MBX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C20 | doub | 1.33Å | 1.36Å | |
| C20 | C28 | sing | 1.47Å | 1.50Å | |
| O30 | C28 | doub | 1.22Å | 1.20Å | |
| C17 | C19 | sing | 1.53Å | 1.52Å | |
| C28 | N27 | sing | 1.35Å | 1.36Å | |
| O20 | C19 | sing | 1.43Å | 1.42Å | |
| O20 | C21 | sing | 1.43Å | 1.44Å | |
| C24 | C21 | sing | 1.53Å | 1.52Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| N27 | C14 | sing | 1.40Å | 1.38Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | N17 | sing | 1.47Å | 1.45Å | |
| C14 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | N17 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| N17 | C5 | sing | 1.39Å | 1.42Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C8 | C4 | sing | 1.51Å | 1.51Å | |
| C8 | O8 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | N6 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | C9 | sing | 1.53Å | 1.50Å | |
| C4 | C3 | sing | 1.37Å | 1.40Å | Aromatic |
| N6 | C7 | doub | 1.32Å | 1.35Å | Aromatic |
| O8 | C30 | sing | 1.43Å | 1.41Å | |
| C9 | S8 | sing | 1.81Å | 1.78Å | |
| C26 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| C30 | C6 | sing | 1.53Å | 1.54Å | |
| C7 | S8 | sing | 1.76Å | 1.71Å | |
| C7 | C2 | sing | 1.41Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.52Å | |
| C2 | C1 | sing | 1.43Å | 1.28Å | |
| C1 | N1 | trip | 1.14Å | 1.16Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H17 | sing | 1.08Å | 1.08Å | |
| C12 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| N27 | H31 | sing | 0.97Å | 1.00Å | |
| C20 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C23 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C20 | C28 | 122.7° | 120.0° |
| C23 | C20 | H32 | 118.7° | 120.0° |
| C20 | C23 | H33 | 120.0° | 120.0° |
| C20 | C23 | H34 | 120.0° | 120.0° |
| C20 | C28 | O30 | 116.2° | 120.0° |
| C20 | C28 | N27 | 121.9° | 120.0° |
| C28 | C20 | H32 | 118.7° | 120.0° |
| O30 | C28 | N27 | 121.9° | 120.0° |
| C17 | C19 | O20 | 106.5° | 109.5° |
| C17 | C19 | C18 | 112.1° | 109.5° |
| C17 | C19 | H4 | 109.2° | 109.6° |
| C19 | C17 | H19 | 109.5° | 109.5° |
| C19 | C17 | H20 | 109.4° | 109.5° |
| C19 | C17 | H21 | 109.5° | 109.5° |
| C28 | N27 | C14 | 123.4° | 120.0° |
| C28 | N27 | H31 | 118.3° | 120.0° |
| C19 | O20 | C21 | 114.6° | 113.8° |
| O20 | C19 | C18 | 109.3° | 109.3° |
| O20 | C19 | H4 | 110.6° | 109.5° |
| O20 | C21 | C24 | 106.9° | 109.5° |
| O20 | C21 | C22 | 112.9° | 109.3° |
| O20 | C21 | H3 | 108.3° | 109.5° |
| C24 | C21 | C22 | 114.1° | 109.5° |
| C24 | C21 | H3 | 107.2° | 109.5° |
| C21 | C24 | H22 | 109.5° | 109.5° |
| C21 | C24 | H23 | 109.5° | 109.4° |
| C21 | C24 | H24 | 109.5° | 109.5° |
| C19 | C18 | N17 | 107.4° | 109.3° |
| C18 | C19 | H4 | 109.2° | 109.5° |
| C19 | C18 | H5 | 110.0° | 109.6° |
| C19 | C18 | H6 | 110.0° | 109.5° |
| C21 | C22 | N17 | 109.8° | 109.2° |
| C21 | C22 | H1 | 109.4° | 109.4° |
| C21 | C22 | H2 | 109.4° | 109.6° |
| C22 | C21 | H3 | 107.2° | 109.5° |
| N27 | C14 | C13 | 125.2° | 120.1° |
| N27 | C14 | C15 | 118.5° | 120.0° |
| C14 | N27 | H31 | 118.3° | 120.0° |
| C14 | C13 | C12 | 120.6° | 119.9° |
| C13 | C14 | C15 | 115.6° | 119.9° |
| C14 | C13 | H17 | 119.7° | 120.1° |
| C13 | C12 | C11 | 122.8° | 120.1° |
| C12 | C13 | H17 | 119.7° | 120.0° |
| C13 | C12 | H18 | 118.6° | 120.0° |
| C18 | N17 | C22 | 116.4° | 110.8° |
| C18 | N17 | C5 | 121.9° | 111.0° |
| N17 | C18 | H5 | 110.0° | 109.5° |
| N17 | C18 | H6 | 110.0° | 109.5° |
| C14 | C15 | C16 | 123.2° | 119.9° |
| C14 | C15 | H16 | 118.4° | 120.1° |
| C22 | N17 | C5 | 121.7° | 111.0° |
| N17 | C22 | H1 | 109.4° | 109.5° |
| N17 | C22 | H2 | 109.4° | 109.5° |
| C12 | C11 | C16 | 117.1° | 120.1° |
| C12 | C11 | C10 | 121.0° | 119.9° |
| C11 | C12 | H18 | 118.6° | 119.9° |
| N17 | C5 | C4 | 127.9° | 119.5° |
| N17 | C5 | N6 | 114.7° | 119.4° |
| C15 | C16 | C11 | 120.5° | 120.1° |
| C15 | C16 | H15 | 119.7° | 119.9° |
| C16 | C15 | H16 | 118.4° | 120.1° |
| C16 | C11 | C10 | 121.8° | 119.9° |
| C11 | C16 | H15 | 119.8° | 120.0° |
| C11 | C10 | C9 | 112.6° | 109.5° |
| C11 | C10 | H13 | 108.7° | 109.5° |
| C11 | C10 | H14 | 108.7° | 109.5° |
| C4 | C8 | O8 | 113.9° | 110.2° |
| C8 | C4 | C5 | 121.8° | 119.3° |
| C8 | C4 | C3 | 117.9° | 121.5° |
| C4 | C8 | H7 | 108.4° | 109.3° |
| C4 | C8 | H8 | 108.4° | 109.3° |
| C8 | O8 | C30 | 115.4° | 113.3° |
| O8 | C8 | H7 | 108.3° | 109.3° |
| O8 | C8 | H8 | 108.3° | 109.4° |
| C4 | C5 | N6 | 117.4° | 121.1° |
| C5 | C4 | C3 | 120.3° | 119.2° |
| C5 | N6 | C7 | 125.3° | 121.7° |
| C10 | C9 | S8 | 109.3° | 109.5° |
| C10 | C9 | H11 | 109.5° | 109.5° |
| C10 | C9 | H12 | 109.5° | 109.5° |
| C9 | C10 | H13 | 108.7° | 109.5° |
| C9 | C10 | H14 | 108.7° | 109.4° |
| C4 | C3 | C2 | 119.0° | 118.8° |
| C4 | C3 | C6 | 120.7° | 121.7° |
| N6 | C7 | S8 | 115.9° | 119.9° |
| N6 | C7 | C2 | 119.0° | 120.3° |
| O8 | C30 | C26 | 109.3° | 109.7° |
| O8 | C30 | C25 | 103.7° | 109.6° |
| O8 | C30 | C6 | 112.6° | 108.5° |
| C9 | S8 | C7 | 107.4° | 100.0° |
| S8 | C9 | H11 | 109.5° | 109.5° |
| S8 | C9 | H12 | 109.5° | 109.5° |
| C26 | C30 | C25 | 108.0° | 109.6° |
| C26 | C30 | C6 | 111.3° | 109.8° |
| C30 | C26 | H28 | 109.5° | 109.5° |
| C30 | C26 | H29 | 109.4° | 109.4° |
| C30 | C26 | H30 | 109.5° | 109.5° |
| C25 | C30 | C6 | 111.6° | 109.6° |
| C30 | C25 | H25 | 109.5° | 109.5° |
| C30 | C25 | H26 | 109.5° | 109.4° |
| C30 | C25 | H27 | 109.5° | 109.5° |
| C30 | C6 | C3 | 115.4° | 109.7° |
| C30 | C6 | H9 | 108.0° | 109.5° |
| C30 | C6 | H10 | 108.0° | 109.4° |
| S8 | C7 | C2 | 125.0° | 119.8° |
| C7 | C2 | C3 | 119.0° | 118.8° |
| C7 | C2 | C1 | 119.8° | 120.6° |
| C2 | C3 | C6 | 120.3° | 119.6° |
| C3 | C2 | C1 | 121.2° | 120.6° |
| C3 | C6 | H9 | 108.0° | 109.5° |
| C3 | C6 | H10 | 108.0° | 109.1° |
| C2 | C1 | N1 | 173.6° | 180.0° |
| H1 | C22 | H2 | 109.5° | 109.5° |
| H5 | C18 | H6 | 109.5° | 109.5° |
| H7 | C8 | H8 | 109.4° | 109.2° |
| H9 | C6 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.4° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.4° |
| H19 | C17 | H21 | 109.5° | 109.4° |
| H20 | C17 | H21 | 109.5° | 109.4° |
| H22 | C24 | H23 | 109.5° | 109.4° |
| H22 | C24 | H24 | 109.4° | 109.5° |
| H23 | C24 | H24 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.5° |
| H28 | C26 | H29 | 109.5° | 109.5° |
| H28 | C26 | H30 | 109.4° | 109.5° |
| H29 | C26 | H30 | 109.5° | 109.5° |
| H33 | C23 | H34 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C20 | C28 | H32 | 180.0° | 180.0° |
| C23 | C20 | C28 | O30 | 5.3° | 0.0° |
| C23 | C20 | C28 | N27 | 173.2° | 180.0° |
| C20 | C23 | H33 | H34 | 180.0° | 180.0° |
| C20 | C28 | O30 | N27 | 178.5° | 180.0° |
| C20 | C28 | N27 | C14 | 176.5° | 174.5° |
| C20 | C28 | N27 | H31 | 3.5° | 5.5° |
| C28 | C20 | C23 | H33 | 180.0° | 0.0° |
| C28 | C20 | C23 | H34 | 0.0° | 180.0° |
| O30 | C28 | N27 | C14 | 5.1° | 5.6° |
| O30 | C28 | N27 | H31 | 174.9° | 174.5° |
| O30 | C28 | C20 | H32 | 174.7° | 180.0° |
| C17 | C19 | O20 | C18 | 121.2° | 119.9° |
| C17 | C19 | O20 | H4 | 118.6° | 120.2° |
| C17 | C19 | O20 | C21 | 160.7° | 61.2° |
| C17 | C19 | C18 | H4 | 121.1° | 120.1° |
| C17 | C19 | C18 | N17 | 174.4° | 63.1° |
| C17 | C19 | C18 | H5 | 54.7° | 56.9° |
| C17 | C19 | C18 | H6 | 66.0° | 176.9° |
| C19 | C17 | H19 | H20 | 120.0° | 120.1° |
| C19 | C17 | H19 | H21 | 120.0° | 120.0° |
| C19 | C17 | H20 | H21 | 120.0° | 120.0° |
| C28 | N27 | C14 | H31 | 180.0° | 179.9° |
| C28 | N27 | C14 | C13 | 24.9° | 34.6° |
| C28 | N27 | C14 | C15 | 145.2° | 145.4° |
| N27 | C28 | C20 | H32 | 6.8° | 0.1° |
| C19 | O20 | C21 | C24 | 146.8° | 178.6° |
| O20 | C19 | C18 | H4 | 121.1° | 120.0° |
| C19 | O20 | C21 | C22 | 20.6° | 58.7° |
| O20 | C19 | C18 | N17 | 67.8° | 56.8° |
| C19 | O20 | C21 | H3 | 98.0° | 61.3° |
| O20 | C19 | C18 | H5 | 172.5° | 176.8° |
| O20 | C19 | C18 | H6 | 51.8° | 63.2° |
| O20 | C19 | C17 | H19 | 180.0° | 60.0° |
| O20 | C19 | C17 | H20 | 60.0° | 180.0° |
| O20 | C19 | C17 | H21 | 60.0° | 60.0° |
| O20 | C21 | C24 | C22 | 125.6° | 119.8° |
| O20 | C21 | C24 | H3 | 115.9° | 120.1° |
| C21 | O20 | C19 | C18 | 39.5° | 58.6° |
| O20 | C21 | C22 | H3 | 119.2° | 120.0° |
| O20 | C21 | C22 | N17 | 55.3° | 56.8° |
| O20 | C21 | C22 | H1 | 175.3° | 63.1° |
| O20 | C21 | C22 | H2 | 64.8° | 176.8° |
| C21 | O20 | C19 | H4 | 80.7° | 178.6° |
| O20 | C21 | C24 | H22 | 180.0° | 179.8° |
| O20 | C21 | C24 | H23 | 60.0° | 60.2° |
| O20 | C21 | C24 | H24 | 60.0° | 59.8° |
| C24 | C21 | C22 | H3 | 118.5° | 120.0° |
| C24 | C21 | C22 | N17 | 177.6° | 176.8° |
| C24 | C21 | C22 | H1 | 62.4° | 56.9° |
| C24 | C21 | C22 | H2 | 57.5° | 63.2° |
| C21 | C24 | H22 | H23 | 120.0° | 119.9° |
| C21 | C24 | H22 | H24 | 120.0° | 120.1° |
| C21 | C24 | H23 | H24 | 120.0° | 120.0° |
| C19 | C18 | N17 | H5 | 119.7° | 120.0° |
| C19 | C18 | N17 | H6 | 119.7° | 120.0° |
| C19 | C18 | N17 | C22 | 31.8° | 58.6° |
| C19 | C18 | N17 | C5 | 149.8° | 177.6° |
| C19 | C18 | H5 | H6 | 121.0° | 120.1° |
| C18 | C19 | C17 | H19 | 60.6° | 59.8° |
| C18 | C19 | C17 | H20 | 179.4° | 60.2° |
| C18 | C19 | C17 | H21 | 59.4° | 179.8° |
| C21 | C22 | N17 | C18 | 25.6° | 58.5° |
| C21 | C22 | N17 | H1 | 120.0° | 119.8° |
| C21 | C22 | N17 | H2 | 120.1° | 120.0° |
| C21 | C22 | N17 | C5 | 152.9° | 177.6° |
| C21 | C22 | H1 | H2 | 119.9° | 120.2° |
| C22 | C21 | C24 | H22 | 54.5° | 60.0° |
| C22 | C21 | C24 | H23 | 174.5° | 179.9° |
| C22 | C21 | C24 | H24 | 65.5° | 60.1° |
| N27 | C14 | C13 | C15 | 170.3° | 180.0° |
| N27 | C14 | C13 | C12 | 171.7° | 179.8° |
| N27 | C14 | C15 | C16 | 174.2° | 180.0° |
| N27 | C14 | C15 | H16 | 5.8° | 0.1° |
| N27 | C14 | C13 | H17 | 8.3° | 0.1° |
| C14 | C13 | C12 | H17 | 180.0° | 179.9° |
| C14 | C13 | C12 | C11 | 0.7° | 0.5° |
| C13 | C14 | C15 | C16 | 3.2° | 0.1° |
| C13 | C14 | C15 | H16 | 176.8° | 180.0° |
| C14 | C13 | C12 | H18 | 179.2° | 180.0° |
| C13 | C14 | N27 | H31 | 155.1° | 145.3° |
| C12 | C13 | C14 | C15 | 1.4° | 0.2° |
| C13 | C12 | C11 | H18 | 180.0° | 179.5° |
| C13 | C12 | C11 | C16 | 1.1° | 0.5° |
| C13 | C12 | C11 | C10 | 178.9° | 179.8° |
| C18 | N17 | C22 | C5 | 178.5° | 123.8° |
| C18 | N17 | C5 | C4 | 47.4° | 81.9° |
| C18 | N17 | C5 | N6 | 131.7° | 97.8° |
| C18 | N17 | C22 | H1 | 145.6° | 61.3° |
| C18 | N17 | C22 | H2 | 94.5° | 178.6° |
| N17 | C18 | C19 | H4 | 53.3° | 176.8° |
| N17 | C18 | H5 | H6 | 120.9° | 120.1° |
| C14 | C15 | C16 | H16 | 180.0° | 179.9° |
| C14 | C15 | C16 | C11 | 3.0° | 0.0° |
| C14 | C15 | C16 | H15 | 177.0° | 180.0° |
| C15 | C14 | C13 | H17 | 178.6° | 180.0° |
| C15 | C14 | N27 | H31 | 34.8° | 34.7° |
| C22 | N17 | C5 | C4 | 134.2° | 154.4° |
| C22 | N17 | C5 | N6 | 46.7° | 25.9° |
| N17 | C22 | H1 | H2 | 119.9° | 120.1° |
| N17 | C22 | C21 | H3 | 63.9° | 63.2° |
| C22 | N17 | C18 | H5 | 151.4° | 178.6° |
| C22 | N17 | C18 | H6 | 87.9° | 61.4° |
| C12 | C11 | C16 | C15 | 0.7° | 0.3° |
| C12 | C11 | C16 | C10 | 180.0° | 179.7° |
| C12 | C11 | C10 | C9 | 73.1° | 90.3° |
| C12 | C11 | C10 | H13 | 47.4° | 149.7° |
| C12 | C11 | C10 | H14 | 166.5° | 29.7° |
| C12 | C11 | C16 | H15 | 179.3° | 179.7° |
| C11 | C12 | C13 | H17 | 179.3° | 179.7° |
| N17 | C5 | C4 | C8 | 1.1° | 0.3° |
| N17 | C5 | C4 | N6 | 179.0° | 179.7° |
| N17 | C5 | C4 | C3 | 178.4° | 179.8° |
| N17 | C5 | N6 | C7 | 177.5° | 179.7° |
| C5 | N17 | C22 | H1 | 32.9° | 62.5° |
| C5 | N17 | C22 | H2 | 87.0° | 57.6° |
| C5 | N17 | C18 | H5 | 30.1° | 57.6° |
| C5 | N17 | C18 | H6 | 90.5° | 62.5° |
| C15 | C16 | C11 | H15 | 180.0° | 180.0° |
| C15 | C16 | C11 | C10 | 179.3° | 180.0° |
| C16 | C11 | C10 | C9 | 106.9° | 90.0° |
| C16 | C11 | C10 | H13 | 132.6° | 30.0° |
| C16 | C11 | C10 | H14 | 13.5° | 150.0° |
| C11 | C16 | C15 | H16 | 177.0° | 179.9° |
| C16 | C11 | C12 | H18 | 178.9° | 180.0° |
| C11 | C10 | C9 | H13 | 120.5° | 120.0° |
| C11 | C10 | C9 | H14 | 120.5° | 120.0° |
| C11 | C10 | C9 | S8 | 173.4° | 180.0° |
| C11 | C10 | C9 | H11 | 53.5° | 60.0° |
| C11 | C10 | C9 | H12 | 66.6° | 60.0° |
| C11 | C10 | H13 | H14 | 118.6° | 120.0° |
| C10 | C11 | C16 | H15 | 0.7° | 0.0° |
| C10 | C11 | C12 | H18 | 1.1° | 0.3° |
| C4 | C8 | O8 | H7 | 120.7° | 120.2° |
| C4 | C8 | O8 | H8 | 120.7° | 120.2° |
| C8 | C4 | C5 | C3 | 179.5° | 180.0° |
| C8 | C4 | C5 | N6 | 179.9° | 179.5° |
| C4 | C8 | O8 | C30 | 55.1° | 51.7° |
| C8 | C4 | C3 | C2 | 180.0° | 179.1° |
| C8 | C4 | C3 | C6 | 1.3° | 0.3° |
| C4 | C8 | H7 | H8 | 118.0° | 119.6° |
| O8 | C8 | C4 | C5 | 153.9° | 164.0° |
| O8 | C8 | C4 | C3 | 26.5° | 16.0° |
| C8 | O8 | C30 | C26 | 69.2° | 169.7° |
| C8 | O8 | C30 | C25 | 175.8° | 49.4° |
| C8 | O8 | C30 | C6 | 55.0° | 70.3° |
| O8 | C8 | H7 | H8 | 117.9° | 119.7° |
| C4 | C5 | N6 | C7 | 1.6° | 0.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.8° |
| C5 | C4 | C3 | C6 | 179.1° | 179.7° |
| C5 | C4 | C8 | H7 | 33.3° | 75.8° |
| C5 | C4 | C8 | H8 | 85.4° | 43.7° |
| N6 | C5 | C4 | C3 | 0.6° | 0.5° |
| C5 | N6 | C7 | S8 | 179.4° | 179.8° |
| C5 | N6 | C7 | C2 | 2.5° | 0.1° |
| C10 | C9 | S8 | H11 | 120.0° | 120.0° |
| C10 | C9 | S8 | H12 | 120.0° | 120.0° |
| C10 | C9 | S8 | C7 | 85.2° | 180.0° |
| C10 | C9 | H11 | H12 | 120.1° | 120.0° |
| C9 | C10 | H13 | H14 | 118.6° | 120.0° |
| C4 | C3 | C6 | C30 | 1.8° | 16.6° |
| C4 | C3 | C2 | C7 | 1.3° | 0.7° |
| C4 | C3 | C2 | C6 | 178.7° | 179.5° |
| C4 | C3 | C2 | C1 | 179.6° | 179.6° |
| C3 | C4 | C8 | H7 | 147.2° | 104.2° |
| C3 | C4 | C8 | H8 | 94.1° | 136.3° |
| C4 | C3 | C6 | H9 | 119.1° | 136.8° |
| C4 | C3 | C6 | H10 | 122.6° | 103.3° |
| N6 | C7 | S8 | C9 | 8.3° | 0.0° |
| N6 | C7 | S8 | C2 | 176.7° | 180.0° |
| N6 | C7 | C2 | C3 | 2.2° | 0.2° |
| N6 | C7 | C2 | C1 | 179.5° | 179.9° |
| O8 | C30 | C26 | C25 | 112.2° | 120.4° |
| O8 | C30 | C26 | C6 | 125.0° | 119.1° |
| O8 | C30 | C25 | C6 | 121.5° | 119.0° |
| O8 | C30 | C6 | C3 | 27.0° | 48.6° |
| C30 | O8 | C8 | H7 | 175.8° | 68.5° |
| C30 | O8 | C8 | H8 | 65.6° | 171.9° |
| O8 | C30 | C6 | H9 | 93.8° | 168.9° |
| O8 | C30 | C6 | H10 | 147.9° | 71.1° |
| O8 | C30 | C25 | H25 | 180.0° | 60.0° |
| O8 | C30 | C25 | H26 | 60.0° | 180.0° |
| O8 | C30 | C25 | H27 | 60.0° | 60.0° |
| O8 | C30 | C26 | H28 | 180.0° | 60.0° |
| O8 | C30 | C26 | H29 | 60.0° | 180.0° |
| O8 | C30 | C26 | H30 | 60.0° | 60.0° |
| C9 | S8 | C7 | C2 | 168.4° | 180.0° |
| S8 | C9 | H11 | H12 | 120.1° | 120.0° |
| S8 | C9 | C10 | H13 | 66.1° | 60.0° |
| S8 | C9 | C10 | H14 | 53.0° | 60.1° |
| C26 | C30 | C25 | C6 | 122.6° | 120.6° |
| C26 | C30 | C6 | C3 | 96.1° | 168.5° |
| C26 | C30 | C6 | H9 | 143.0° | 71.3° |
| C26 | C30 | C6 | H10 | 24.8° | 48.7° |
| C26 | C30 | C25 | H25 | 64.1° | 60.3° |
| C26 | C30 | C25 | H26 | 175.9° | 59.6° |
| C26 | C30 | C25 | H27 | 55.9° | 179.6° |
| C30 | C26 | H28 | H29 | 120.0° | 120.0° |
| C30 | C26 | H28 | H30 | 120.0° | 120.0° |
| C30 | C26 | H29 | H30 | 120.0° | 120.0° |
| C25 | C30 | C6 | C3 | 143.2° | 71.0° |
| C25 | C30 | C6 | H9 | 22.3° | 49.2° |
| C25 | C30 | C6 | H10 | 96.0° | 169.2° |
| C30 | C25 | H25 | H26 | 120.0° | 120.0° |
| C30 | C25 | H25 | H27 | 120.0° | 120.0° |
| C30 | C25 | H26 | H27 | 120.0° | 120.0° |
| C25 | C30 | C26 | H28 | 67.8° | 179.6° |
| C25 | C30 | C26 | H29 | 52.2° | 59.6° |
| C25 | C30 | C26 | H30 | 172.2° | 60.3° |
| C30 | C6 | C3 | C2 | 179.6° | 162.9° |
| C30 | C6 | C3 | H9 | 120.9° | 120.2° |
| C30 | C6 | C3 | H10 | 120.9° | 119.9° |
| C30 | C6 | H9 | H10 | 117.3° | 120.0° |
| C6 | C30 | C25 | H25 | 58.5° | 179.0° |
| C6 | C30 | C25 | H26 | 61.5° | 61.0° |
| C6 | C30 | C25 | H27 | 178.5° | 59.0° |
| C6 | C30 | C26 | H28 | 55.0° | 59.1° |
| C6 | C30 | C26 | H29 | 175.0° | 60.9° |
| C6 | C30 | C26 | H30 | 65.0° | 179.2° |
| S8 | C7 | C2 | C3 | 178.8° | 179.8° |
| S8 | C7 | C2 | C1 | 2.9° | 0.1° |
| C7 | S8 | C9 | H11 | 154.8° | 60.0° |
| C7 | S8 | C9 | H12 | 34.7° | 60.0° |
| C7 | C2 | C3 | C1 | 178.3° | 179.7° |
| C7 | C2 | C3 | C6 | 179.9° | 179.8° |
| C7 | C2 | C1 | N1 | 9.5° | 45.8° |
| C3 | C2 | C1 | N1 | 168.8° | 134.5° |
| C2 | C3 | C6 | H9 | 59.5° | 42.7° |
| C2 | C3 | C6 | H10 | 58.7° | 77.2° |
| C6 | C3 | C2 | C1 | 1.8° | 0.1° |
| C3 | C6 | H9 | H10 | 117.3° | 119.6° |
| H1 | C22 | C21 | H3 | 56.1° | 177.0° |
| H2 | C22 | C21 | H3 | 176.0° | 56.8° |
| H3 | C21 | C24 | H22 | 64.0° | 60.0° |
| H3 | C21 | C24 | H23 | 56.0° | 59.9° |
| H3 | C21 | C24 | H24 | 176.0° | 179.9° |
| H4 | C19 | C18 | H5 | 66.4° | 63.3° |
| H4 | C19 | C18 | H6 | 173.0° | 56.8° |
| H4 | C19 | C17 | H19 | 60.5° | 179.9° |
| H4 | C19 | C17 | H20 | 59.5° | 59.9° |
| H4 | C19 | C17 | H21 | 179.5° | 60.1° |
| H11 | C9 | C10 | H13 | 173.9° | 179.9° |
| H11 | C9 | C10 | H14 | 67.0° | 60.0° |
| H12 | C9 | C10 | H13 | 53.8° | 60.0° |
| H12 | C9 | C10 | H14 | 172.9° | 179.9° |
| H15 | C16 | C15 | H16 | 3.0° | 0.1° |
| H17 | C13 | C12 | H18 | 0.7° | 0.2° |
| H19 | C17 | H20 | H21 | 120.0° | 119.9° |
| H22 | C24 | H23 | H24 | 120.0° | 120.0° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
| H28 | C26 | H29 | H30 | 120.0° | 120.1° |
| H32 | C20 | C23 | H33 | 0.0° | 180.0° |
| H32 | C20 | C23 | H34 | 180.0° | 0.1° |
