U4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C23 | doub | 1.21Å | 1.23Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | N7 | sing | 1.35Å | 1.33Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| N7 | C18 | sing | 1.48Å | 1.48Å | |
| N7 | C17 | sing | 1.48Å | 1.48Å | |
| C18 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.54Å | 1.54Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C17 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C16 | N4 | sing | 1.49Å | 1.47Å | |
| N8 | C26 | trip | 1.14Å | 1.14Å | |
| C26 | C3 | sing | 1.43Å | 1.43Å | |
| C13 | N4 | sing | 1.48Å | 1.48Å | |
| N4 | C4 | sing | 1.38Å | 1.35Å | |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C4 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| N1 | C1 | doub | 1.33Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.48Å | 1.41Å | |
| C2 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C10 | doub | 1.41Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C12 | sing | 1.41Å | 1.33Å | Aromatic |
| C9 | N5 | sing | 1.37Å | 1.33Å | Aromatic |
| C12 | N6 | doub | 1.30Å | 1.34Å | Aromatic |
| N5 | N6 | sing | 1.40Å | 1.24Å | Aromatic |
| C1 | N2 | sing | 1.32Å | 1.35Å | Aromatic |
| C1 | N3 | sing | 1.38Å | 1.34Å | |
| C19 | N3 | sing | 1.48Å | 1.47Å | |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| N3 | C22 | sing | 1.48Å | 1.47Å | |
| C20 | C21 | sing | 1.55Å | 1.53Å | |
| C22 | C21 | sing | 1.54Å | 1.53Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C23 | C24 | 118.7° | 120.0° |
| O1 | C23 | N7 | 121.8° | 120.0° |
| C24 | C23 | N7 | 119.5° | 120.0° |
| C23 | C24 | C25 | 119.6° | 109.5° |
| C23 | C24 | H26 | 106.9° | 109.5° |
| C23 | C24 | H27 | 106.9° | 109.5° |
| C23 | N7 | C18 | 131.8° | 134.4° |
| C23 | N7 | C17 | 135.4° | 134.4° |
| C25 | C24 | H26 | 106.9° | 109.5° |
| C25 | C24 | H27 | 106.9° | 109.4° |
| C24 | C25 | H28 | 109.5° | 109.4° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C24 | C25 | H30 | 109.5° | 109.4° |
| C18 | N7 | C17 | 92.8° | 91.2° |
| N7 | C18 | C14 | 87.4° | 85.8° |
| N7 | C18 | H22 | 114.7° | 113.8° |
| N7 | C18 | H23 | 114.7° | 113.9° |
| N7 | C17 | C14 | 87.1° | 85.8° |
| N7 | C17 | H24 | 114.8° | 113.8° |
| N7 | C17 | H25 | 114.7° | 113.9° |
| C18 | C14 | C15 | 114.5° | 115.6° |
| C18 | C14 | C17 | 89.0° | 87.4° |
| C18 | C14 | C13 | 112.1° | 116.0° |
| C14 | C18 | H22 | 114.7° | 113.8° |
| C14 | C18 | H23 | 114.6° | 113.8° |
| C14 | C15 | C16 | 101.1° | 102.7° |
| C15 | C14 | C17 | 115.3° | 115.5° |
| C15 | C14 | C13 | 106.2° | 106.2° |
| C14 | C15 | H20 | 111.5° | 110.8° |
| C14 | C15 | H21 | 111.5° | 110.8° |
| C15 | C16 | N4 | 104.6° | 103.4° |
| C15 | C16 | H18 | 110.7° | 110.6° |
| C15 | C16 | H19 | 110.6° | 110.8° |
| C16 | C15 | H20 | 111.5° | 110.8° |
| C16 | C15 | H21 | 111.5° | 110.8° |
| C17 | C14 | C13 | 119.2° | 115.9° |
| C14 | C17 | H24 | 114.7° | 113.8° |
| C14 | C17 | H25 | 114.7° | 113.9° |
| C14 | C13 | N4 | 103.5° | 106.7° |
| C14 | C13 | H16 | 110.9° | 110.1° |
| C14 | C13 | H17 | 111.0° | 110.1° |
| C16 | N4 | C13 | 111.0° | 105.9° |
| C16 | N4 | C4 | 125.1° | 111.0° |
| N4 | C16 | H18 | 110.7° | 110.6° |
| N4 | C16 | H19 | 110.7° | 110.6° |
| N8 | C26 | C3 | 179.4° | 179.9° |
| C26 | C3 | C4 | 124.3° | 121.0° |
| C26 | C3 | C2 | 116.6° | 121.0° |
| C13 | N4 | C4 | 123.7° | 111.0° |
| N4 | C13 | H16 | 111.0° | 110.0° |
| N4 | C13 | H17 | 110.9° | 110.0° |
| N4 | C4 | C3 | 125.8° | 120.6° |
| N4 | C4 | N1 | 116.3° | 120.5° |
| C3 | C4 | N1 | 117.8° | 118.9° |
| C4 | C3 | C2 | 119.1° | 118.1° |
| C4 | N1 | C1 | 122.5° | 121.0° |
| C3 | C2 | C5 | 122.5° | 120.6° |
| C3 | C2 | N2 | 119.1° | 118.8° |
| C11 | C6 | C7 | 119.7° | 119.8° |
| C11 | C6 | C5 | 120.0° | 119.8° |
| C6 | C11 | H1 | 109.5° | 109.4° |
| C6 | C11 | H2 | 109.5° | 109.5° |
| C6 | C11 | H3 | 109.5° | 109.5° |
| C7 | C6 | C5 | 120.3° | 120.3° |
| C6 | C7 | C8 | 120.9° | 120.8° |
| C6 | C7 | H4 | 119.6° | 119.6° |
| C6 | C5 | C2 | 123.0° | 120.3° |
| C6 | C5 | C10 | 118.2° | 119.5° |
| N1 | C1 | N2 | 120.2° | 122.2° |
| N1 | C1 | N3 | 118.2° | 118.9° |
| C7 | C8 | C9 | 119.0° | 120.1° |
| C8 | C7 | H4 | 119.5° | 119.6° |
| C7 | C8 | H5 | 120.5° | 119.9° |
| C5 | C2 | N2 | 118.4° | 120.6° |
| C2 | C5 | C10 | 118.8° | 120.3° |
| C2 | N2 | C1 | 121.3° | 121.0° |
| C5 | C10 | C9 | 121.4° | 119.4° |
| C5 | C10 | C12 | 133.7° | 133.5° |
| C8 | C9 | C10 | 120.1° | 119.8° |
| C8 | C9 | N5 | 133.2° | 133.6° |
| C9 | C8 | H5 | 120.5° | 119.9° |
| C9 | C10 | C12 | 104.9° | 107.0° |
| C10 | C9 | N5 | 106.7° | 106.5° |
| C10 | C12 | N6 | 108.3° | 108.7° |
| C10 | C12 | H7 | 125.9° | 125.7° |
| C9 | N5 | N6 | 110.1° | 108.1° |
| C9 | N5 | H6 | 124.9° | 126.0° |
| C12 | N6 | N5 | 110.0° | 109.7° |
| N6 | C12 | H7 | 125.9° | 125.6° |
| N6 | N5 | H6 | 124.9° | 126.0° |
| N2 | C1 | N3 | 121.6° | 118.9° |
| C1 | N3 | C19 | 123.2° | 111.0° |
| C1 | N3 | C22 | 125.1° | 111.0° |
| N3 | C19 | C20 | 106.4° | 104.8° |
| C19 | N3 | C22 | 111.5° | 108.6° |
| N3 | C19 | H8 | 110.2° | 110.3° |
| N3 | C19 | H9 | 110.2° | 110.4° |
| C19 | C20 | C21 | 105.9° | 101.7° |
| C20 | C19 | H8 | 110.2° | 110.3° |
| C20 | C19 | H9 | 110.2° | 110.4° |
| C19 | C20 | H10 | 110.4° | 111.0° |
| C19 | C20 | H11 | 110.4° | 111.0° |
| N3 | C22 | C21 | 104.1° | 107.3° |
| N3 | C22 | H14 | 110.8° | 109.9° |
| N3 | C22 | H15 | 110.8° | 109.8° |
| C20 | C21 | C22 | 107.1° | 103.0° |
| C21 | C20 | H10 | 110.3° | 111.0° |
| C21 | C20 | H11 | 110.4° | 110.9° |
| C20 | C21 | H12 | 110.1° | 110.7° |
| C20 | C21 | H13 | 110.0° | 110.7° |
| C22 | C21 | H12 | 110.1° | 110.7° |
| C22 | C21 | H13 | 110.1° | 110.8° |
| C21 | C22 | H14 | 110.8° | 109.9° |
| C21 | C22 | H15 | 110.8° | 109.9° |
| H1 | C11 | H2 | 109.4° | 109.5° |
| H1 | C11 | H3 | 109.5° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 110.4° |
| H10 | C20 | H11 | 109.4° | 110.9° |
| H12 | C21 | H13 | 109.5° | 110.7° |
| H14 | C22 | H15 | 109.5° | 110.0° |
| H16 | C13 | H17 | 109.5° | 110.0° |
| H18 | C16 | H19 | 109.5° | 110.6° |
| H20 | C15 | H21 | 109.4° | 110.8° |
| H22 | C18 | H23 | 109.5° | 113.0° |
| H24 | C17 | H25 | 109.5° | 113.0° |
| H26 | C24 | H27 | 109.5° | 109.5° |
| H28 | C25 | H29 | 109.5° | 109.5° |
| H28 | C25 | H30 | 109.5° | 109.5° |
| H29 | C25 | H30 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C23 | C24 | N7 | 178.2° | 180.0° |
| O1 | C23 | C24 | C25 | 68.3° | 0.0° |
| O1 | C23 | N7 | C18 | 3.4° | 0.0° |
| O1 | C23 | N7 | C17 | 178.4° | 180.0° |
| O1 | C23 | C24 | H26 | 53.1° | 120.0° |
| O1 | C23 | C24 | H27 | 170.3° | 120.0° |
| C23 | C24 | C25 | H26 | 121.4° | 120.0° |
| C23 | C24 | C25 | H27 | 121.4° | 120.0° |
| C24 | C23 | N7 | C18 | 178.5° | 180.0° |
| C24 | C23 | N7 | C17 | 0.2° | 0.0° |
| C23 | C24 | H26 | H27 | 115.4° | 120.0° |
| C23 | C24 | C25 | H28 | 180.0° | 180.0° |
| C23 | C24 | C25 | H29 | 60.0° | 60.0° |
| C23 | C24 | C25 | H30 | 60.0° | 60.0° |
| N7 | C23 | C24 | C25 | 109.9° | 180.0° |
| C23 | N7 | C18 | C17 | 178.8° | 180.0° |
| C23 | N7 | C18 | C14 | 163.9° | 156.2° |
| C23 | N7 | C17 | C14 | 163.9° | 156.2° |
| C23 | N7 | C18 | H22 | 47.9° | 41.9° |
| C23 | N7 | C18 | H23 | 80.0° | 89.6° |
| C23 | N7 | C17 | H24 | 80.1° | 89.7° |
| C23 | N7 | C17 | H25 | 48.0° | 41.9° |
| N7 | C23 | C24 | H26 | 128.7° | 60.0° |
| N7 | C23 | C24 | H27 | 11.5° | 60.0° |
| C25 | C24 | H26 | H27 | 115.4° | 120.0° |
| C24 | C25 | H28 | H29 | 120.0° | 120.0° |
| C24 | C25 | H28 | H30 | 120.0° | 119.9° |
| C24 | C25 | H29 | H30 | 120.0° | 120.0° |
| N7 | C18 | C14 | H22 | 116.0° | 114.2° |
| N7 | C18 | C14 | H23 | 116.0° | 114.4° |
| N7 | C18 | C14 | C15 | 103.2° | 140.2° |
| C18 | N7 | C17 | C14 | 14.8° | 23.8° |
| N7 | C18 | C14 | C13 | 135.6° | 94.6° |
| N7 | C18 | H22 | H23 | 130.5° | 132.0° |
| C18 | N7 | C17 | H24 | 101.2° | 90.3° |
| C18 | N7 | C17 | H25 | 130.7° | 138.1° |
| N7 | C17 | C14 | C15 | 102.5° | 140.2° |
| N7 | C17 | C14 | H24 | 116.0° | 114.2° |
| N7 | C17 | C14 | H25 | 116.0° | 114.3° |
| N7 | C17 | C14 | C13 | 129.2° | 94.7° |
| C17 | N7 | C18 | H22 | 130.9° | 138.1° |
| C17 | N7 | C18 | H23 | 101.2° | 90.4° |
| N7 | C17 | H24 | H25 | 130.7° | 132.0° |
| C18 | C14 | C15 | C17 | 101.2° | 100.0° |
| C18 | C14 | C15 | C13 | 124.3° | 130.1° |
| C18 | C14 | C15 | C16 | 89.5° | 151.4° |
| C18 | C14 | C17 | C13 | 114.9° | 117.7° |
| C18 | C14 | C13 | N4 | 104.4° | 128.4° |
| C18 | C14 | C13 | H16 | 14.7° | 112.3° |
| C18 | C14 | C13 | H17 | 136.6° | 9.1° |
| C18 | C14 | C15 | H20 | 151.9° | 33.1° |
| C18 | C14 | C15 | H21 | 29.2° | 90.3° |
| C14 | C18 | H22 | H23 | 130.5° | 131.9° |
| C18 | C14 | C17 | H24 | 101.7° | 91.1° |
| C18 | C14 | C17 | H25 | 130.2° | 137.4° |
| C14 | C15 | C16 | H20 | 118.6° | 118.4° |
| C14 | C15 | C16 | H21 | 118.7° | 118.3° |
| C15 | C14 | C17 | C13 | 128.2° | 125.1° |
| C14 | C15 | C16 | N4 | 35.0° | 36.5° |
| C15 | C14 | C13 | N4 | 21.4° | 1.5° |
| C15 | C14 | C13 | H16 | 140.5° | 117.9° |
| C15 | C14 | C13 | H17 | 97.6° | 120.8° |
| C14 | C15 | C16 | H18 | 154.3° | 155.0° |
| C14 | C15 | C16 | H19 | 84.2° | 82.0° |
| C14 | C15 | H20 | H21 | 123.9° | 123.4° |
| C15 | C14 | C18 | H22 | 12.8° | 105.6° |
| C15 | C14 | C18 | H23 | 140.7° | 25.8° |
| C15 | C14 | C17 | H24 | 141.5° | 26.1° |
| C15 | C14 | C17 | H25 | 13.4° | 105.4° |
| C16 | C15 | C14 | C17 | 169.3° | 108.6° |
| C16 | C15 | C14 | C13 | 34.8° | 21.3° |
| C15 | C16 | N4 | H18 | 119.2° | 118.5° |
| C15 | C16 | N4 | H19 | 119.2° | 118.6° |
| C15 | C16 | N4 | C13 | 23.4° | 38.6° |
| C15 | C16 | N4 | C4 | 150.2° | 159.2° |
| C15 | C16 | H18 | H19 | 122.2° | 123.1° |
| C16 | C15 | H20 | H21 | 123.9° | 123.3° |
| C17 | C14 | C13 | N4 | 153.8° | 131.2° |
| C17 | C14 | C13 | H16 | 87.2° | 11.9° |
| C17 | C14 | C13 | H17 | 34.8° | 109.5° |
| C17 | C14 | C15 | H20 | 50.7° | 133.1° |
| C17 | C14 | C15 | H21 | 72.0° | 9.7° |
| C17 | C14 | C18 | H22 | 130.4° | 137.2° |
| C17 | C14 | C18 | H23 | 101.7° | 91.3° |
| C14 | C17 | H24 | H25 | 130.6° | 131.9° |
| C14 | C13 | N4 | C16 | 1.3° | 25.1° |
| C14 | C13 | N4 | H16 | 119.1° | 119.4° |
| C14 | C13 | N4 | H17 | 119.1° | 119.3° |
| C14 | C13 | N4 | C4 | 172.4° | 145.7° |
| C14 | C13 | H16 | H17 | 122.8° | 121.4° |
| C13 | C14 | C15 | H20 | 83.8° | 97.0° |
| C13 | C14 | C15 | H21 | 153.5° | 139.6° |
| C13 | C14 | C18 | H22 | 108.3° | 19.6° |
| C13 | C14 | C18 | H23 | 19.6° | 151.1° |
| C13 | C14 | C17 | H24 | 13.2° | 151.2° |
| C13 | C14 | C17 | H25 | 114.8° | 19.7° |
| C16 | N4 | C13 | C4 | 173.7° | 120.5° |
| C16 | N4 | C4 | C3 | 12.1° | 62.5° |
| C16 | N4 | C4 | N1 | 167.0° | 117.5° |
| C16 | N4 | C13 | H16 | 117.8° | 94.2° |
| C16 | N4 | C13 | H17 | 120.4° | 144.5° |
| N4 | C16 | H18 | H19 | 122.3° | 122.9° |
| N4 | C16 | C15 | H20 | 83.6° | 81.8° |
| N4 | C16 | C15 | H21 | 153.7° | 154.9° |
| N8 | C26 | C3 | C4 | 156.6° | 105.6° |
| N8 | C26 | C3 | C2 | 23.0° | 74.4° |
| C26 | C3 | C4 | N4 | 1.4° | 0.0° |
| C26 | C3 | C4 | C2 | 179.6° | 179.9° |
| C26 | C3 | C4 | N1 | 179.6° | 180.0° |
| C26 | C3 | C2 | C5 | 1.7° | 0.1° |
| C26 | C3 | C2 | N2 | 179.8° | 179.7° |
| C13 | N4 | C4 | C3 | 175.0° | 180.0° |
| C13 | N4 | C4 | N1 | 5.9° | 0.1° |
| N4 | C13 | H16 | H17 | 122.7° | 121.3° |
| C13 | N4 | C16 | H18 | 142.7° | 157.1° |
| C13 | N4 | C16 | H19 | 95.8° | 80.0° |
| N4 | C4 | C3 | N1 | 179.0° | 180.0° |
| N4 | C4 | C3 | C2 | 179.0° | 179.9° |
| N4 | C4 | N1 | C1 | 178.6° | 179.7° |
| C4 | N4 | C13 | H16 | 68.5° | 26.3° |
| C4 | N4 | C13 | H17 | 53.4° | 95.0° |
| C4 | N4 | C16 | H18 | 31.0° | 82.3° |
| C4 | N4 | C16 | H19 | 90.6° | 40.6° |
| C3 | C4 | N1 | C1 | 0.5° | 0.3° |
| C4 | C3 | C2 | C5 | 178.7° | 180.0° |
| C4 | C3 | C2 | N2 | 0.6° | 0.4° |
| N1 | C4 | C3 | C2 | 0.0° | 0.0° |
| C4 | N1 | C1 | N2 | 0.4° | 0.3° |
| C4 | N1 | C1 | N3 | 178.9° | 179.7° |
| C3 | C2 | C5 | C6 | 94.8° | 123.0° |
| C3 | C2 | C5 | N2 | 178.1° | 179.6° |
| C3 | C2 | C5 | C10 | 86.2° | 57.2° |
| C3 | C2 | N2 | C1 | 0.7° | 0.4° |
| C11 | C6 | C7 | C5 | 179.6° | 179.7° |
| C11 | C6 | C7 | C8 | 180.0° | 180.0° |
| C11 | C6 | C5 | C2 | 0.9° | 0.0° |
| C11 | C6 | C5 | C10 | 180.0° | 179.8° |
| C6 | C11 | H1 | H2 | 120.0° | 120.0° |
| C6 | C11 | H1 | H3 | 120.0° | 120.0° |
| C6 | C11 | H2 | H3 | 120.0° | 120.0° |
| C11 | C6 | C7 | H4 | 0.0° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C7 | C6 | C5 | C2 | 179.4° | 179.7° |
| C7 | C6 | C5 | C10 | 0.4° | 0.5° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C7 | C6 | C11 | H1 | 89.8° | 98.2° |
| C7 | C6 | C11 | H2 | 150.2° | 141.9° |
| C7 | C6 | C11 | H3 | 30.2° | 21.8° |
| C6 | C7 | C8 | H5 | 179.7° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.2° |
| C6 | C5 | C2 | C10 | 179.1° | 179.8° |
| C6 | C5 | C2 | N2 | 87.1° | 56.6° |
| C6 | C5 | C10 | C9 | 0.3° | 0.4° |
| C6 | C5 | C10 | C12 | 179.6° | 179.8° |
| C5 | C6 | C11 | H1 | 89.8° | 82.1° |
| C5 | C6 | C11 | H2 | 30.2° | 37.9° |
| C5 | C6 | C11 | H3 | 150.2° | 157.9° |
| C5 | C6 | C7 | H4 | 179.6° | 179.7° |
| N1 | C1 | N2 | C2 | 0.3° | 0.1° |
| N1 | C1 | N2 | N3 | 178.4° | 180.0° |
| N1 | C1 | N3 | C19 | 5.0° | 35.5° |
| N1 | C1 | N3 | C22 | 179.6° | 156.3° |
| C7 | C8 | C9 | H5 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.2° | 0.1° |
| C7 | C8 | C9 | N5 | 179.7° | 180.0° |
| C2 | C5 | C10 | C9 | 179.4° | 179.8° |
| C2 | C5 | C10 | C12 | 0.5° | 0.0° |
| C5 | C2 | N2 | C1 | 178.9° | 180.0° |
| N2 | C2 | C5 | C10 | 91.9° | 123.2° |
| C2 | N2 | C1 | N3 | 178.2° | 179.9° |
| C5 | C10 | C9 | C8 | 0.2° | 0.2° |
| C5 | C10 | C9 | C12 | 179.9° | 179.8° |
| C5 | C10 | C9 | N5 | 179.8° | 179.8° |
| C5 | C10 | C12 | N6 | 179.9° | 179.7° |
| C5 | C10 | C12 | H7 | 0.1° | 0.3° |
| C8 | C9 | C10 | N5 | 179.6° | 179.9° |
| C8 | C9 | C10 | C12 | 179.7° | 180.0° |
| C8 | C9 | N5 | N6 | 179.8° | 180.0° |
| C9 | C8 | C7 | H4 | 179.7° | 180.0° |
| C8 | C9 | N5 | H6 | 0.2° | 0.1° |
| C9 | C10 | C12 | N6 | 0.0° | 0.0° |
| C10 | C9 | N5 | N6 | 0.2° | 0.0° |
| C10 | C9 | C8 | H5 | 179.8° | 180.0° |
| C10 | C9 | N5 | H6 | 179.8° | 180.0° |
| C9 | C10 | C12 | H7 | 180.0° | 180.0° |
| C12 | C10 | C9 | N5 | 0.1° | 0.0° |
| C10 | C12 | N6 | H7 | 180.0° | 180.0° |
| C10 | C12 | N6 | N5 | 0.2° | 0.0° |
| C9 | N5 | N6 | C12 | 0.2° | 0.0° |
| C9 | N5 | N6 | H6 | 180.0° | 180.0° |
| N5 | C9 | C8 | H5 | 0.3° | 0.1° |
| C12 | N6 | N5 | H6 | 179.8° | 180.0° |
| N5 | N6 | C12 | H7 | 179.9° | 180.0° |
| N2 | C1 | N3 | C19 | 173.5° | 144.6° |
| N2 | C1 | N3 | C22 | 1.2° | 23.7° |
| C1 | N3 | C19 | C22 | 175.3° | 122.3° |
| C1 | N3 | C19 | C20 | 162.5° | 146.3° |
| C1 | N3 | C22 | C21 | 153.5° | 123.3° |
| C1 | N3 | C19 | H8 | 42.9° | 27.6° |
| C1 | N3 | C19 | H9 | 78.0° | 94.8° |
| C1 | N3 | C22 | H14 | 87.4° | 117.3° |
| C1 | N3 | C22 | H15 | 34.4° | 3.8° |
| N3 | C19 | C20 | H8 | 119.5° | 118.8° |
| N3 | C19 | C20 | H9 | 119.5° | 118.9° |
| N3 | C19 | C20 | C21 | 1.6° | 37.0° |
| C19 | N3 | C22 | C21 | 21.7° | 1.0° |
| N3 | C19 | H8 | H9 | 121.4° | 122.3° |
| N3 | C19 | C20 | H10 | 121.0° | 155.1° |
| N3 | C19 | C20 | H11 | 117.8° | 81.0° |
| C19 | N3 | C22 | H14 | 97.4° | 120.4° |
| C19 | N3 | C22 | H15 | 140.8° | 118.5° |
| C20 | C19 | N3 | C22 | 12.9° | 24.1° |
| C19 | C20 | C21 | H10 | 119.5° | 118.1° |
| C19 | C20 | C21 | H11 | 119.5° | 118.1° |
| C19 | C20 | C21 | C22 | 14.6° | 35.6° |
| C20 | C19 | H8 | H9 | 121.4° | 122.3° |
| C19 | C20 | H10 | H11 | 121.7° | 123.9° |
| C19 | C20 | C21 | H12 | 105.0° | 82.7° |
| C19 | C20 | C21 | H13 | 134.2° | 154.1° |
| N3 | C22 | C21 | C20 | 21.8° | 22.3° |
| N3 | C22 | C21 | H14 | 119.1° | 119.4° |
| N3 | C22 | C21 | H15 | 119.2° | 119.4° |
| C22 | N3 | C19 | H8 | 132.4° | 94.7° |
| C22 | N3 | C19 | H9 | 106.7° | 142.9° |
| N3 | C22 | C21 | H12 | 97.8° | 96.1° |
| N3 | C22 | C21 | H13 | 141.4° | 140.8° |
| N3 | C22 | H14 | H15 | 122.5° | 121.0° |
| C20 | C21 | C22 | H12 | 119.6° | 118.4° |
| C20 | C21 | C22 | H13 | 119.6° | 118.5° |
| C21 | C20 | C19 | H8 | 117.9° | 81.7° |
| C21 | C20 | C19 | H9 | 121.1° | 155.9° |
| C21 | C20 | H10 | H11 | 121.6° | 123.8° |
| C20 | C21 | H12 | H13 | 121.1° | 123.2° |
| C20 | C21 | C22 | H14 | 97.3° | 97.1° |
| C20 | C21 | C22 | H15 | 141.0° | 141.7° |
| C22 | C21 | C20 | H10 | 134.0° | 153.8° |
| C22 | C21 | C20 | H11 | 104.9° | 82.5° |
| C22 | C21 | H12 | H13 | 121.1° | 123.2° |
| C21 | C22 | H14 | H15 | 122.5° | 121.2° |
| H1 | C11 | H2 | H3 | 120.0° | 120.0° |
| H4 | C7 | C8 | H5 | 0.3° | 0.1° |
| H8 | C19 | C20 | H10 | 1.5° | 36.3° |
| H8 | C19 | C20 | H11 | 122.6° | 160.2° |
| H9 | C19 | C20 | H10 | 119.4° | 86.0° |
| H9 | C19 | C20 | H11 | 1.7° | 37.9° |
| H10 | C20 | C21 | H12 | 14.4° | 35.4° |
| H10 | C20 | C21 | H13 | 106.3° | 87.7° |
| H11 | C20 | C21 | H12 | 135.5° | 159.2° |
| H11 | C20 | C21 | H13 | 14.7° | 36.1° |
| H12 | C21 | C22 | H14 | 143.1° | 144.5° |
| H12 | C21 | C22 | H15 | 21.4° | 23.3° |
| H13 | C21 | C22 | H14 | 22.3° | 21.3° |
| H13 | C21 | C22 | H15 | 99.4° | 99.9° |
| H18 | C16 | C15 | H20 | 35.6° | 36.7° |
| H18 | C16 | C15 | H21 | 87.1° | 86.7° |
| H19 | C16 | C15 | H20 | 157.1° | 159.7° |
| H19 | C16 | C15 | H21 | 34.4° | 36.4° |
| H26 | C24 | C25 | H28 | 58.6° | 59.9° |
| H26 | C24 | C25 | H29 | 178.6° | 180.0° |
| H26 | C24 | C25 | H30 | 61.4° | 60.0° |
| H27 | C24 | C25 | H28 | 58.6° | 60.0° |
| H27 | C24 | C25 | H29 | 61.5° | 60.0° |
| H27 | C24 | C25 | H30 | 178.6° | 180.0° |
| H28 | C25 | H29 | H30 | 120.0° | 120.0° |
