4° | 140.4° |
| C9 | C10 | C13 | C14 | 7.2° | 16.1° |
| C9 | C10 | C13 | C15 | 146.2° | 160.8° |
| C9 | C10 | C11 | H10 | 132.4° | 136.9° |
| N4 | C9 | C10 | C11 | 21.6° | 23.9° |
| N4 | C9 | C10 | C13 | 44.1° | 39.5° |
| C9 | N4 | C12 | C11 | 26.7° | 39.5° |
| C9 | N4 | C12 | C16 | 178.6° | 180.0° |
| C9 | N4 | C16 | O2 | 0.8° | 4.1° |
| C9 | N4 | C16 | C17 | 179.3° | 175.9° |
| N4 | C9 | C10 | H9 | 156.0° | 163.5° |
| C9 | N4 | C12 | H11 | 92.3° | 79.2° |
| C9 | N4 | C12 | H12 | 145.6° | 158.4° |
| C11 | C10 | C13 | H9 | 107.3° | 111.8° |
| C10 | C11 | C12 | C13 | 64.9° | 63.3° |
| C10 | C11 | C12 | H10 | 138.8° | 139.1° |
| C10 | C11 | C13 | H10 | 109.2° | 111.5° |
| C10 | C11 | C12 | N4 | 11.5° | 23.8° |
| C11 | C10 | C13 | C14 | 99.9° | 107.6° |
| C11 | C10 | C13 | C15 | 121.2° | 107.6° |
| C10 | C11 | C12 | H11 | 107.5° | 94.9° |
| C10 | C11 | C12 | H12 | 130.4° | 142.6° |
| C11 | C10 | C9 | H8 | 139.3° | 142.8° |
| C10 | C13 | C14 | C15 | 139.2° | 145.4° |
| C10 | C13 | C15 | H17 | 180.0° | 60.0° |
| C10 | C13 | C15 | H18 | 60.0° | 180.0° |
| C10 | C13 | C15 | H16 | 60.0° | 60.0° |
| C10 | C13 | C14 | H15 | 180.0° | 60.0° |
| C10 | C13 | C14 | H13 | 60.0° | 180.0° |
| C10 | C13 | C14 | H14 | 60.0° | 60.0° |
| C13 | C10 | C9 | H8 | 73.6° | 79.4° |
| C12 | C11 | C13 | H10 | 156.2° | 157.0° |
| C11 | C12 | N4 | H11 | 118.9° | 118.7° |
| C11 | C12 | N4 | H12 | 118.9° | 118.9° |
| C11 | C12 | N4 | C16 | 151.9° | 140.4° |
| C12 | C11 | C13 | C14 | 29.2° | 16.1° |
| C12 | C11 | C13 | C15 | 172.6° | 160.8° |
| C12 | C11 | C10 | H9 | 140.6° | 137.8° |
| C11 | C12 | H11 | H12 | 123.1° | 122.5° |
| C13 | C11 | C12 | N4 | 53.5° | 39.5° |
| C11 | C13 | C14 | C15 | 149.5° | 145.3° |
| C11 | C13 | C15 | H17 | 114.2° | 129.3° |
| C11 | C13 | C15 | H18 | 5.8° | 110.7° |
| C11 | C13 | C15 | H16 | 125.8° | 9.2° |
| C13 | C11 | C12 | H11 | 172.4° | 158.2° |
| C13 | C11 | C12 | H12 | 65.4° | 79.3° |
| C11 | C13 | C14 | H15 | 108.7° | 9.3° |
| C11 | C13 | C14 | H13 | 131.3° | 110.7° |
| C11 | C13 | C14 | H14 | 11.3° | 129.2° |
| C12 | N4 | C16 | O2 | 179.3° | 175.8° |
| C12 | N4 | C16 | C17 | 0.8° | 4.2° |
| N4 | C12 | C11 | H10 | 150.3° | 162.9° |
| N4 | C12 | H11 | H12 | 123.1° | 122.4° |
| C12 | N4 | C9 | H8 | 147.6° | 158.4° |
| N4 | C16 | O2 | C17 | 179.9° | 180.0° |
| N4 | C16 | C17 | N5 | 113.2° | 152.1° |
| N4 | C16 | C17 | C19 | 120.2° | 87.8° |
| N4 | C16 | C17 | H19 | 1.3° | 32.1° |
| C16 | N4 | C12 | H11 | 89.1° | 100.8° |
| C16 | N4 | C12 | H12 | 33.0° | 21.6° |
| C16 | N4 | C9 | H8 | 31.2° | 21.6° |
| C14 | C13 | C10 | H9 | 152.8° | 140.6° |
| C14 | C13 | C15 | H17 | 31.5° | 85.4° |
| C14 | C13 | C15 | H18 | 151.5° | 34.6° |
| C14 | C13 | C15 | H16 | 88.5° | 154.5° |
| C14 | C13 | C11 | H10 | 127.0° | 140.8° |
| C13 | C14 | H15 | H13 | 120.0° | 120.0° |
| C13 | C14 | H15 | H14 | 120.0° | 120.0° |
| C13 | C14 | H13 | H14 | 120.0° | 120.0° |
| C15 | C13 | C10 | H9 | 13.9° | 4.2° |
| C13 | C15 | H17 | H18 | 120.0° | 120.0° |
| C13 | C15 | H17 | H16 | 120.0° | 120.0° |
| C13 | C15 | H18 | H16 | 120.0° | 119.9° |
| C15 | C13 | C11 | H10 | 16.4° | 3.8° |
| C15 | C13 | C14 | H15 | 40.7° | 154.6° |
| C15 | C13 | C14 | H13 | 79.2° | 34.6° |
| C15 | C13 | C14 | H14 | 160.8° | 85.4° |
| O2 | C16 | C17 | N5 | 66.9° | 27.9° |
| O2 | C16 | C17 | C19 | 59.7° | 92.2° |
| O2 | C16 | C17 | H19 | 178.6° | 147.9° |
| C16 | C17 | N5 | C19 | 127.3° | 120.0° |
| C16 | C17 | N5 | H19 | 113.9° | 119.9° |
| C16 | C17 | C19 | H19 | 119.2° | 119.9° |
| C16 | C17 | N5 | C18 | 112.8° | 155.0° |
| C16 | C17 | C19 | C20 | 141.2° | 57.0° |
| C16 | C17 | C19 | C21 | 21.8° | 63.0° |
| C16 | C17 | C19 | C22 | 97.9° | 177.0° |
| C16 | C17 | N5 | H20 | 67.2° | 25.0° |
| N5 | C17 | C19 | H19 | 119.5° | 120.1° |
| C17 | N5 | C18 | H20 | 180.0° | 179.9° |
| C17 | N5 | C18 | O3 | 1.1° | 0.1° |
| C17 | N5 | C18 | C23 | 179.5° | 180.0° |
| N5 | C17 | C19 | C20 | 97.4° | 63.0° |
| N5 | C17 | C19 | C21 | 143.2° | 177.0° |
| N5 | C17 | C19 | C22 | 23.5° | 57.0° |
| C19 | C17 | N5 | C18 | 119.9° | 84.9° |
| C17 | C19 | C20 | C21 | 121.7° | 120.0° |
| C17 | C19 | C20 | C22 | 124.8° | 120.0° |
| C17 | C19 | C21 | C22 | 125.1° | 120.0° |
| C17 | C19 | C20 | H21 | 180.0° | 60.0° |
| C17 | C19 | C20 | H23 | 60.0° | 180.0° |
| C17 | C19 | C20 | H22 | 60.0° | 59.9° |
| C17 | C19 | C21 | H25 | 180.0° | 56.1° |
| C17 | C19 | C21 | H24 | 60.0° | 176.0° |
| C17 | C19 | C21 | H26 | 60.0° | 63.9° |
| C17 | C19 | C22 | H28 | 180.0° | 60.0° |
| C17 | C19 | C22 | H29 | 60.0° | 180.0° |
| C17 | C19 | C22 | H27 | 60.0° | 60.0° |
| C19 | C17 | N5 | H20 | 60.1° | 95.0° |
| N5 | C18 | O3 | C23 | 179.4° | 179.9° |
| N5 | C18 | C23 | F2 | 73.4° | 180.0° |
| N5 | C18 | C23 | F3 | 165.3° | 60.0° |
| N5 | C18 | C23 | F4 | 44.8° | 60.1° |
| C18 | N5 | C17 | H19 | 1.1° | 35.1° |
| O3 | C18 | C23 | F2 | 106.1° | 0.0° |
| O3 | C18 | C23 | F3 | 15.2° | 119.9° |
| O3 | C18 | C23 | F4 | 135.7° | 120.0° |
| O3 | C18 | N5 | H20 | 178.9° | 180.0° |
| C18 | C23 | F2 | F3 | 124.9° | 120.0° |
| C18 | C23 | F2 | F4 | 119.9° | 120.0° |
| C18 | C23 | F3 | F4 | 121.7° | 120.1° |
| C23 | C18 | N5 | H20 | 0.5° | 0.1° |
| C20 | C19 | C21 | C22 | 115.5° | 120.0° |
| C20 | C19 | C17 | H19 | 22.1° | 176.9° |
| C19 | C20 | H21 | H23 | 120.0° | 120.0° |
| C19 | C20 | H21 | H22 | 120.0° | 120.0° |
| C19 | C20 | H23 | H22 | 120.0° | 120.0° |
| C20 | C19 | C21 | H25 | 60.6° | 176.1° |
| C20 | C19 | C21 | H24 | 179.4° | 64.0° |
| C20 | C19 | C21 | H26 | 59.4° | 56.1° |
| C20 | C19 | C22 | H28 | 59.1° | 60.0° |
| C20 | C19 | C22 | H29 | 61.0° | 60.0° |
| C20 | C19 | C22 | H27 | 179.0° | 180.0° |
| C21 | C19 | C17 | H19 | 97.3° | 56.9° |
| C21 | C19 | C20 | H21 | 58.4° | 60.0° |
| C21 | C19 | C20 | H23 | 61.7° | 60.0° |
| C21 | C19 | C20 | H22 | 178.3° | 180.0° |
| C19 | C21 | H25 | H24 | 120.0° | 120.0° |
| C19 | C21 | H25 | H26 | 120.0° | 120.0° |
| C19 | C21 | H24 | H26 | 120.0° | 120.0° |
| C21 | C19 | C22 | H28 | 56.6° | 180.0° |
| C21 | C19 | C22 | H29 | 176.6° | 60.0° |
| C21 | C19 | C22 | H27 | 63.4° | 60.0° |
| C22 | C19 | C17 | H19 | 142.9° | 63.1° |
| C22 | C19 | C20 | H21 | 55.2° | 180.0° |
| C22 | C19 | C20 | H23 | 175.2° | 60.0° |
| C22 | C19 | C20 | H22 | 64.8° | 60.0° |
| C22 | C19 | C21 | H25 | 54.9° | 63.9° |
| C22 | C19 | C21 | H24 | 65.1° | 56.0° |
| C22 | C19 | C21 | H26 | 174.9° | 176.1° |
| C19 | C22 | H28 | H29 | 120.0° | 119.9° |
| C19 | C22 | H28 | H27 | 120.0° | 120.0° |
| C19 | C22 | H29 | H27 | 120.0° | 120.0° |
| F2 | C23 | F3 | F4 | 114.9° | 120.0° |
| H7 | N3 | C7 | H6 | 180.0° | 180.0° |
| H4 | C6 | C7 | H6 | 167.7° | 60.0° |
| H4 | C6 | N2 | H5 | 142.5° | 145.0° |
| H9 | C10 | C11 | H10 | 2.0° | 0.8° |
| H9 | C10 | C9 | H8 | 86.4° | 77.6° |
| H17 | C15 | H18 | H16 | 120.0° | 120.1° |
| H19 | C17 | N5 | H20 | 178.9° | 145.0° |
| H21 | C20 | H23 | H22 | 119.9° | 120.0° |
| H25 | C21 | H24 | H26 | 120.0° | 120.0° |
| H28 | C22 | H29 | H27 | 119.9° | 120.0° |
| H10 | C11 | C12 | H11 | 31.3° | 44.2° |
| H10 | C11 | C12 | H12 | 90.8° | 78.2° |
| H15 | C14 | H13 | H14 | 120.0° | 120.0° |
