A1A2S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C20 | sing | 1.74Å | 1.74Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.51Å | 1.51Å | |
| N6 | C15 | sing | 1.47Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.47Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C10 | C8 | sing | 1.53Å | 1.49Å | |
| C17 | C12 | sing | 1.53Å | 1.53Å | |
| C8 | C6 | sing | 1.51Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | N5 | sing | 1.46Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C6 | S1 | sing | 1.76Å | 1.67Å | Aromatic |
| C6 | C7 | doub | 1.33Å | 1.36Å | Aromatic |
| N5 | C1 | sing | 1.38Å | 1.34Å | |
| S1 | C5 | sing | 1.71Å | 1.68Å | Aromatic |
| C7 | N4 | sing | 1.32Å | 1.38Å | Aromatic |
| C1 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | N4 | doub | 1.30Å | 1.34Å | Aromatic |
| C5 | N3 | sing | 1.39Å | 1.37Å | |
| N2 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.39Å | 1.39Å | |
| C2 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.08Å | 1.08Å | |
| C22 | H13 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å | |
| N5 | H25 | sing | 0.97Å | 1.00Å | |
| N6 | H26 | sing | 1.01Å | 1.00Å | |
| N6 | H27 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C20 | C21 | 120.5° | 120.0° |
| CL1 | C20 | C19 | 118.1° | 120.0° |
| C21 | C20 | C19 | 121.4° | 120.0° |
| C20 | C21 | C22 | 118.6° | 120.0° |
| C20 | C21 | H12 | 120.7° | 120.0° |
| C20 | C19 | C18 | 120.3° | 120.0° |
| C20 | C19 | H20 | 119.8° | 120.0° |
| C21 | C22 | C23 | 120.5° | 120.0° |
| C22 | C21 | H12 | 120.7° | 120.0° |
| C21 | C22 | H13 | 119.8° | 120.0° |
| C19 | C18 | C23 | 118.5° | 120.0° |
| C19 | C18 | C16 | 120.0° | 120.0° |
| C18 | C19 | H20 | 119.9° | 120.0° |
| C22 | C23 | C18 | 120.7° | 120.0° |
| C23 | C22 | H13 | 119.7° | 120.0° |
| C22 | C23 | H21 | 119.6° | 120.0° |
| C23 | C18 | C16 | 121.4° | 120.0° |
| C18 | C23 | H21 | 119.7° | 120.0° |
| C18 | C16 | C15 | 112.6° | 109.5° |
| C18 | C16 | C17 | 112.9° | 109.4° |
| C18 | C16 | H19 | 107.2° | 109.5° |
| N6 | C15 | C16 | 110.8° | 109.5° |
| N6 | C15 | C14 | 110.5° | 109.5° |
| N6 | C15 | H9 | 108.7° | 109.5° |
| C15 | N6 | H26 | 109.5° | 111.0° |
| C15 | N6 | H27 | 109.5° | 111.0° |
| C10 | C9 | C8 | 60.4° | 60.0° |
| C9 | C10 | C8 | 60.5° | 60.0° |
| C9 | C10 | H5 | 119.9° | 117.5° |
| C9 | C10 | H6 | 119.9° | 117.5° |
| C10 | C9 | H23 | 119.9° | 117.5° |
| C10 | C9 | H24 | 119.9° | 117.5° |
| C9 | C8 | C10 | 59.1° | 60.0° |
| C9 | C8 | C6 | 118.7° | 117.5° |
| C9 | C8 | H4 | 115.5° | 117.5° |
| C8 | C9 | H23 | 120.0° | 117.5° |
| C8 | C9 | H24 | 119.9° | 117.5° |
| C15 | C16 | C17 | 109.8° | 109.5° |
| C16 | C15 | C14 | 110.4° | 109.5° |
| C16 | C15 | H9 | 108.1° | 109.5° |
| C15 | C16 | H19 | 107.0° | 109.5° |
| C16 | C17 | C12 | 114.1° | 109.5° |
| C16 | C17 | H10 | 108.3° | 109.5° |
| C16 | C17 | H11 | 108.3° | 109.4° |
| C17 | C16 | H19 | 107.0° | 109.5° |
| C15 | C14 | C13 | 109.4° | 109.5° |
| C14 | C15 | H9 | 108.2° | 109.5° |
| C15 | C14 | H17 | 109.5° | 109.5° |
| C15 | C14 | H18 | 109.5° | 109.5° |
| C10 | C8 | C6 | 120.0° | 117.5° |
| C10 | C8 | H4 | 115.5° | 117.5° |
| C8 | C10 | H5 | 119.9° | 117.5° |
| C8 | C10 | H6 | 119.9° | 117.5° |
| C17 | C12 | C11 | 112.0° | 109.5° |
| C17 | C12 | C13 | 110.7° | 109.4° |
| C12 | C17 | H10 | 108.3° | 109.5° |
| C12 | C17 | H11 | 108.3° | 109.4° |
| C17 | C12 | H16 | 107.7° | 109.5° |
| C8 | C6 | S1 | 121.3° | 126.0° |
| C8 | C6 | C7 | 129.1° | 126.0° |
| C6 | C8 | H4 | 116.0° | 115.5° |
| C12 | C11 | N5 | 110.7° | 109.5° |
| C11 | C12 | C13 | 110.7° | 109.5° |
| C12 | C11 | H14 | 109.2° | 109.5° |
| C12 | C11 | H15 | 109.2° | 109.5° |
| C11 | C12 | H16 | 107.8° | 109.5° |
| C11 | N5 | C1 | 123.4° | 120.0° |
| N5 | C11 | H14 | 109.2° | 109.4° |
| N5 | C11 | H15 | 109.2° | 109.5° |
| C11 | N5 | H25 | 105.9° | 120.0° |
| C14 | C13 | C12 | 112.0° | 109.4° |
| C14 | C13 | H7 | 108.8° | 109.5° |
| C14 | C13 | H8 | 108.9° | 109.5° |
| C13 | C14 | H17 | 109.5° | 109.5° |
| C13 | C14 | H18 | 109.5° | 109.5° |
| C12 | C13 | H7 | 108.8° | 109.4° |
| C12 | C13 | H8 | 108.8° | 109.4° |
| C13 | C12 | H16 | 107.8° | 109.5° |
| S1 | C6 | C7 | 109.6° | 108.1° |
| C6 | S1 | C5 | 92.7° | 90.4° |
| C6 | C7 | N4 | 114.9° | 114.6° |
| C6 | C7 | H3 | 122.6° | 122.7° |
| N5 | C1 | N1 | 117.8° | 119.2° |
| N5 | C1 | N2 | 117.4° | 119.2° |
| C1 | N5 | H25 | 105.9° | 120.0° |
| S1 | C5 | N4 | 112.3° | 110.1° |
| S1 | C5 | N3 | 125.6° | 124.9° |
| C7 | N4 | C5 | 110.6° | 116.8° |
| N4 | C7 | H3 | 122.5° | 122.7° |
| N1 | C1 | N2 | 124.8° | 121.6° |
| C1 | N1 | C2 | 117.4° | 120.6° |
| C1 | N2 | C4 | 116.4° | 120.9° |
| N1 | C2 | N3 | 119.0° | 120.4° |
| N1 | C2 | C3 | 121.3° | 119.1° |
| N4 | C5 | N3 | 122.1° | 124.9° |
| C5 | N3 | C2 | 131.7° | 120.0° |
| C5 | N3 | H1 | 114.2° | 120.0° |
| N2 | C4 | C3 | 122.7° | 119.3° |
| N2 | C4 | H2 | 118.7° | 120.4° |
| N3 | C2 | C3 | 119.7° | 120.5° |
| C2 | N3 | H1 | 114.1° | 120.0° |
| C2 | C3 | C4 | 117.4° | 118.5° |
| C2 | C3 | H22 | 121.3° | 120.7° |
| C3 | C4 | H2 | 118.7° | 120.3° |
| C4 | C3 | H22 | 121.3° | 120.8° |
| H5 | C10 | H6 | 109.5° | 115.5° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.4° | 109.5° |
| H14 | C11 | H15 | 109.5° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.4° |
| H23 | C9 | H24 | 109.5° | 115.6° |
| H26 | N6 | H27 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C20 | C21 | C19 | 179.9° | 179.7° |
| CL1 | C20 | C21 | C22 | 179.8° | 179.7° |
| CL1 | C20 | C19 | C18 | 180.0° | 179.7° |
| CL1 | C20 | C21 | H12 | 0.2° | 0.3° |
| CL1 | C20 | C19 | H20 | 0.0° | 0.3° |
| C20 | C21 | C22 | H12 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | H13 | 179.9° | 180.0° |
| C21 | C20 | C19 | H20 | 179.9° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C18 | H20 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.5° | 0.0° |
| C20 | C19 | C18 | C16 | 179.7° | 180.0° |
| C19 | C20 | C21 | H12 | 179.9° | 180.0° |
| C21 | C22 | C23 | H13 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.5° | 0.0° |
| C21 | C22 | C23 | H21 | 179.4° | 179.9° |
| C19 | C18 | C23 | C22 | 0.7° | 0.0° |
| C19 | C18 | C23 | C16 | 179.2° | 180.0° |
| C19 | C18 | C16 | C15 | 90.8° | 60.0° |
| C19 | C18 | C16 | C17 | 144.1° | 60.0° |
| C19 | C18 | C16 | H19 | 26.6° | 180.0° |
| C19 | C18 | C23 | H21 | 179.2° | 180.0° |
| C22 | C23 | C18 | H21 | 180.0° | 179.9° |
| C22 | C23 | C18 | C16 | 179.9° | 180.0° |
| C23 | C22 | C21 | H12 | 179.9° | 180.0° |
| C23 | C18 | C16 | C15 | 88.3° | 120.0° |
| C23 | C18 | C16 | C17 | 36.7° | 120.0° |
| C18 | C23 | C22 | H13 | 179.4° | 180.0° |
| C23 | C18 | C16 | H19 | 154.3° | 0.0° |
| C23 | C18 | C19 | H20 | 179.5° | 180.0° |
| C18 | C16 | C15 | N6 | 53.7° | 60.0° |
| C18 | C16 | C15 | C17 | 126.8° | 120.0° |
| C18 | C16 | C15 | H19 | 117.5° | 120.0° |
| C18 | C16 | C17 | H19 | 117.7° | 120.0° |
| C18 | C16 | C15 | C14 | 176.4° | 180.0° |
| C18 | C16 | C17 | C12 | 179.0° | 180.0° |
| C18 | C16 | C15 | H9 | 65.4° | 60.0° |
| C18 | C16 | C17 | H10 | 60.3° | 60.0° |
| C18 | C16 | C17 | H11 | 58.3° | 60.0° |
| C16 | C18 | C19 | H20 | 0.3° | 0.0° |
| C16 | C18 | C23 | H21 | 0.1° | 0.0° |
| N6 | C15 | C16 | C14 | 122.8° | 120.0° |
| N6 | C15 | C16 | H9 | 119.0° | 120.0° |
| N6 | C15 | C16 | C17 | 179.6° | 180.0° |
| N6 | C15 | C14 | H9 | 118.9° | 120.0° |
| N6 | C15 | C14 | C13 | 176.4° | 179.9° |
| N6 | C15 | C14 | H17 | 56.4° | 60.0° |
| N6 | C15 | C14 | H18 | 63.6° | 59.9° |
| N6 | C15 | C16 | H19 | 63.8° | 60.0° |
| C15 | N6 | H26 | H27 | 120.0° | 123.9° |
| C10 | C9 | C8 | H23 | 109.6° | 107.5° |
| C10 | C9 | C8 | H24 | 109.6° | 107.4° |
| C9 | C10 | C8 | H5 | 109.6° | 107.5° |
| C9 | C10 | C8 | H6 | 109.6° | 107.5° |
| C10 | C9 | C8 | C6 | 109.7° | 107.5° |
| C10 | C9 | C8 | H4 | 105.7° | 107.5° |
| C9 | C10 | H5 | H6 | 144.5° | 145.8° |
| C10 | C9 | H23 | H24 | 144.5° | 145.7° |
| C9 | C8 | C6 | H4 | 144.4° | 145.7° |
| C9 | C8 | C6 | S1 | 25.3° | 8.7° |
| C9 | C8 | C6 | C7 | 152.9° | 171.5° |
| C8 | C9 | H23 | H24 | 144.5° | 145.7° |
| C15 | C16 | C17 | H19 | 115.7° | 120.0° |
| C16 | C15 | C14 | H9 | 118.2° | 120.0° |
| C15 | C16 | C17 | C12 | 52.4° | 60.0° |
| C16 | C15 | C14 | C13 | 60.7° | 60.0° |
| C15 | C16 | C17 | H10 | 173.1° | 60.0° |
| C15 | C16 | C17 | H11 | 68.3° | 180.0° |
| C16 | C15 | C14 | H17 | 179.3° | 60.1° |
| C16 | C15 | C14 | H18 | 59.3° | 180.0° |
| C16 | C15 | N6 | H26 | 180.0° | 180.0° |
| C16 | C15 | N6 | H27 | 60.0° | 56.0° |
| C17 | C16 | C15 | C14 | 56.8° | 60.0° |
| C16 | C17 | C12 | H10 | 120.7° | 120.0° |
| C16 | C17 | C12 | H11 | 120.7° | 119.9° |
| C16 | C17 | C12 | C11 | 73.3° | 60.0° |
| C16 | C17 | C12 | C13 | 50.7° | 60.0° |
| C17 | C16 | C15 | H9 | 61.4° | 60.0° |
| C16 | C17 | H10 | H11 | 117.9° | 120.0° |
| C16 | C17 | C12 | H16 | 168.4° | 180.0° |
| C15 | C14 | C13 | H17 | 120.0° | 120.0° |
| C15 | C14 | C13 | H18 | 120.0° | 120.0° |
| C15 | C14 | C13 | C12 | 59.4° | 60.0° |
| C15 | C14 | C13 | H7 | 61.0° | 180.0° |
| C15 | C14 | C13 | H8 | 179.8° | 59.9° |
| C15 | C14 | H17 | H18 | 120.0° | 119.9° |
| C14 | C15 | C16 | H19 | 58.9° | 60.0° |
| C14 | C15 | N6 | H26 | 57.3° | 60.0° |
| C14 | C15 | N6 | H27 | 177.3° | 176.0° |
| C10 | C8 | C6 | H4 | 146.6° | 145.7° |
| C10 | C8 | C6 | S1 | 43.6° | 60.0° |
| C10 | C8 | C6 | C7 | 138.1° | 119.8° |
| C8 | C10 | H5 | H6 | 144.4° | 145.6° |
| C17 | C12 | C11 | C13 | 124.1° | 120.0° |
| C17 | C12 | C11 | H16 | 118.2° | 120.0° |
| C17 | C12 | C11 | N5 | 176.0° | 175.0° |
| C17 | C12 | C13 | C14 | 53.8° | 60.0° |
| C17 | C12 | C13 | H16 | 117.6° | 120.0° |
| C17 | C12 | C13 | H7 | 66.6° | 180.0° |
| C17 | C12 | C13 | H8 | 174.2° | 60.0° |
| C12 | C17 | H10 | H11 | 117.9° | 120.0° |
| C17 | C12 | C11 | H14 | 63.8° | 65.0° |
| C17 | C12 | C11 | H15 | 55.9° | 55.0° |
| C12 | C17 | C16 | H19 | 63.3° | 60.0° |
| C8 | C6 | S1 | C7 | 178.6° | 179.8° |
| C8 | C6 | S1 | C5 | 178.5° | 179.9° |
| C8 | C6 | C7 | N4 | 178.2° | 179.7° |
| C8 | C6 | C7 | H3 | 1.8° | 0.2° |
| C6 | C8 | C10 | H5 | 142.8° | 0.0° |
| C6 | C8 | C10 | H6 | 2.1° | 144.9° |
| C6 | C8 | C9 | H23 | 0.1° | 145.0° |
| C6 | C8 | C9 | H24 | 140.8° | 0.0° |
| C12 | C11 | N5 | H14 | 120.2° | 120.0° |
| C12 | C11 | N5 | H15 | 120.2° | 120.0° |
| C11 | C12 | C13 | C14 | 71.0° | 60.0° |
| C11 | C12 | C13 | H16 | 117.7° | 120.0° |
| C12 | C11 | N5 | C1 | 72.1° | 180.0° |
| C11 | C12 | C13 | H7 | 168.6° | 60.0° |
| C11 | C12 | C13 | H8 | 49.4° | 180.0° |
| C11 | C12 | C17 | H10 | 47.4° | 180.0° |
| C11 | C12 | C17 | H11 | 166.0° | 60.0° |
| C12 | C11 | H14 | H15 | 119.4° | 120.0° |
| C12 | C11 | N5 | H25 | 49.8° | 0.1° |
| N5 | C11 | C12 | C13 | 59.9° | 65.0° |
| C11 | N5 | C1 | H25 | 121.9° | 179.9° |
| C11 | N5 | C1 | N1 | 1.3° | 180.0° |
| C11 | N5 | C1 | N2 | 178.0° | 0.1° |
| N5 | C11 | H14 | H15 | 119.5° | 120.0° |
| N5 | C11 | C12 | H16 | 57.8° | 55.0° |
| C14 | C13 | C12 | H7 | 120.4° | 120.0° |
| C14 | C13 | C12 | H8 | 120.4° | 120.0° |
| C14 | C13 | H7 | H8 | 118.9° | 120.1° |
| C13 | C14 | C15 | H9 | 57.4° | 60.0° |
| C14 | C13 | C12 | H16 | 171.3° | 180.0° |
| C13 | C14 | H17 | H18 | 120.0° | 120.0° |
| C12 | C13 | H7 | H8 | 118.8° | 120.0° |
| C13 | C12 | C17 | H10 | 171.4° | 60.0° |
| C13 | C12 | C17 | H11 | 70.0° | 180.0° |
| C13 | C12 | C11 | H14 | 60.3° | 55.0° |
| C13 | C12 | C11 | H15 | 179.9° | 175.0° |
| C12 | C13 | C14 | H17 | 179.4° | 60.0° |
| C12 | C13 | C14 | H18 | 60.6° | 180.0° |
| S1 | C6 | C7 | N4 | 0.2° | 0.4° |
| C6 | S1 | C5 | N4 | 0.2° | 0.0° |
| C6 | S1 | C5 | N3 | 179.1° | 179.8° |
| S1 | C6 | C7 | H3 | 179.8° | 179.9° |
| S1 | C6 | C8 | H4 | 169.8° | 154.4° |
| C7 | C6 | S1 | C5 | 0.0° | 0.2° |
| C6 | C7 | N4 | H3 | 180.0° | 179.5° |
| C6 | C7 | N4 | C5 | 0.4° | 0.5° |
| C7 | C6 | C8 | H4 | 8.5° | 25.8° |
| N5 | C1 | N1 | N2 | 179.2° | 180.0° |
| N5 | C1 | N1 | C2 | 179.6° | 180.0° |
| N5 | C1 | N2 | C4 | 179.1° | 180.0° |
| C1 | N5 | C11 | H14 | 167.7° | 60.0° |
| C1 | N5 | C11 | H15 | 48.1° | 60.0° |
| S1 | C5 | N4 | C7 | 0.3° | 0.2° |
| S1 | C5 | N4 | N3 | 179.3° | 179.8° |
| S1 | C5 | N3 | C2 | 5.5° | 174.5° |
| S1 | C5 | N3 | H1 | 174.4° | 5.5° |
| C7 | N4 | C5 | N3 | 179.0° | 180.0° |
| N1 | C1 | N2 | C4 | 0.1° | 0.1° |
| C1 | N1 | C2 | N3 | 179.4° | 180.0° |
| C1 | N1 | C2 | C3 | 0.4° | 0.0° |
| N1 | C1 | N5 | H25 | 120.6° | 0.1° |
| N2 | C1 | N1 | C2 | 0.4° | 0.0° |
| C1 | N2 | C4 | C3 | 1.5° | 0.1° |
| C1 | N2 | C4 | H2 | 178.5° | 180.0° |
| N2 | C1 | N5 | H25 | 60.2° | 180.0° |
| N1 | C2 | N3 | C5 | 8.6° | 5.2° |
| N1 | C2 | N3 | C3 | 179.0° | 180.0° |
| N1 | C2 | C3 | C4 | 1.7° | 0.0° |
| N1 | C2 | N3 | H1 | 171.4° | 174.8° |
| N1 | C2 | C3 | H22 | 178.3° | 180.0° |
| N4 | C5 | N3 | C2 | 175.3° | 5.2° |
| N4 | C5 | N3 | H1 | 4.8° | 174.8° |
| C5 | N4 | C7 | H3 | 179.7° | 179.9° |
| C5 | N3 | C2 | H1 | 180.0° | 180.0° |
| C5 | N3 | C2 | C3 | 172.4° | 174.8° |
| N2 | C4 | C3 | C2 | 2.3° | 0.0° |
| N2 | C4 | C3 | H2 | 180.0° | 180.0° |
| N2 | C4 | C3 | H22 | 177.7° | 180.0° |
| N3 | C2 | C3 | C4 | 179.3° | 180.0° |
| N3 | C2 | C3 | H22 | 0.7° | 0.0° |
| C2 | C3 | C4 | H22 | 180.0° | 180.0° |
| C3 | C2 | N3 | H1 | 7.6° | 5.3° |
| C2 | C3 | C4 | H2 | 177.7° | 180.0° |
| H2 | C4 | C3 | H22 | 2.3° | 0.0° |
| H4 | C8 | C10 | H5 | 4.0° | 145.0° |
| H4 | C8 | C10 | H6 | 144.7° | 0.0° |
| H4 | C8 | C9 | H23 | 144.7° | 0.0° |
| H4 | C8 | C9 | H24 | 3.8° | 145.0° |
| H5 | C10 | C9 | H23 | 140.8° | 145.1° |
| H5 | C10 | C9 | H24 | 0.0° | 0.0° |
| H6 | C10 | C9 | H23 | 0.0° | 0.0° |
| H6 | C10 | C9 | H24 | 140.9° | 145.1° |
| H7 | C13 | C12 | H16 | 50.9° | 60.0° |
| H7 | C13 | C14 | H17 | 59.0° | 59.9° |
| H7 | C13 | C14 | H18 | 179.0° | 60.0° |
| H8 | C13 | C12 | H16 | 68.3° | 60.0° |
| H8 | C13 | C14 | H17 | 60.2° | 180.0° |
| H8 | C13 | C14 | H18 | 59.8° | 60.1° |
| H9 | C15 | C14 | H17 | 62.6° | 179.9° |
| H9 | C15 | C14 | H18 | 177.4° | 60.0° |
| H9 | C15 | C16 | H19 | 177.1° | 180.0° |
| H9 | C15 | N6 | H26 | 61.4° | 60.0° |
| H9 | C15 | N6 | H27 | 58.7° | 64.0° |
| H10 | C17 | C12 | H16 | 70.9° | 60.0° |
| H10 | C17 | C16 | H19 | 57.4° | 180.0° |
| H11 | C17 | C12 | H16 | 47.7° | 60.0° |
| H11 | C17 | C16 | H19 | 176.0° | 60.0° |
| H12 | C21 | C22 | H13 | 0.1° | 0.1° |
| H13 | C22 | C23 | H21 | 0.6° | 0.0° |
| H14 | C11 | C12 | H16 | 178.0° | 175.0° |
| H14 | C11 | N5 | H25 | 70.4° | 120.0° |
| H15 | C11 | C12 | H16 | 62.4° | 65.0° |
| H15 | C11 | N5 | H25 | 170.0° | 120.0° |
