5QE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C28 | sing | 1.51Å | 1.49Å | |
| O30 | C28 | doub | 1.21Å | 1.24Å | |
| C17 | C19 | sing | 1.53Å | 1.53Å | |
| C28 | N27 | sing | 1.35Å | 1.30Å | |
| O20 | C19 | sing | 1.41Å | 1.41Å | |
| O20 | C21 | sing | 1.41Å | 1.42Å | |
| C24 | C21 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| N27 | C14 | sing | 1.40Å | 1.46Å | |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C18 | N17 | sing | 1.47Å | 1.50Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | N17 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| N17 | C5 | sing | 1.39Å | 1.42Å | |
| C15 | C16 | doub | 1.38Å | 1.44Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C8 | C4 | sing | 1.51Å | 1.53Å | |
| C8 | O8 | sing | 1.43Å | 1.41Å | |
| C5 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C5 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.56Å | |
| C4 | C3 | sing | 1.37Å | 1.41Å | Aromatic |
| N6 | C7 | doub | 1.32Å | 1.37Å | Aromatic |
| O8 | C30 | sing | 1.43Å | 1.43Å | |
| C9 | S8 | sing | 1.81Å | 1.77Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | sing | 1.53Å | 1.52Å | |
| C30 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | C2 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | S8 | sing | 1.76Å | 1.70Å | |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.53Å | |
| C2 | C1 | sing | 1.43Å | 1.28Å | |
| C1 | N1 | trip | 1.14Å | 1.17Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| N27 | H4 | sing | 0.97Å | 1.00Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | H13 | sing | 1.09Å | 1.10Å | |
| C6 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| C8 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.11Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.11Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C28 | O30 | 118.2° | 120.0° |
| C20 | C28 | N27 | 117.4° | 120.0° |
| C28 | C20 | H1 | 109.5° | 109.4° |
| C28 | C20 | H2 | 109.5° | 109.5° |
| C28 | C20 | H3 | 109.5° | 109.5° |
| O30 | C28 | N27 | 124.3° | 120.0° |
| C17 | C19 | O20 | 112.8° | 111.6° |
| C17 | C19 | C18 | 113.1° | 109.8° |
| C17 | C19 | H25 | 104.9° | 107.5° |
| C19 | C17 | H26 | 109.5° | 109.5° |
| C19 | C17 | H27 | 109.5° | 109.5° |
| C19 | C17 | H28 | 109.5° | 109.5° |
| C28 | N27 | C14 | 122.1° | 119.9° |
| C28 | N27 | H4 | 119.0° | 120.0° |
| C19 | O20 | C21 | 110.5° | 121.8° |
| O20 | C19 | C18 | 113.5° | 111.9° |
| O20 | C19 | H25 | 106.3° | 108.4° |
| O20 | C21 | C24 | 114.4° | 111.4° |
| O20 | C21 | C22 | 115.6° | 112.8° |
| O20 | C21 | H29 | 105.0° | 108.2° |
| C24 | C21 | C22 | 112.3° | 109.7° |
| C24 | C21 | H29 | 104.1° | 107.1° |
| C21 | C24 | H30 | 109.5° | 109.5° |
| C21 | C24 | H31 | 109.5° | 109.5° |
| C21 | C24 | H32 | 109.4° | 109.5° |
| C19 | C18 | N17 | 113.8° | 108.8° |
| C19 | C18 | H23 | 108.4° | 109.8° |
| C19 | C18 | H24 | 108.4° | 109.7° |
| C18 | C19 | H25 | 105.2° | 107.5° |
| C21 | C22 | N17 | 116.5° | 109.7° |
| C22 | C21 | H29 | 103.8° | 107.5° |
| C21 | C22 | H33 | 107.7° | 109.8° |
| C21 | C22 | H34 | 107.7° | 109.6° |
| N27 | C14 | C13 | 125.4° | 120.1° |
| N27 | C14 | C15 | 118.7° | 120.1° |
| C14 | N27 | H4 | 118.9° | 120.0° |
| C14 | C13 | C12 | 120.0° | 120.0° |
| C13 | C14 | C15 | 115.9° | 119.8° |
| C14 | C13 | H7 | 120.0° | 120.0° |
| C13 | C12 | C11 | 122.7° | 120.1° |
| C12 | C13 | H7 | 120.0° | 120.0° |
| C13 | C12 | H8 | 118.6° | 120.0° |
| C18 | N17 | C22 | 119.9° | 109.1° |
| C18 | N17 | C5 | 120.4° | 110.8° |
| N17 | C18 | H23 | 108.3° | 109.5° |
| N17 | C18 | H24 | 108.4° | 109.4° |
| C14 | C15 | C16 | 124.5° | 120.0° |
| C14 | C15 | H5 | 117.7° | 120.0° |
| C22 | N17 | C5 | 119.3° | 111.0° |
| N17 | C22 | H33 | 107.7° | 109.4° |
| N17 | C22 | H34 | 107.7° | 109.3° |
| C12 | C11 | C16 | 119.5° | 120.1° |
| C12 | C11 | C10 | 120.7° | 119.9° |
| C11 | C12 | H8 | 118.7° | 119.9° |
| N17 | C5 | C4 | 125.8° | 119.4° |
| N17 | C5 | N6 | 116.6° | 119.5° |
| C15 | C16 | C11 | 117.3° | 120.1° |
| C16 | C15 | H5 | 117.8° | 120.0° |
| C15 | C16 | H6 | 121.3° | 120.0° |
| C16 | C11 | C10 | 119.8° | 119.9° |
| C11 | C16 | H6 | 121.4° | 120.0° |
| C11 | C10 | C9 | 113.4° | 109.4° |
| C11 | C10 | H9 | 108.5° | 109.5° |
| C11 | C10 | H10 | 108.5° | 109.5° |
| C4 | C8 | O8 | 109.9° | 110.2° |
| C8 | C4 | C5 | 121.9° | 119.3° |
| C8 | C4 | C3 | 117.3° | 121.5° |
| C4 | C8 | H21 | 109.3° | 109.4° |
| C4 | C8 | H22 | 109.4° | 109.3° |
| C8 | O8 | C30 | 114.1° | 113.3° |
| O8 | C8 | H21 | 109.3° | 109.3° |
| O8 | C8 | H22 | 109.3° | 109.4° |
| C4 | C5 | N6 | 117.6° | 121.1° |
| C5 | C4 | C3 | 120.7° | 119.2° |
| C5 | N6 | C7 | 124.1° | 121.8° |
| C10 | C9 | S8 | 109.6° | 109.4° |
| C9 | C10 | H9 | 108.5° | 109.4° |
| C9 | C10 | H10 | 108.5° | 109.5° |
| C10 | C9 | H11 | 109.4° | 109.4° |
| C10 | C9 | H12 | 109.4° | 109.5° |
| C4 | C3 | C2 | 118.7° | 118.7° |
| C4 | C3 | C6 | 122.3° | 121.7° |
| N6 | C7 | C2 | 119.2° | 120.2° |
| N6 | C7 | S8 | 116.7° | 119.9° |
| O8 | C30 | C26 | 113.7° | 109.8° |
| O8 | C30 | C25 | 107.4° | 109.6° |
| O8 | C30 | C6 | 108.2° | 108.5° |
| C9 | S8 | C7 | 105.6° | 100.0° |
| S8 | C9 | H11 | 109.5° | 109.4° |
| S8 | C9 | H12 | 109.4° | 109.5° |
| C26 | C30 | C25 | 106.9° | 109.6° |
| C26 | C30 | C6 | 109.4° | 109.6° |
| C30 | C26 | H15 | 109.5° | 109.5° |
| C30 | C26 | H16 | 109.5° | 109.5° |
| C30 | C26 | H17 | 109.5° | 109.4° |
| C25 | C30 | C6 | 111.3° | 109.6° |
| C30 | C25 | H18 | 109.5° | 109.5° |
| C30 | C25 | H19 | 109.5° | 109.4° |
| C30 | C25 | H20 | 109.5° | 109.4° |
| C30 | C6 | C3 | 112.9° | 109.7° |
| C30 | C6 | H13 | 108.6° | 109.4° |
| C30 | C6 | H14 | 108.6° | 109.4° |
| C2 | C7 | S8 | 124.1° | 119.9° |
| C7 | C2 | C3 | 119.7° | 118.9° |
| C7 | C2 | C1 | 117.7° | 120.5° |
| C2 | C3 | C6 | 119.0° | 119.6° |
| C3 | C2 | C1 | 122.6° | 120.6° |
| C3 | C6 | H13 | 108.6° | 109.4° |
| C3 | C6 | H14 | 108.6° | 109.4° |
| C2 | C1 | N1 | 178.9° | 180.0° |
| H1 | C20 | H2 | 109.4° | 109.5° |
| H1 | C20 | H3 | 109.5° | 109.4° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.4° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C6 | H14 | 109.4° | 109.5° |
| H15 | C26 | H16 | 109.5° | 109.5° |
| H15 | C26 | H17 | 109.4° | 109.5° |
| H16 | C26 | H17 | 109.5° | 109.5° |
| H18 | C25 | H19 | 109.5° | 109.5° |
| H18 | C25 | H20 | 109.4° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.5° |
| H21 | C8 | H22 | 109.5° | 109.2° |
| H23 | C18 | H24 | 109.5° | 109.7° |
| H26 | C17 | H27 | 109.4° | 109.4° |
| H26 | C17 | H28 | 109.4° | 109.4° |
| H27 | C17 | H28 | 109.5° | 109.5° |
| H30 | C24 | H31 | 109.5° | 109.4° |
| H30 | C24 | H32 | 109.4° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.4° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C28 | O30 | N27 | 179.3° | 179.8° |
| C20 | C28 | N27 | C14 | 175.5° | 175.1° |
| C28 | C20 | H1 | H2 | 120.0° | 120.1° |
| C28 | C20 | H1 | H3 | 120.0° | 119.9° |
| C28 | C20 | H2 | H3 | 120.0° | 120.0° |
| C20 | C28 | N27 | H4 | 4.4° | 4.8° |
| O30 | C28 | N27 | C14 | 3.8° | 4.6° |
| O30 | C28 | C20 | H1 | 0.0° | 90.0° |
| O30 | C28 | C20 | H2 | 120.0° | 150.0° |
| O30 | C28 | C20 | H3 | 120.0° | 30.0° |
| O30 | C28 | N27 | H4 | 176.2° | 175.4° |
| C17 | C19 | O20 | C18 | 130.3° | 123.4° |
| C17 | C19 | O20 | H25 | 114.5° | 118.2° |
| C17 | C19 | O20 | C21 | 164.9° | 84.5° |
| C17 | C19 | C18 | H25 | 114.0° | 116.6° |
| C17 | C19 | C18 | N17 | 172.6° | 73.9° |
| C17 | C19 | C18 | H23 | 52.0° | 166.3° |
| C17 | C19 | C18 | H24 | 66.8° | 45.8° |
| C19 | C17 | H26 | H27 | 120.0° | 120.0° |
| C19 | C17 | H26 | H28 | 120.0° | 120.1° |
| C19 | C17 | H27 | H28 | 120.0° | 120.1° |
| C28 | N27 | C14 | H4 | 180.0° | 180.0° |
| C28 | N27 | C14 | C13 | 35.9° | 145.2° |
| C28 | N27 | C14 | C15 | 141.9° | 35.1° |
| N27 | C28 | C20 | H1 | 179.4° | 89.8° |
| N27 | C28 | C20 | H2 | 60.6° | 30.2° |
| N27 | C28 | C20 | H3 | 59.4° | 150.3° |
| C19 | O20 | C21 | C24 | 174.9° | 86.9° |
| O20 | C19 | C18 | H25 | 115.8° | 118.9° |
| C19 | O20 | C21 | C22 | 52.2° | 36.9° |
| O20 | C19 | C18 | N17 | 42.4° | 50.6° |
| O20 | C19 | C18 | H23 | 78.3° | 69.2° |
| O20 | C19 | C18 | H24 | 163.0° | 170.2° |
| O20 | C19 | C17 | H26 | 180.0° | 64.6° |
| O20 | C19 | C17 | H27 | 60.0° | 55.4° |
| O20 | C19 | C17 | H28 | 60.0° | 175.4° |
| C19 | O20 | C21 | H29 | 61.5° | 155.7° |
| O20 | C21 | C24 | C22 | 134.4° | 125.6° |
| O20 | C21 | C24 | H29 | 114.0° | 118.1° |
| C21 | O20 | C19 | C18 | 64.8° | 38.9° |
| O20 | C21 | C22 | H29 | 114.4° | 119.2° |
| O20 | C21 | C22 | N17 | 19.3° | 46.7° |
| C21 | O20 | C19 | H25 | 50.4° | 157.3° |
| O20 | C21 | C24 | H30 | 180.0° | 60.0° |
| O20 | C21 | C24 | H31 | 60.0° | 180.0° |
| O20 | C21 | C24 | H32 | 60.0° | 60.0° |
| O20 | C21 | C22 | H33 | 140.3° | 166.8° |
| O20 | C21 | C22 | H34 | 101.7° | 73.3° |
| C24 | C21 | C22 | H29 | 111.8° | 116.1° |
| C24 | C21 | C22 | N17 | 153.1° | 78.1° |
| C21 | C24 | H30 | H31 | 120.0° | 120.1° |
| C21 | C24 | H30 | H32 | 120.0° | 120.0° |
| C21 | C24 | H31 | H32 | 120.0° | 120.0° |
| C24 | C21 | C22 | H33 | 85.9° | 42.0° |
| C24 | C21 | C22 | H34 | 32.0° | 161.9° |
| C19 | C18 | N17 | H23 | 120.6° | 120.0° |
| C19 | C18 | N17 | H24 | 120.7° | 119.8° |
| C19 | C18 | N17 | C22 | 8.9° | 64.3° |
| C19 | C18 | N17 | C5 | 163.4° | 173.2° |
| C19 | C18 | H23 | H24 | 118.1° | 120.5° |
| C18 | C19 | C17 | H26 | 49.4° | 60.0° |
| C18 | C19 | C17 | H27 | 70.5° | 180.0° |
| C18 | C19 | C17 | H28 | 169.4° | 60.0° |
| C21 | C22 | N17 | C18 | 2.0° | 62.3° |
| C21 | C22 | N17 | H33 | 121.0° | 120.4° |
| C21 | C22 | N17 | H34 | 121.0° | 120.1° |
| C21 | C22 | N17 | C5 | 174.3° | 175.2° |
| C22 | C21 | C24 | H30 | 45.6° | 65.6° |
| C22 | C21 | C24 | H31 | 165.6° | 54.4° |
| C22 | C21 | C24 | H32 | 74.3° | 174.4° |
| C21 | C22 | H33 | H34 | 116.8° | 120.1° |
| N27 | C14 | C13 | C15 | 177.8° | 179.7° |
| N27 | C14 | C13 | C12 | 179.3° | 180.0° |
| N27 | C14 | C15 | C16 | 178.2° | 180.0° |
| N27 | C14 | C15 | H5 | 1.7° | 0.1° |
| N27 | C14 | C13 | H7 | 0.7° | 0.1° |
| C14 | C13 | C12 | H7 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 1.4° | 0.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.3° |
| C13 | C14 | N27 | H4 | 144.1° | 34.8° |
| C13 | C14 | C15 | H5 | 179.7° | 179.8° |
| C14 | C13 | C12 | H8 | 178.6° | 180.0° |
| C12 | C13 | C14 | C15 | 1.5° | 0.2° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C16 | 0.0° | 0.3° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C18 | N17 | C22 | C5 | 172.3° | 122.4° |
| C18 | N17 | C5 | C4 | 22.9° | 115.1° |
| C18 | N17 | C5 | N6 | 156.8° | 65.0° |
| N17 | C18 | H23 | H24 | 118.0° | 120.1° |
| N17 | C18 | C19 | H25 | 73.5° | 169.5° |
| C18 | N17 | C22 | H33 | 119.0° | 177.3° |
| C18 | N17 | C22 | H34 | 123.0° | 57.8° |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 1.1° | 0.0° |
| C15 | C14 | N27 | H4 | 38.1° | 144.9° |
| C14 | C15 | C16 | H6 | 178.9° | 180.0° |
| C15 | C14 | C13 | H7 | 178.5° | 179.8° |
| C22 | N17 | C5 | C4 | 164.8° | 123.5° |
| C22 | N17 | C5 | N6 | 15.5° | 56.4° |
| C22 | N17 | C18 | H23 | 111.8° | 55.6° |
| C22 | N17 | C18 | H24 | 129.5° | 175.9° |
| N17 | C22 | C21 | H29 | 95.1° | 165.8° |
| N17 | C22 | H33 | H34 | 116.8° | 119.5° |
| C12 | C11 | C16 | C15 | 1.2° | 0.3° |
| C12 | C11 | C16 | C10 | 179.7° | 179.7° |
| C12 | C11 | C10 | C9 | 69.7° | 90.1° |
| C12 | C11 | C16 | H6 | 178.8° | 179.7° |
| C11 | C12 | C13 | H7 | 178.6° | 180.0° |
| C12 | C11 | C10 | H9 | 51.0° | 150.0° |
| C12 | C11 | C10 | H10 | 169.7° | 30.0° |
| N17 | C5 | C4 | C8 | 4.8° | 0.4° |
| N17 | C5 | C4 | N6 | 179.7° | 179.9° |
| N17 | C5 | C4 | C3 | 178.5° | 179.9° |
| N17 | C5 | N6 | C7 | 179.2° | 179.9° |
| C5 | N17 | C18 | H23 | 76.0° | 66.9° |
| C5 | N17 | C18 | H24 | 42.7° | 53.4° |
| C5 | N17 | C22 | H33 | 53.3° | 54.8° |
| C5 | N17 | C22 | H34 | 64.6° | 64.6° |
| C15 | C16 | C11 | H6 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 178.6° | 180.0° |
| C16 | C11 | C10 | C9 | 110.1° | 90.2° |
| C11 | C16 | C15 | H5 | 179.0° | 180.0° |
| C16 | C11 | C12 | H8 | 180.0° | 179.7° |
| C16 | C11 | C10 | H9 | 129.3° | 29.7° |
| C16 | C11 | C10 | H10 | 10.5° | 149.7° |
| C11 | C10 | C9 | H9 | 120.6° | 120.0° |
| C11 | C10 | C9 | H10 | 120.6° | 120.0° |
| C11 | C10 | C9 | S8 | 172.2° | 180.0° |
| C10 | C11 | C16 | H6 | 1.4° | 0.0° |
| C10 | C11 | C12 | H8 | 0.3° | 0.0° |
| C11 | C10 | H9 | H10 | 118.2° | 120.0° |
| C11 | C10 | C9 | H11 | 52.1° | 60.0° |
| C11 | C10 | C9 | H12 | 67.8° | 60.0° |
| C4 | C8 | O8 | H21 | 120.1° | 120.2° |
| C4 | C8 | O8 | H22 | 120.1° | 120.2° |
| C8 | C4 | C5 | C3 | 176.7° | 179.7° |
| C8 | C4 | C5 | N6 | 175.5° | 179.5° |
| C4 | C8 | O8 | C30 | 61.4° | 51.7° |
| C8 | C4 | C3 | C2 | 175.1° | 179.4° |
| C8 | C4 | C3 | C6 | 3.3° | 0.9° |
| C4 | C8 | H21 | H22 | 119.8° | 119.6° |
| O8 | C8 | C4 | C5 | 154.1° | 164.0° |
| O8 | C8 | C4 | C3 | 22.7° | 16.3° |
| C8 | O8 | C30 | C26 | 52.4° | 169.8° |
| C8 | O8 | C30 | C25 | 170.4° | 49.4° |
| C8 | O8 | C30 | C6 | 69.3° | 70.3° |
| O8 | C8 | H21 | H22 | 119.8° | 119.7° |
| C4 | C5 | N6 | C7 | 0.5° | 0.0° |
| C5 | C4 | C3 | C2 | 1.8° | 0.3° |
| C5 | C4 | C3 | C6 | 179.8° | 179.4° |
| C5 | C4 | C8 | H21 | 34.0° | 75.8° |
| C5 | C4 | C8 | H22 | 85.8° | 43.7° |
| N6 | C5 | C4 | C3 | 1.2° | 0.2° |
| C5 | N6 | C7 | C2 | 0.4° | 0.1° |
| C5 | N6 | C7 | S8 | 179.4° | 179.8° |
| C10 | C9 | S8 | H11 | 120.0° | 119.9° |
| C10 | C9 | S8 | H12 | 120.0° | 120.1° |
| C10 | C9 | S8 | C7 | 85.1° | 180.0° |
| C9 | C10 | H9 | H10 | 118.2° | 120.1° |
| C10 | C9 | H11 | H12 | 119.9° | 120.1° |
| C4 | C3 | C6 | C30 | 4.3° | 17.1° |
| C4 | C3 | C2 | C7 | 1.6° | 0.1° |
| C4 | C3 | C2 | C6 | 178.5° | 179.7° |
| C4 | C3 | C2 | C1 | 179.4° | 179.9° |
| C4 | C3 | C6 | H13 | 116.2° | 103.0° |
| C4 | C3 | C6 | H14 | 124.8° | 137.1° |
| C3 | C4 | C8 | H21 | 142.8° | 103.9° |
| C3 | C4 | C8 | H22 | 97.3° | 136.6° |
| N6 | C7 | S8 | C9 | 10.1° | 0.3° |
| N6 | C7 | C2 | S8 | 178.9° | 179.7° |
| N6 | C7 | C2 | C3 | 0.9° | 0.1° |
| N6 | C7 | C2 | C1 | 178.8° | 179.7° |
| O8 | C30 | C26 | C25 | 118.3° | 120.5° |
| O8 | C30 | C26 | C6 | 121.1° | 119.2° |
| O8 | C30 | C25 | C6 | 118.2° | 119.0° |
| O8 | C30 | C6 | C3 | 36.9° | 48.9° |
| O8 | C30 | C6 | H13 | 83.7° | 71.2° |
| O8 | C30 | C6 | H14 | 157.4° | 168.9° |
| O8 | C30 | C26 | H15 | 180.0° | 60.5° |
| O8 | C30 | C26 | H16 | 60.0° | 59.5° |
| O8 | C30 | C26 | H17 | 60.0° | 179.5° |
| O8 | C30 | C25 | H18 | 180.0° | 59.0° |
| O8 | C30 | C25 | H19 | 60.0° | 61.0° |
| O8 | C30 | C25 | H20 | 60.0° | 179.0° |
| C30 | O8 | C8 | H21 | 178.6° | 68.5° |
| C30 | O8 | C8 | H22 | 58.7° | 171.9° |
| C9 | S8 | C7 | C2 | 168.8° | 180.0° |
| S8 | C9 | C10 | H9 | 67.2° | 60.1° |
| S8 | C9 | C10 | H10 | 51.6° | 60.0° |
| S8 | C9 | H11 | H12 | 120.0° | 120.0° |
| C26 | C30 | C25 | C6 | 119.4° | 120.4° |
| C26 | C30 | C6 | C3 | 87.5° | 168.8° |
| C26 | C30 | C6 | H13 | 152.0° | 48.8° |
| C26 | C30 | C6 | H14 | 33.0° | 71.2° |
| C30 | C26 | H15 | H16 | 120.0° | 120.0° |
| C30 | C26 | H15 | H17 | 120.0° | 120.0° |
| C30 | C26 | H16 | H17 | 120.0° | 120.0° |
| C26 | C30 | C25 | H18 | 57.6° | 179.6° |
| C26 | C30 | C25 | H19 | 177.6° | 59.6° |
| C26 | C30 | C25 | H20 | 62.4° | 60.4° |
| C25 | C30 | C6 | C3 | 154.7° | 70.8° |
| C25 | C30 | C6 | H13 | 34.1° | 169.1° |
| C25 | C30 | C6 | H14 | 84.8° | 49.2° |
| C25 | C30 | C26 | H15 | 61.7° | 60.0° |
| C25 | C30 | C26 | H16 | 58.4° | 180.0° |
| C25 | C30 | C26 | H17 | 178.3° | 60.0° |
| C30 | C25 | H18 | H19 | 120.0° | 120.0° |
| C30 | C25 | H18 | H20 | 120.0° | 119.9° |
| C30 | C25 | H19 | H20 | 120.0° | 120.0° |
| C30 | C6 | C3 | C2 | 177.3° | 163.2° |
| C30 | C6 | C3 | H13 | 120.5° | 120.0° |
| C30 | C6 | C3 | H14 | 120.5° | 120.0° |
| C30 | C6 | H13 | H14 | 118.4° | 119.9° |
| C6 | C30 | C26 | H15 | 58.9° | 179.7° |
| C6 | C30 | C26 | H16 | 178.9° | 59.6° |
| C6 | C30 | C26 | H17 | 61.1° | 60.4° |
| C6 | C30 | C25 | H18 | 61.8° | 60.0° |
| C6 | C30 | C25 | H19 | 58.2° | 180.0° |
| C6 | C30 | C25 | H20 | 178.3° | 60.0° |
| C7 | C2 | C3 | C1 | 177.7° | 179.8° |
| C7 | C2 | C3 | C6 | 179.9° | 179.6° |
| C7 | C2 | C1 | N1 | 130.1° | 132.3° |
| S8 | C7 | C2 | C3 | 179.8° | 179.8° |
| S8 | C7 | C2 | C1 | 2.3° | 0.0° |
| C7 | S8 | C9 | H11 | 154.9° | 60.0° |
| C7 | S8 | C9 | H12 | 34.9° | 60.0° |
| C3 | C2 | C1 | N1 | 47.7° | 47.5° |
| C2 | C3 | C6 | H13 | 62.2° | 76.7° |
| C2 | C3 | C6 | H14 | 56.8° | 43.2° |
| C6 | C3 | C2 | C1 | 2.2° | 0.2° |
| C3 | C6 | H13 | H14 | 118.4° | 119.9° |
| H1 | C20 | H2 | H3 | 120.0° | 120.0° |
| H5 | C15 | C16 | H6 | 1.0° | 0.0° |
| H7 | C13 | C12 | H8 | 1.4° | 0.0° |
| H9 | C10 | C9 | H11 | 172.7° | NaN° |
| H9 | C10 | C9 | H12 | 52.8° | 60.0° |
| H10 | C10 | C9 | H11 | 68.5° | 60.0° |
| H10 | C10 | C9 | H12 | 171.6° | 180.0° |
| H15 | C26 | H16 | H17 | 120.0° | 120.0° |
| H18 | C25 | H19 | H20 | 120.0° | 120.0° |
| H23 | C18 | C19 | H25 | 165.9° | 49.7° |
| H24 | C18 | C19 | H25 | 47.2° | 70.9° |
| H25 | C19 | C17 | H26 | 64.7° | 176.7° |
| H25 | C19 | C17 | H27 | 175.3° | 63.3° |
| H25 | C19 | C17 | H28 | 55.3° | 56.7° |
| H26 | C17 | H27 | H28 | 119.9° | 119.9° |
| H29 | C21 | C24 | H30 | 66.0° | 178.1° |
| H29 | C21 | C24 | H31 | 54.0° | 61.9° |
| H29 | C21 | C24 | H32 | 174.0° | 58.1° |
| H29 | C21 | C22 | H33 | 25.9° | 74.0° |
| H29 | C21 | C22 | H34 | 143.8° | 45.9° |
| H30 | C24 | H31 | H32 | 120.0° | 119.9° |
