A1B8X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C19 | sing | 1.74Å | 1.75Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N4 | C21 | sing | 1.37Å | 1.35Å | Aromatic |
| N4 | N5 | sing | 1.40Å | 1.36Å | Aromatic |
| C21 | C23 | sing | 1.41Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N5 | C22 | doub | 1.30Å | 1.32Å | Aromatic |
| C23 | C22 | sing | 1.46Å | 1.41Å | Aromatic |
| C23 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.37Å | 1.39Å | Aromatic |
| C17 | C8 | sing | 1.51Å | 1.52Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C8 | C1 | sing | 1.51Å | 1.54Å | |
| C8 | N2 | sing | 1.46Å | 1.45Å | |
| C1 | N1 | sing | 1.35Å | 1.34Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N2 | C9 | sing | 1.40Å | 1.39Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C9 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | O2 | sing | 1.43Å | 1.43Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C15 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| O2 | C5 | sing | 1.43Å | 1.43Å | |
| C12 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | N3 | sing | 1.48Å | 1.47Å | |
| N3 | C16 | sing | 1.48Å | 1.47Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 1.01Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.09Å | 1.10Å | |
| C3 | H20 | sing | 1.09Å | 1.10Å | |
| N2 | H21 | sing | 0.97Å | 1.00Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C19 | C20 | 117.2° | 119.7° |
| CL1 | C19 | C18 | 120.5° | 119.7° |
| C21 | C20 | C19 | 116.9° | 119.7° |
| C20 | C21 | N4 | 130.7° | 133.8° |
| C20 | C21 | C23 | 122.4° | 119.4° |
| C21 | C20 | H16 | 121.6° | 120.2° |
| C20 | C19 | C18 | 122.3° | 120.7° |
| C19 | C20 | H16 | 121.5° | 120.1° |
| C21 | N4 | N5 | 111.2° | 109.1° |
| N4 | C21 | C23 | 106.9° | 106.8° |
| C21 | N4 | H27 | 124.4° | 125.5° |
| N4 | N5 | C22 | 106.6° | 110.1° |
| N5 | N4 | H27 | 124.4° | 125.5° |
| C21 | C23 | C22 | 104.4° | 106.3° |
| C21 | C23 | C17 | 120.0° | 119.8° |
| C19 | C18 | C17 | 120.7° | 120.6° |
| C19 | C18 | H26 | 119.6° | 119.8° |
| N5 | C22 | C23 | 110.8° | 107.8° |
| N5 | C22 | H17 | 124.6° | 126.1° |
| C22 | C23 | C17 | 135.6° | 133.9° |
| C23 | C22 | H17 | 124.6° | 126.1° |
| C23 | C17 | C18 | 117.7° | 119.8° |
| C23 | C17 | C8 | 119.6° | 120.1° |
| C18 | C17 | C8 | 122.4° | 120.1° |
| C17 | C18 | H26 | 119.6° | 119.6° |
| C17 | C8 | C1 | 109.8° | 109.5° |
| C17 | C8 | N2 | 115.2° | 109.5° |
| C17 | C8 | H12 | 106.7° | 109.4° |
| O1 | C1 | C8 | 120.5° | 120.0° |
| O1 | C1 | N1 | 122.2° | 120.0° |
| C1 | C8 | N2 | 110.6° | 109.5° |
| C8 | C1 | N1 | 117.2° | 120.0° |
| C1 | C8 | H12 | 106.4° | 109.5° |
| C8 | N2 | C9 | 122.5° | 120.0° |
| N2 | C8 | H12 | 107.5° | 109.5° |
| C8 | N2 | H21 | 106.1° | 120.0° |
| C1 | N1 | C2 | 124.7° | 120.0° |
| C1 | N1 | H1 | 117.6° | 120.1° |
| N1 | C2 | C3 | 112.9° | 109.5° |
| C2 | N1 | H1 | 117.7° | 120.0° |
| N1 | C2 | H18 | 108.6° | 109.4° |
| N1 | C2 | H19 | 108.6° | 109.5° |
| N2 | C9 | C14 | 119.9° | 120.1° |
| N2 | C9 | C10 | 119.6° | 120.1° |
| C9 | N2 | H21 | 106.1° | 120.0° |
| C2 | C3 | C7 | 112.3° | 109.5° |
| C2 | C3 | C4 | 111.7° | 109.6° |
| C3 | C2 | H18 | 108.6° | 109.5° |
| C3 | C2 | H19 | 108.6° | 109.5° |
| C2 | C3 | H20 | 107.4° | 109.5° |
| C14 | C9 | C10 | 120.6° | 119.8° |
| C9 | C14 | C13 | 118.4° | 120.0° |
| C9 | C14 | H23 | 120.8° | 120.1° |
| C9 | C10 | C11 | 120.2° | 119.9° |
| C9 | C10 | H13 | 119.9° | 120.0° |
| C7 | C3 | C4 | 110.7° | 109.0° |
| C3 | C7 | C6 | 112.1° | 109.2° |
| C3 | C7 | H10 | 108.8° | 109.5° |
| C3 | C7 | H11 | 108.8° | 109.6° |
| C7 | C3 | H20 | 107.3° | 109.6° |
| C3 | C4 | C5 | 112.0° | 109.2° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| C3 | C4 | H5 | 108.8° | 109.6° |
| C4 | C3 | H20 | 107.3° | 109.5° |
| C7 | C6 | O2 | 112.4° | 109.4° |
| C7 | C6 | H8 | 108.7° | 109.5° |
| C7 | C6 | H9 | 108.7° | 109.5° |
| C6 | C7 | H10 | 108.8° | 109.5° |
| C6 | C7 | H11 | 108.8° | 109.6° |
| C14 | C13 | C12 | 120.8° | 120.0° |
| C14 | C13 | C15 | 129.9° | 131.7° |
| C13 | C14 | H23 | 120.8° | 119.9° |
| C10 | C11 | C12 | 119.0° | 120.1° |
| C11 | C10 | H13 | 119.9° | 120.0° |
| C10 | C11 | H22 | 120.5° | 119.9° |
| C4 | C5 | O2 | 113.4° | 109.4° |
| C5 | C4 | H4 | 108.9° | 109.5° |
| C5 | C4 | H5 | 108.8° | 109.5° |
| C4 | C5 | H6 | 108.5° | 109.5° |
| C4 | C5 | H7 | 108.5° | 109.5° |
| C6 | O2 | C5 | 112.6° | 114.1° |
| O2 | C6 | H8 | 108.8° | 109.5° |
| O2 | C6 | H9 | 108.7° | 109.5° |
| C12 | C13 | C15 | 109.3° | 108.3° |
| C13 | C12 | C11 | 121.0° | 120.1° |
| C13 | C12 | C16 | 109.1° | 108.2° |
| C13 | C15 | N3 | 101.5° | 105.7° |
| C13 | C15 | H14 | 111.4° | 110.2° |
| C13 | C15 | H15 | 111.4° | 110.2° |
| C11 | C12 | C16 | 129.7° | 131.7° |
| C12 | C11 | H22 | 120.5° | 119.9° |
| O2 | C5 | H6 | 108.5° | 109.5° |
| O2 | C5 | H7 | 108.5° | 109.5° |
| C12 | C16 | N3 | 101.4° | 105.7° |
| C12 | C16 | H24 | 111.4° | 110.2° |
| C12 | C16 | H25 | 111.4° | 110.2° |
| C15 | N3 | C16 | 108.1° | 103.9° |
| C15 | N3 | H2 | 109.8° | 111.0° |
| N3 | C15 | H14 | 111.4° | 110.2° |
| N3 | C15 | H15 | 111.4° | 110.2° |
| C16 | N3 | H2 | 109.8° | 111.0° |
| N3 | C16 | H24 | 111.4° | 110.2° |
| N3 | C16 | H25 | 111.5° | 110.2° |
| H4 | C4 | H5 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 110.3° |
| H18 | C2 | H19 | 109.4° | 109.5° |
| H24 | C16 | H25 | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C19 | C20 | C21 | 178.6° | 179.8° |
| CL1 | C19 | C20 | C18 | 178.3° | 180.0° |
| CL1 | C19 | C18 | C17 | 179.7° | 180.0° |
| CL1 | C19 | C20 | H16 | 1.4° | 0.0° |
| CL1 | C19 | C18 | H26 | 0.3° | 0.0° |
| C21 | C20 | C19 | H16 | 180.0° | 179.7° |
| C20 | C21 | N4 | C23 | 179.4° | 179.7° |
| C20 | C21 | N4 | N5 | 179.2° | 180.0° |
| C21 | C20 | C19 | C18 | 3.1° | 0.2° |
| C20 | C21 | C23 | C22 | 178.9° | 179.9° |
| C20 | C21 | C23 | C17 | 1.0° | 0.0° |
| C20 | C21 | N4 | H27 | 0.8° | 0.1° |
| C19 | C20 | C21 | N4 | 177.7° | 179.9° |
| C19 | C20 | C21 | C23 | 2.9° | 0.2° |
| C20 | C19 | C18 | C17 | 1.5° | 0.0° |
| C20 | C19 | C18 | H26 | 178.5° | 180.0° |
| C21 | N4 | N5 | H27 | 180.0° | 179.9° |
| C21 | N4 | N5 | C22 | 0.2° | 0.3° |
| N4 | C21 | C23 | C22 | 0.6° | 0.2° |
| N4 | C21 | C23 | C17 | 179.5° | 179.8° |
| N4 | C21 | C20 | H16 | 2.3° | 0.3° |
| N5 | N4 | C21 | C23 | 0.2° | 0.3° |
| N4 | N5 | C22 | C23 | 0.6° | 0.2° |
| N4 | N5 | C22 | H17 | 179.4° | 179.8° |
| C21 | C23 | C22 | N5 | 0.7° | 0.0° |
| C21 | C23 | C22 | C17 | 179.9° | 180.0° |
| C21 | C23 | C17 | C18 | 0.8° | 0.2° |
| C21 | C23 | C17 | C8 | 173.8° | 180.0° |
| C23 | C21 | C20 | H16 | 177.1° | 180.0° |
| C21 | C23 | C22 | H17 | 179.3° | 180.0° |
| C23 | C21 | N4 | H27 | 179.8° | 179.8° |
| C19 | C18 | C17 | C23 | 0.6° | 0.3° |
| C19 | C18 | C17 | H26 | 180.0° | 180.0° |
| C19 | C18 | C17 | C8 | 173.9° | 180.0° |
| C18 | C19 | C20 | H16 | 176.9° | 180.0° |
| N5 | C22 | C23 | H17 | 180.0° | 180.0° |
| N5 | C22 | C23 | C17 | 179.4° | 180.0° |
| C22 | N5 | N4 | H27 | 179.7° | 179.8° |
| C22 | C23 | C17 | C18 | 179.3° | 179.8° |
| C22 | C23 | C17 | C8 | 6.1° | 0.1° |
| C23 | C17 | C18 | C8 | 174.5° | 179.7° |
| C23 | C17 | C8 | C1 | 93.7° | 80.3° |
| C23 | C17 | C8 | N2 | 140.5° | 159.7° |
| C23 | C17 | C8 | H12 | 21.3° | 39.7° |
| C17 | C23 | C22 | H17 | 0.6° | 0.0° |
| C23 | C17 | C18 | H26 | 179.5° | 179.7° |
| C18 | C17 | C8 | C1 | 80.7° | 100.0° |
| C18 | C17 | C8 | N2 | 45.1° | 20.0° |
| C18 | C17 | C8 | H12 | 164.4° | 140.0° |
| C17 | C8 | C1 | O1 | 71.4° | 120.0° |
| C17 | C8 | C1 | N2 | 128.3° | 120.0° |
| C17 | C8 | C1 | H12 | 115.1° | 120.0° |
| C17 | C8 | N2 | H12 | 118.8° | 120.0° |
| C17 | C8 | C1 | N1 | 106.5° | 60.0° |
| C17 | C8 | N2 | C9 | 171.6° | 85.0° |
| C17 | C8 | N2 | H21 | 49.8° | 95.1° |
| C8 | C17 | C18 | H26 | 6.1° | 0.0° |
| O1 | C1 | C8 | N1 | 177.9° | 180.0° |
| O1 | C1 | C8 | N2 | 56.9° | 0.1° |
| O1 | C1 | N1 | C2 | 170.0° | 0.0° |
| O1 | C1 | N1 | H1 | 9.9° | 179.7° |
| O1 | C1 | C8 | H12 | 173.5° | 120.0° |
| C1 | C8 | N2 | H12 | 115.9° | 120.1° |
| C8 | C1 | N1 | C2 | 12.1° | 180.0° |
| C1 | C8 | N2 | C9 | 63.1° | 155.0° |
| C8 | C1 | N1 | H1 | 167.9° | 0.3° |
| C1 | C8 | N2 | H21 | 175.1° | 24.9° |
| N2 | C8 | C1 | N1 | 125.2° | 180.0° |
| C8 | N2 | C9 | H21 | 121.8° | 179.9° |
| C8 | N2 | C9 | C14 | 95.5° | 180.0° |
| C8 | N2 | C9 | C10 | 83.5° | 0.0° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 125.5° | 179.8° |
| N1 | C1 | C8 | H12 | 8.6° | 59.9° |
| C1 | N1 | C2 | H18 | 114.0° | 60.2° |
| C1 | N1 | C2 | H19 | 4.9° | 59.7° |
| N1 | C2 | C3 | H18 | 120.5° | 120.0° |
| N1 | C2 | C3 | H19 | 120.5° | 120.0° |
| N1 | C2 | C3 | C7 | 48.3° | 175.0° |
| N1 | C2 | C3 | C4 | 76.7° | 65.4° |
| N1 | C2 | H18 | H19 | 118.4° | 120.0° |
| N1 | C2 | C3 | H20 | 165.9° | 54.7° |
| N2 | C9 | C14 | C10 | 178.9° | 180.0° |
| N2 | C9 | C14 | C13 | 179.9° | 180.0° |
| N2 | C9 | C10 | C11 | 178.9° | 180.0° |
| C9 | N2 | C8 | H12 | 52.8° | 35.0° |
| N2 | C9 | C10 | H13 | 1.1° | 0.0° |
| N2 | C9 | C14 | H23 | 0.1° | 0.0° |
| C2 | C3 | C7 | C4 | 125.5° | 119.9° |
| C2 | C3 | C7 | H20 | 117.7° | 120.2° |
| C2 | C3 | C4 | H20 | 117.4° | 120.2° |
| C2 | C3 | C7 | C6 | 164.8° | 176.9° |
| C2 | C3 | C4 | C5 | 179.0° | 176.9° |
| C3 | C2 | N1 | H1 | 54.5° | 0.0° |
| C2 | C3 | C4 | H4 | 60.6° | 57.0° |
| C2 | C3 | C4 | H5 | 58.7° | 63.2° |
| C2 | C3 | C7 | H10 | 44.4° | 63.2° |
| C2 | C3 | C7 | H11 | 74.9° | 56.9° |
| C3 | C2 | H18 | H19 | 118.4° | 120.0° |
| C9 | C14 | C13 | H23 | 180.0° | 180.0° |
| C14 | C9 | C10 | C11 | 2.1° | 0.0° |
| C9 | C14 | C13 | C12 | 0.8° | 0.0° |
| C9 | C14 | C13 | C15 | 178.3° | 180.0° |
| C14 | C9 | C10 | H13 | 177.9° | 180.0° |
| C14 | C9 | N2 | H21 | 142.8° | 0.0° |
| C10 | C9 | C14 | C13 | 1.0° | 0.0° |
| C9 | C10 | C11 | H13 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 2.9° | 0.0° |
| C10 | C9 | N2 | H21 | 38.3° | 179.9° |
| C9 | C10 | C11 | H22 | 177.1° | 180.0° |
| C10 | C9 | C14 | H23 | 179.0° | 179.9° |
| C7 | C3 | C4 | H20 | 116.7° | 119.9° |
| C3 | C7 | C6 | H10 | 120.4° | 119.9° |
| C3 | C7 | C6 | H11 | 120.4° | 120.0° |
| C7 | C3 | C4 | C5 | 53.2° | 57.0° |
| C3 | C7 | C6 | O2 | 16.2° | 57.6° |
| C7 | C3 | C4 | H4 | 173.6° | 62.9° |
| C7 | C3 | C4 | H5 | 67.2° | 176.9° |
| C3 | C7 | C6 | H8 | 104.3° | 177.6° |
| C3 | C7 | C6 | H9 | 136.6° | 62.4° |
| C3 | C7 | H10 | H11 | 118.8° | 120.1° |
| C7 | C3 | C2 | H18 | 72.3° | 65.0° |
| C7 | C3 | C2 | H19 | 168.8° | 55.0° |
| C4 | C3 | C7 | C6 | 39.3° | 57.0° |
| C3 | C4 | C5 | H4 | 120.4° | 119.9° |
| C3 | C4 | C5 | H5 | 120.4° | 120.0° |
| C3 | C4 | C5 | O2 | 10.0° | 57.6° |
| C3 | C4 | H4 | H5 | 118.8° | 120.2° |
| C3 | C4 | C5 | H6 | 110.5° | 62.4° |
| C3 | C4 | C5 | H7 | 130.6° | 177.6° |
| C4 | C3 | C7 | H10 | 81.1° | 176.9° |
| C4 | C3 | C7 | H11 | 159.6° | 63.0° |
| C4 | C3 | C2 | H18 | 162.8° | 54.5° |
| C4 | C3 | C2 | H19 | 43.8° | 174.5° |
| C7 | C6 | O2 | H8 | 120.4° | 120.0° |
| C7 | C6 | O2 | H9 | 120.4° | 120.0° |
| C7 | C6 | O2 | C5 | 63.2° | 61.2° |
| C7 | C6 | H8 | H9 | 118.6° | 120.1° |
| C6 | C7 | H10 | H11 | 118.8° | 120.2° |
| C6 | C7 | C3 | H20 | 77.5° | 62.9° |
| C14 | C13 | C12 | C15 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 1.7° | 0.1° |
| C14 | C13 | C12 | C16 | 177.7° | 180.0° |
| C14 | C13 | C15 | N3 | 163.0° | 162.5° |
| C14 | C13 | C15 | H14 | 78.3° | 78.5° |
| C14 | C13 | C15 | H15 | 44.3° | 43.5° |
| C10 | C11 | C12 | C13 | 2.8° | 0.1° |
| C10 | C11 | C12 | H22 | 180.0° | 180.0° |
| C10 | C11 | C12 | C16 | 177.9° | 180.0° |
| C4 | C5 | O2 | C6 | 48.5° | 61.2° |
| C4 | C5 | O2 | H6 | 120.6° | 120.0° |
| C4 | C5 | O2 | H7 | 120.6° | 120.0° |
| C5 | C4 | H4 | H5 | 118.8° | 120.1° |
| C4 | C5 | H6 | H7 | 118.2° | 120.0° |
| C5 | C4 | C3 | H20 | 63.5° | 63.0° |
| C6 | O2 | C5 | H6 | 169.1° | 58.8° |
| C6 | O2 | C5 | H7 | 72.1° | 178.8° |
| O2 | C6 | H8 | H9 | 118.7° | 120.0° |
| O2 | C6 | C7 | H10 | 136.6° | 177.5° |
| O2 | C6 | C7 | H11 | 104.2° | 62.3° |
| C13 | C12 | C11 | C16 | 175.1° | 179.9° |
| C12 | C13 | C15 | N3 | 17.8° | 17.6° |
| C13 | C12 | C16 | N3 | 20.2° | 17.5° |
| C12 | C13 | C15 | H14 | 100.9° | 101.5° |
| C12 | C13 | C15 | H15 | 136.5° | 136.6° |
| C13 | C12 | C11 | H22 | 177.2° | 180.0° |
| C12 | C13 | C14 | H23 | 179.2° | 179.9° |
| C13 | C12 | C16 | H24 | 138.8° | 136.5° |
| C13 | C12 | C16 | H25 | 98.5° | 101.6° |
| C15 | C13 | C12 | C11 | 177.5° | 180.0° |
| C15 | C13 | C12 | C16 | 1.5° | 0.0° |
| C13 | C15 | N3 | H14 | 118.7° | 119.1° |
| C13 | C15 | N3 | H15 | 118.7° | 119.0° |
| C13 | C15 | N3 | C16 | 31.1° | 27.6° |
| C13 | C15 | N3 | H2 | 150.9° | 91.7° |
| C13 | C15 | H14 | H15 | 123.7° | 121.9° |
| C15 | C13 | C14 | H23 | 1.7° | 0.0° |
| C11 | C12 | C16 | N3 | 164.3° | 162.4° |
| C12 | C11 | C10 | H13 | 177.0° | 180.0° |
| C11 | C12 | C16 | H24 | 45.6° | 43.4° |
| C11 | C12 | C16 | H25 | 77.0° | 78.5° |
| O2 | C5 | C4 | H4 | 130.4° | 62.3° |
| O2 | C5 | C4 | H5 | 110.3° | 177.6° |
| O2 | C5 | H6 | H7 | 118.2° | 120.0° |
| C5 | O2 | C6 | H8 | 57.2° | 178.8° |
| C5 | O2 | C6 | H9 | 176.4° | 58.8° |
| C12 | C16 | N3 | C15 | 32.0° | 27.6° |
| C12 | C16 | N3 | H24 | 118.7° | 119.1° |
| C12 | C16 | N3 | H25 | 118.7° | 119.0° |
| C12 | C16 | N3 | H2 | 151.8° | 91.7° |
| C16 | C12 | C11 | H22 | 2.2° | 0.1° |
| C12 | C16 | H24 | H25 | 123.7° | 121.9° |
| C15 | N3 | C16 | H2 | 119.8° | 119.4° |
| N3 | C15 | H14 | H15 | 123.7° | 121.8° |
| C15 | N3 | C16 | H24 | 150.6° | 146.7° |
| C15 | N3 | C16 | H25 | 86.7° | 91.4° |
| C16 | N3 | C15 | H14 | 87.6° | 91.4° |
| C16 | N3 | C15 | H15 | 149.8° | 146.7° |
| N3 | C16 | H24 | H25 | 123.8° | 121.9° |
| H1 | N1 | C2 | H18 | 66.0° | 120.0° |
| H1 | N1 | C2 | H19 | 175.0° | 120.0° |
| H2 | N3 | C15 | H14 | 32.2° | 149.2° |
| H2 | N3 | C15 | H15 | 90.4° | 27.3° |
| H2 | N3 | C16 | H24 | 89.6° | 27.3° |
| H2 | N3 | C16 | H25 | 33.1° | 149.2° |
| H4 | C4 | C5 | H6 | 9.8° | 177.7° |
| H4 | C4 | C5 | H7 | 109.0° | 57.7° |
| H4 | C4 | C3 | H20 | 56.9° | 177.2° |
| H5 | C4 | C5 | H6 | 129.1° | 57.6° |
| H5 | C4 | C5 | H7 | 10.2° | 62.4° |
| H5 | C4 | C3 | H20 | 176.1° | 57.0° |
| H8 | C6 | C7 | H10 | 16.1° | 62.5° |
| H8 | C6 | C7 | H11 | 135.3° | 57.6° |
| H9 | C6 | C7 | H10 | 103.0° | 57.5° |
| H9 | C6 | C7 | H11 | 16.2° | 177.7° |
| H10 | C7 | C3 | H20 | 162.1° | 57.0° |
| H11 | C7 | C3 | H20 | 42.9° | 177.1° |
| H12 | C8 | N2 | H21 | 69.0° | 145.0° |
| H13 | C10 | C11 | H22 | 2.9° | 0.0° |
| H18 | C2 | C3 | H20 | 45.4° | 174.7° |
| H19 | C2 | C3 | H20 | 73.6° | 65.3° |
