K3N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.54Å | 1.51Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C20 | C19 | sing | 1.54Å | 1.51Å | |
| C22 | C16 | sing | 1.54Å | 1.52Å | |
| O3 | C23 | doub | 1.21Å | 1.22Å | |
| C19 | C18 | sing | 1.50Å | 1.51Å | |
| C16 | N3 | sing | 1.46Å | 1.48Å | |
| C16 | C17 | sing | 1.46Å | 1.52Å | |
| C18 | C17 | sing | 1.54Å | 1.53Å | |
| C23 | N3 | sing | 1.36Å | 1.36Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| N3 | N2 | sing | 1.40Å | 1.36Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C24 | C29 | sing | 1.53Å | 1.54Å | |
| N2 | C15 | doub | 1.30Å | 1.29Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | N1 | sing | 1.46Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.32Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| C15 | C29 | sing | 1.51Å | 1.51Å | |
| C15 | C13 | sing | 1.47Å | 1.49Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.53Å | 1.49Å | |
| C14 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.43Å | 1.42Å | |
| C5 | O1 | doub | 1.22Å | 1.23Å | |
| C6 | C7 | trip | 1.17Å | 1.19Å | |
| C7 | C8 | sing | 1.43Å | 1.43Å | |
| C8 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | O2 | sing | 1.36Å | 1.37Å | |
| O2 | C10 | sing | 1.43Å | 1.42Å | |
| C29 | H1 | sing | 1.09Å | 1.10Å | |
| C28 | H2 | sing | 1.09Å | 1.10Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C27 | H4 | sing | 1.09Å | 1.10Å | |
| C27 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C25 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C4 | H20 | sing | 1.09Å | 1.10Å | |
| C4 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.08Å | 1.08Å | |
| C14 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C21 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C24 | H38 | sing | 1.09Å | 1.10Å | |
| N1 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 114.2° | 112.5° |
| C21 | C20 | C19 | 114.2° | 112.8° |
| C21 | C20 | H32 | 108.3° | 108.8° |
| C21 | C20 | H33 | 108.3° | 108.8° |
| C20 | C21 | H34 | 108.3° | 108.9° |
| C20 | C21 | H35 | 108.3° | 108.9° |
| C21 | C22 | C16 | 114.5° | 108.5° |
| C22 | C21 | H34 | 108.3° | 108.8° |
| C22 | C21 | H35 | 108.3° | 108.9° |
| C21 | C22 | H36 | 108.2° | 109.6° |
| C21 | C22 | H37 | 108.2° | 109.6° |
| C20 | C19 | C18 | 114.2° | 112.5° |
| C20 | C19 | H30 | 108.3° | 108.9° |
| C20 | C19 | H31 | 108.3° | 108.8° |
| C19 | C20 | H32 | 108.3° | 108.8° |
| C19 | C20 | H33 | 108.3° | 108.8° |
| C22 | C16 | N3 | 111.8° | 108.9° |
| C22 | C16 | C17 | 113.6° | 112.4° |
| C22 | C16 | H23 | 106.2° | 108.8° |
| C16 | C22 | H36 | 108.2° | 109.6° |
| C16 | C22 | H37 | 108.2° | 109.6° |
| O3 | C23 | N3 | 120.9° | 120.6° |
| O3 | C23 | C24 | 122.1° | 119.6° |
| C19 | C18 | C17 | 114.1° | 108.5° |
| C19 | C18 | H28 | 108.3° | 109.6° |
| C19 | C18 | H29 | 108.3° | 109.7° |
| C18 | C19 | H30 | 108.3° | 108.9° |
| C18 | C19 | H31 | 108.3° | 108.9° |
| N3 | C16 | C17 | 111.8° | 108.9° |
| C16 | N3 | C23 | 119.7° | 120.0° |
| C16 | N3 | N2 | 115.8° | 120.6° |
| N3 | C16 | H23 | 106.7° | 108.9° |
| C16 | C17 | C18 | 114.5° | 112.4° |
| C17 | C16 | H23 | 106.2° | 108.9° |
| C16 | C17 | H26 | 108.2° | 108.9° |
| C16 | C17 | H27 | 108.2° | 108.8° |
| C18 | C17 | H26 | 108.2° | 108.9° |
| C18 | C17 | H27 | 108.2° | 108.8° |
| C17 | C18 | H28 | 108.3° | 109.7° |
| C17 | C18 | H29 | 108.3° | 109.6° |
| N3 | C23 | C24 | 117.0° | 119.9° |
| C23 | N3 | N2 | 124.6° | 119.3° |
| C23 | C24 | C25 | 112.1° | 110.9° |
| C23 | C24 | C29 | 109.0° | 108.0° |
| C23 | C24 | H38 | 107.7° | 108.8° |
| N3 | N2 | C15 | 116.2° | 121.1° |
| C1 | C2 | C3 | 112.9° | 109.4° |
| C2 | C1 | H10 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C1 | C2 | H13 | 108.6° | 109.5° |
| C1 | C2 | H14 | 108.6° | 109.4° |
| C24 | C25 | C26 | 112.1° | 110.4° |
| C25 | C24 | C29 | 113.2° | 111.9° |
| C24 | C25 | H8 | 108.8° | 109.4° |
| C24 | C25 | H9 | 108.8° | 109.4° |
| C25 | C24 | H38 | 107.3° | 108.8° |
| C25 | C26 | C27 | 123.4° | 109.0° |
| C25 | C26 | H6 | 105.9° | 109.5° |
| C25 | C26 | H7 | 105.9° | 109.6° |
| C26 | C25 | H8 | 108.8° | 108.7° |
| C26 | C25 | H9 | 108.8° | 109.8° |
| C24 | C29 | C15 | 108.8° | 108.8° |
| C24 | C29 | C28 | 112.4° | 109.8° |
| C24 | C29 | H1 | 108.5° | 110.1° |
| C29 | C24 | H38 | 107.2° | 108.3° |
| N2 | C15 | C29 | 124.1° | 119.9° |
| N2 | C15 | C13 | 117.0° | 120.1° |
| C4 | C3 | C2 | 112.9° | 109.5° |
| C3 | C4 | N1 | 112.6° | 109.5° |
| C4 | C3 | H18 | 108.6° | 109.4° |
| C4 | C3 | H19 | 108.6° | 109.4° |
| C3 | C4 | H20 | 108.7° | 109.5° |
| C3 | C4 | H21 | 108.7° | 109.4° |
| C3 | C2 | H13 | 108.6° | 109.5° |
| C3 | C2 | H14 | 108.6° | 109.5° |
| C2 | C3 | H18 | 108.6° | 109.5° |
| C2 | C3 | H19 | 108.6° | 109.5° |
| C4 | N1 | C5 | 122.2° | 120.0° |
| N1 | C4 | H20 | 108.7° | 109.5° |
| N1 | C4 | H21 | 108.7° | 109.4° |
| C4 | N1 | H39 | 118.9° | 120.0° |
| C26 | C27 | C28 | 123.4° | 109.1° |
| C26 | C27 | H4 | 105.9° | 109.5° |
| C26 | C27 | H5 | 105.9° | 109.5° |
| C27 | C26 | H6 | 105.9° | 109.6° |
| C27 | C26 | H7 | 105.9° | 109.6° |
| N1 | C5 | C6 | 116.4° | 120.0° |
| N1 | C5 | O1 | 124.2° | 120.0° |
| C5 | N1 | H39 | 118.9° | 120.0° |
| C29 | C15 | C13 | 118.9° | 120.0° |
| C15 | C29 | C28 | 109.5° | 108.2° |
| C15 | C29 | H1 | 108.9° | 110.0° |
| C15 | C13 | C14 | 120.4° | 120.0° |
| C15 | C13 | C12 | 120.1° | 120.0° |
| C29 | C28 | C27 | 113.5° | 109.9° |
| C28 | C29 | H1 | 108.8° | 110.0° |
| C29 | C28 | H2 | 108.5° | 109.4° |
| C29 | C28 | H3 | 108.5° | 109.4° |
| C27 | C28 | H2 | 108.4° | 109.4° |
| C27 | C28 | H3 | 108.5° | 109.3° |
| C28 | C27 | H4 | 105.9° | 109.6° |
| C28 | C27 | H5 | 105.9° | 109.5° |
| C13 | C14 | C8 | 120.3° | 119.7° |
| C14 | C13 | C12 | 119.5° | 120.0° |
| C13 | C14 | H25 | 119.9° | 120.1° |
| C14 | C8 | C7 | 120.5° | 120.1° |
| C14 | C8 | C9 | 119.5° | 119.8° |
| C8 | C14 | H25 | 119.8° | 120.2° |
| C13 | C12 | C11 | 120.9° | 120.3° |
| C13 | C12 | H24 | 119.6° | 119.8° |
| C6 | C5 | O1 | 119.4° | 120.0° |
| C5 | C6 | C7 | 176.3° | 180.0° |
| C6 | C7 | C8 | 176.9° | 180.0° |
| C7 | C8 | C9 | 120.0° | 120.1° |
| C8 | C9 | C11 | 119.7° | 120.0° |
| C8 | C9 | O2 | 116.1° | 120.0° |
| C12 | C11 | C9 | 120.1° | 120.3° |
| C12 | C11 | H22 | 120.0° | 119.9° |
| C11 | C12 | H24 | 119.6° | 119.9° |
| C11 | C9 | O2 | 124.2° | 120.0° |
| C9 | C11 | H22 | 119.9° | 119.8° |
| C9 | O2 | C10 | 118.0° | 117.0° |
| O2 | C10 | H15 | 109.5° | 109.5° |
| O2 | C10 | H16 | 109.5° | 109.5° |
| O2 | C10 | H17 | 109.5° | 109.5° |
| H2 | C28 | H3 | 109.4° | 109.4° |
| H4 | C27 | H5 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H8 | C25 | H9 | 109.4° | 109.2° |
| H10 | C1 | H11 | 109.5° | 109.5° |
| H10 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.5° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H20 | C4 | H21 | 109.5° | 109.5° |
| H26 | C17 | H27 | 109.5° | 108.9° |
| H28 | C18 | H29 | 109.5° | 109.6° |
| H30 | C19 | H31 | 109.5° | 108.9° |
| H32 | C20 | H33 | 109.5° | 108.8° |
| H34 | C21 | H35 | 109.5° | 108.7° |
| H36 | C22 | H37 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H34 | 120.7° | 120.8° |
| C20 | C21 | C22 | H35 | 120.7° | 120.8° |
| C21 | C20 | C19 | H32 | 120.7° | 120.8° |
| C21 | C20 | C19 | H33 | 120.7° | 120.8° |
| C20 | C21 | C22 | C16 | 87.0° | 94.1° |
| C21 | C20 | C19 | C18 | 3.5° | 41.7° |
| C21 | C20 | C19 | H30 | 124.2° | 162.4° |
| C21 | C20 | C19 | H31 | 117.3° | 79.0° |
| C21 | C20 | H32 | H33 | 117.8° | 118.3° |
| C20 | C21 | H34 | H35 | 117.8° | 118.6° |
| C20 | C21 | C22 | H36 | 152.2° | 25.6° |
| C20 | C21 | C22 | H37 | 33.7° | 146.1° |
| C22 | C21 | C20 | C19 | 76.0° | 41.7° |
| C21 | C22 | C16 | H36 | 120.7° | 119.7° |
| C21 | C22 | C16 | H37 | 120.7° | 119.7° |
| C21 | C22 | C16 | N3 | 177.8° | 159.3° |
| C21 | C22 | C16 | C17 | 54.5° | 80.0° |
| C21 | C22 | C16 | H23 | 61.9° | 40.8° |
| C22 | C21 | C20 | H32 | 44.7° | 162.5° |
| C22 | C21 | C20 | H33 | 163.3° | 79.1° |
| C22 | C21 | H34 | H35 | 117.9° | 118.4° |
| C21 | C22 | H36 | H37 | 117.7° | 120.5° |
| C20 | C19 | C18 | H30 | 120.7° | 120.7° |
| C20 | C19 | C18 | H31 | 120.7° | 120.7° |
| C20 | C19 | C18 | C17 | 71.4° | 94.2° |
| C20 | C19 | C18 | H28 | 167.9° | 25.6° |
| C20 | C19 | C18 | H29 | 49.3° | 146.0° |
| C20 | C19 | H30 | H31 | 117.8° | 118.5° |
| C19 | C20 | H32 | H33 | 117.8° | 118.4° |
| C19 | C20 | C21 | H34 | 44.7° | 79.0° |
| C19 | C20 | C21 | H35 | 163.3° | 162.5° |
| C22 | C16 | N3 | C17 | 128.7° | 122.9° |
| C22 | C16 | N3 | H23 | 115.7° | 118.5° |
| C22 | C16 | C17 | H23 | 116.3° | 120.7° |
| C22 | C16 | C17 | C18 | 56.5° | 61.9° |
| C22 | C16 | N3 | C23 | 113.9° | 117.1° |
| C22 | C16 | N3 | N2 | 66.1° | 62.9° |
| C22 | C16 | C17 | H26 | 177.3° | 177.3° |
| C22 | C16 | C17 | H27 | 64.2° | 58.7° |
| C16 | C22 | C21 | H34 | 33.6° | 26.7° |
| C16 | C22 | C21 | H35 | 152.3° | 145.0° |
| C16 | C22 | H36 | H37 | 117.7° | 120.5° |
| O3 | C23 | N3 | C16 | 3.2° | 3.6° |
| O3 | C23 | N3 | C24 | 180.0° | 180.0° |
| O3 | C23 | N3 | N2 | 176.8° | 176.5° |
| O3 | C23 | C24 | C25 | 19.6° | 23.1° |
| O3 | C23 | C24 | C29 | 145.8° | 146.1° |
| O3 | C23 | C24 | H38 | 98.3° | 96.5° |
| C19 | C18 | C17 | C16 | 89.3° | 80.0° |
| C19 | C18 | C17 | H28 | 120.7° | 119.7° |
| C19 | C18 | C17 | H29 | 120.7° | 119.8° |
| C19 | C18 | C17 | H26 | 150.0° | 159.2° |
| C19 | C18 | C17 | H27 | 31.5° | 40.6° |
| C19 | C18 | H28 | H29 | 117.8° | 120.5° |
| C18 | C19 | H30 | H31 | 117.8° | 118.6° |
| C18 | C19 | C20 | H32 | 117.3° | 79.1° |
| C18 | C19 | C20 | H33 | 124.2° | 162.5° |
| N3 | C16 | C17 | H23 | 116.0° | 118.6° |
| N3 | C16 | C17 | C18 | 175.8° | 177.3° |
| C16 | N3 | C23 | N2 | 180.0° | 179.9° |
| C16 | N3 | C23 | C24 | 176.8° | 176.4° |
| C16 | N3 | N2 | C15 | 153.1° | 156.6° |
| N3 | C16 | C17 | H26 | 55.1° | 56.6° |
| N3 | C16 | C17 | H27 | 63.5° | 62.1° |
| N3 | C16 | C22 | H36 | 57.1° | 81.0° |
| N3 | C16 | C22 | H37 | 61.5° | 39.5° |
| C16 | C17 | C18 | H26 | 120.7° | 120.8° |
| C16 | C17 | C18 | H27 | 120.8° | 120.6° |
| C17 | C16 | N3 | C23 | 117.5° | 120.0° |
| C17 | C16 | N3 | N2 | 62.5° | 60.0° |
| C16 | C17 | H26 | H27 | 117.7° | 118.6° |
| C16 | C17 | C18 | H28 | 150.0° | 39.7° |
| C16 | C17 | C18 | H29 | 31.4° | 160.2° |
| C17 | C16 | C22 | H36 | 175.2° | 39.7° |
| C17 | C16 | C22 | H37 | 66.2° | 160.3° |
| C18 | C17 | C16 | H23 | 59.8° | 58.7° |
| C18 | C17 | H26 | H27 | 117.7° | 118.5° |
| C17 | C18 | H28 | H29 | 117.9° | 120.4° |
| C17 | C18 | C19 | H30 | 49.4° | 145.1° |
| C17 | C18 | C19 | H31 | 167.9° | 26.5° |
| N3 | C23 | C24 | C25 | 160.4° | 157.0° |
| N3 | C23 | C24 | C29 | 34.2° | 33.9° |
| C23 | N3 | N2 | C15 | 26.9° | 23.3° |
| C23 | N3 | C16 | H23 | 1.8° | 1.4° |
| N3 | C23 | C24 | H38 | 81.7° | 83.5° |
| C24 | C23 | N3 | N2 | 3.2° | 3.5° |
| C23 | C24 | C25 | C29 | 123.8° | 120.7° |
| C23 | C24 | C25 | H38 | 118.1° | 119.6° |
| C23 | C24 | C25 | C26 | 81.9° | 64.0° |
| C23 | C24 | C29 | H38 | 116.3° | 117.7° |
| C23 | C24 | C29 | C15 | 46.6° | 51.3° |
| C23 | C24 | C29 | C28 | 74.8° | 66.8° |
| C23 | C24 | C29 | H1 | 164.9° | 171.9° |
| C23 | C24 | C25 | H8 | 38.5° | 176.5° |
| C23 | C24 | C25 | H9 | 157.7° | 56.9° |
| N3 | N2 | C15 | C29 | 8.5° | 0.5° |
| N3 | N2 | C15 | C13 | 171.2° | 179.5° |
| N2 | N3 | C16 | H23 | 178.2° | 178.5° |
| C1 | C2 | C3 | C4 | 137.2° | 180.0° |
| C1 | C2 | C3 | H13 | 120.5° | 120.0° |
| C1 | C2 | C3 | H14 | 120.5° | 119.9° |
| C2 | C1 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | H10 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C1 | C2 | H13 | H14 | 118.4° | 120.0° |
| C1 | C2 | C3 | H18 | 102.3° | 60.0° |
| C1 | C2 | C3 | H19 | 16.7° | 60.0° |
| C24 | C25 | C26 | H8 | 120.4° | 119.9° |
| C24 | C25 | C26 | H9 | 120.4° | 120.7° |
| C25 | C24 | C29 | H38 | 118.2° | 119.9° |
| C24 | C25 | C26 | C27 | 25.8° | 59.1° |
| C25 | C24 | C29 | C15 | 172.1° | 173.7° |
| C25 | C24 | C29 | C28 | 50.7° | 55.6° |
| C25 | C24 | C29 | H1 | 69.6° | 65.7° |
| C24 | C25 | C26 | H6 | 96.2° | 179.0° |
| C24 | C25 | C26 | H7 | 147.7° | 60.8° |
| C24 | C25 | H8 | H9 | 118.8° | 119.7° |
| C26 | C25 | C24 | C29 | 41.9° | 56.8° |
| C25 | C26 | C27 | H6 | 121.9° | 119.8° |
| C25 | C26 | C27 | H7 | 121.9° | 119.9° |
| C25 | C26 | C27 | C28 | 17.2° | 61.3° |
| C25 | C26 | C27 | H4 | 139.1° | 58.6° |
| C25 | C26 | C27 | H5 | 104.7° | 178.8° |
| C25 | C26 | H6 | H7 | 113.7° | 120.3° |
| C26 | C25 | H8 | H9 | 118.8° | 119.7° |
| C26 | C25 | C24 | H38 | 160.0° | 176.4° |
| C24 | C29 | C15 | N2 | 28.3° | 37.7° |
| C24 | C29 | C15 | C28 | 123.1° | 119.2° |
| C24 | C29 | C15 | H1 | 118.0° | 120.6° |
| C24 | C29 | C15 | C13 | 152.0° | 142.3° |
| C24 | C29 | C28 | H1 | 120.1° | 121.3° |
| C24 | C29 | C28 | C27 | 40.1° | 57.3° |
| C24 | C29 | C28 | H2 | 160.7° | 177.5° |
| C24 | C29 | C28 | H3 | 80.6° | 62.7° |
| C29 | C24 | C25 | H8 | 162.3° | 62.7° |
| C29 | C24 | C25 | H9 | 78.5° | 177.7° |
| N2 | C15 | C29 | C13 | 179.7° | 180.0° |
| N2 | C15 | C29 | C28 | 94.9° | 81.5° |
| N2 | C15 | C13 | C14 | 16.3° | 0.3° |
| N2 | C15 | C13 | C12 | 163.6° | 180.0° |
| N2 | C15 | C29 | H1 | 146.3° | 158.3° |
| C4 | C3 | C2 | H18 | 120.5° | 120.0° |
| C4 | C3 | C2 | H19 | 120.5° | 120.0° |
| C3 | C4 | N1 | H20 | 120.4° | 120.1° |
| C3 | C4 | N1 | H21 | 120.5° | 120.0° |
| C3 | C4 | N1 | C5 | 108.9° | 180.0° |
| C4 | C3 | C2 | H13 | 102.3° | 60.0° |
| C4 | C3 | C2 | H14 | 16.7° | 60.1° |
| C4 | C3 | H18 | H19 | 118.4° | 119.9° |
| C3 | C4 | H20 | H21 | 118.6° | 120.0° |
| C3 | C4 | N1 | H39 | 71.1° | 0.1° |
| C2 | C3 | C4 | N1 | 125.9° | 180.0° |
| C3 | C2 | C1 | H10 | 180.0° | 60.0° |
| C3 | C2 | C1 | H11 | 60.0° | 180.0° |
| C3 | C2 | C1 | H12 | 60.0° | 60.0° |
| C3 | C2 | H13 | H14 | 118.4° | 120.0° |
| C2 | C3 | H18 | H19 | 118.5° | 120.1° |
| C2 | C3 | C4 | H20 | 5.4° | 60.0° |
| C2 | C3 | C4 | H21 | 113.6° | 60.0° |
| C4 | N1 | C5 | H39 | 180.0° | 179.9° |
| C4 | N1 | C5 | C6 | 33.9° | 179.9° |
| C4 | N1 | C5 | O1 | 146.1° | 0.0° |
| N1 | C4 | C3 | H18 | 5.4° | 59.9° |
| N1 | C4 | C3 | H19 | 113.6° | 60.0° |
| N1 | C4 | H20 | H21 | 118.6° | 120.0° |
| C26 | C27 | C28 | C29 | 24.2° | 61.0° |
| C26 | C27 | C28 | H4 | 121.9° | 119.9° |
| C26 | C27 | C28 | H5 | 121.9° | 119.9° |
| C26 | C27 | C28 | H2 | 144.8° | 178.8° |
| C26 | C27 | C28 | H3 | 96.5° | 59.1° |
| C26 | C27 | H4 | H5 | 113.8° | 120.2° |
| C27 | C26 | H6 | H7 | 113.7° | 120.2° |
| C27 | C26 | C25 | H8 | 146.2° | 60.8° |
| C27 | C26 | C25 | H9 | 94.6° | 179.8° |
| N1 | C5 | C6 | O1 | 179.9° | 180.0° |
| N1 | C5 | C6 | C7 | 0.1° | 67.9° |
| C5 | N1 | C4 | H20 | 11.5° | 59.9° |
| C5 | N1 | C4 | H21 | 130.6° | 60.0° |
| C15 | C29 | C28 | H1 | 118.9° | 120.2° |
| C15 | C29 | C28 | C27 | 161.0° | 175.9° |
| C29 | C15 | C13 | C14 | 163.9° | 179.8° |
| C29 | C15 | C13 | C12 | 16.1° | 0.0° |
| C15 | C29 | C28 | H2 | 78.4° | 64.0° |
| C15 | C29 | C28 | H3 | 40.4° | 55.8° |
| C15 | C29 | C24 | H38 | 69.7° | 66.4° |
| C13 | C15 | C29 | C28 | 84.9° | 98.5° |
| C15 | C13 | C14 | C12 | 180.0° | 179.7° |
| C15 | C13 | C14 | C8 | 180.0° | 179.7° |
| C15 | C13 | C12 | C11 | 180.0° | 180.0° |
| C13 | C15 | C29 | H1 | 34.0° | 21.7° |
| C15 | C13 | C12 | H24 | 0.0° | 0.3° |
| C15 | C13 | C14 | H25 | 0.0° | 0.3° |
| C29 | C28 | C27 | H2 | 120.6° | 120.2° |
| C29 | C28 | C27 | H3 | 120.6° | 120.1° |
| C29 | C28 | H2 | H3 | 118.2° | 119.8° |
| C29 | C28 | C27 | H4 | 146.0° | 58.9° |
| C29 | C28 | C27 | H5 | 97.8° | 179.1° |
| C28 | C29 | C24 | H38 | 168.9° | 175.5° |
| C27 | C28 | C29 | H1 | 80.1° | 63.9° |
| C27 | C28 | H2 | H3 | 118.1° | 119.7° |
| C28 | C27 | H4 | H5 | 113.7° | 120.1° |
| C28 | C27 | C26 | H6 | 104.7° | 178.8° |
| C28 | C27 | C26 | H7 | 139.1° | 58.6° |
| C13 | C14 | C8 | H25 | 180.0° | 179.4° |
| C13 | C14 | C8 | C7 | 180.0° | 179.7° |
| C13 | C14 | C8 | C9 | 0.0° | 0.6° |
| C14 | C13 | C12 | C11 | 0.0° | 0.3° |
| C14 | C13 | C12 | H24 | 180.0° | 180.0° |
| C8 | C14 | C13 | C12 | 0.0° | 0.6° |
| C14 | C8 | C7 | C6 | 2.9° | 129.8° |
| C14 | C8 | C7 | C9 | 180.0° | 179.7° |
| C14 | C8 | C9 | C11 | 0.0° | 0.3° |
| C14 | C8 | C9 | O2 | 180.0° | 179.7° |
| C13 | C12 | C11 | H24 | 180.0° | 179.7° |
| C13 | C12 | C11 | C9 | 0.0° | 0.1° |
| C13 | C12 | C11 | H22 | 180.0° | 180.0° |
| C12 | C13 | C14 | H25 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 3.3° | 117.8° |
| C6 | C5 | N1 | H39 | 146.1° | 0.0° |
| O1 | C5 | C6 | C7 | 179.9° | 112.1° |
| O1 | C5 | N1 | H39 | 33.9° | 179.9° |
| C6 | C7 | C8 | C9 | 177.1° | 49.9° |
| C7 | C8 | C9 | C11 | 180.0° | 180.0° |
| C7 | C8 | C9 | O2 | 0.1° | 0.0° |
| C7 | C8 | C14 | H25 | 0.0° | 0.3° |
| C8 | C9 | C11 | C12 | 0.0° | 0.0° |
| C8 | C9 | C11 | O2 | 179.9° | 180.0° |
| C8 | C9 | O2 | C10 | 158.3° | 180.0° |
| C8 | C9 | C11 | H22 | 180.0° | 180.0° |
| C9 | C8 | C14 | H25 | 180.0° | 180.0° |
| C12 | C11 | C9 | H22 | 180.0° | 180.0° |
| C12 | C11 | C9 | O2 | 180.0° | 180.0° |
| C11 | C9 | O2 | C10 | 21.8° | 0.0° |
| C9 | C11 | C12 | H24 | 180.0° | 179.8° |
| C9 | O2 | C10 | H15 | 180.0° | 180.0° |
| C9 | O2 | C10 | H16 | 60.0° | 60.0° |
| C9 | O2 | C10 | H17 | 60.0° | 59.9° |
| O2 | C9 | C11 | H22 | 0.0° | 0.0° |
| O2 | C10 | H15 | H16 | 120.0° | 120.0° |
| O2 | C10 | H15 | H17 | 120.0° | 120.1° |
| O2 | C10 | H16 | H17 | 120.0° | 120.0° |
| H1 | C29 | C28 | H2 | 40.5° | 56.2° |
| H1 | C29 | C28 | H3 | 159.3° | 176.0° |
| H1 | C29 | C24 | H38 | 48.5° | 54.2° |
| H2 | C28 | C27 | H4 | 93.3° | 61.3° |
| H2 | C28 | C27 | H5 | 22.8° | 58.9° |
| H3 | C28 | C27 | H4 | 25.4° | 179.0° |
| H3 | C28 | C27 | H5 | 141.6° | 60.8° |
| H4 | C27 | C26 | H6 | 17.2° | 61.2° |
| H4 | C27 | C26 | H7 | 99.0° | 178.6° |
| H5 | C27 | C26 | H6 | 133.4° | 59.0° |
| H5 | C27 | C26 | H7 | 17.2° | 61.2° |
| H6 | C26 | C25 | H8 | 24.2° | 59.1° |
| H6 | C26 | C25 | H9 | 143.4° | 60.3° |
| H7 | C26 | C25 | H8 | 91.9° | 179.3° |
| H7 | C26 | C25 | H9 | 27.3° | 59.9° |
| H8 | C25 | C24 | H38 | 79.6° | 56.9° |
| H9 | C25 | C24 | H38 | 39.6° | 62.7° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H10 | C1 | C2 | H13 | 59.5° | 179.9° |
| H10 | C1 | C2 | H14 | 59.5° | 60.0° |
| H11 | C1 | C2 | H13 | 60.6° | 60.0° |
| H11 | C1 | C2 | H14 | 179.5° | 60.1° |
| H12 | C1 | C2 | H13 | 179.5° | 60.0° |
| H12 | C1 | C2 | H14 | 60.5° | 180.0° |
| H13 | C2 | C3 | H18 | 18.2° | 180.0° |
| H13 | C2 | C3 | H19 | 137.2° | 60.0° |
| H14 | C2 | C3 | H18 | 137.2° | 59.9° |
| H14 | C2 | C3 | H19 | 103.8° | 180.0° |
| H15 | C10 | H16 | H17 | 120.0° | 120.0° |
| H18 | C3 | C4 | H20 | 115.1° | 180.0° |
| H18 | C3 | C4 | H21 | 125.9° | 60.0° |
| H19 | C3 | C4 | H20 | 125.9° | 60.1° |
| H19 | C3 | C4 | H21 | 6.9° | 180.0° |
| H20 | C4 | N1 | H39 | 168.5° | 120.0° |
| H21 | C4 | N1 | H39 | 49.4° | 120.0° |
| H22 | C11 | C12 | H24 | 0.0° | 0.3° |
| H23 | C16 | C17 | H26 | 60.9° | 62.0° |
| H23 | C16 | C17 | H27 | 179.4° | 179.3° |
| H23 | C16 | C22 | H36 | 58.9° | 160.4° |
| H23 | C16 | C22 | H37 | 177.4° | 79.0° |
| H26 | C17 | C18 | H28 | 29.3° | 81.0° |
| H26 | C17 | C18 | H29 | 89.3° | 39.4° |
| H27 | C17 | C18 | H28 | 89.2° | 160.4° |
| H27 | C17 | C18 | H29 | 152.2° | 79.2° |
| H28 | C18 | C19 | H30 | 71.3° | 95.2° |
| H28 | C18 | C19 | H31 | 47.3° | 146.3° |
| H29 | C18 | C19 | H30 | 170.1° | 25.3° |
| H29 | C18 | C19 | H31 | 71.4° | 93.3° |
| H30 | C19 | C20 | H32 | 3.5° | 41.6° |
| H30 | C19 | C20 | H33 | 115.1° | 76.7° |
| H31 | C19 | C20 | H32 | 122.0° | 160.1° |
| H31 | C19 | C20 | H33 | 3.4° | 41.8° |
| H32 | C20 | C21 | H34 | 165.4° | 41.8° |
| H32 | C20 | C21 | H35 | 76.0° | 76.7° |
| H33 | C20 | C21 | H34 | 76.0° | 160.1° |
| H33 | C20 | C21 | H35 | 42.6° | 41.7° |
| H34 | C21 | C22 | H36 | 87.1° | 146.4° |
| H34 | C21 | C22 | H37 | 154.4° | 93.1° |
| H35 | C21 | C22 | H36 | 31.5° | 95.2° |
| H35 | C21 | C22 | H37 | 87.0° | 25.3° |
