Y2S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F35 | C32 | sing | 1.40Å | 1.39Å | |
| F34 | C32 | sing | 1.40Å | 1.40Å | |
| C32 | F33 | sing | 1.40Å | 1.39Å | |
| C32 | C28 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C26 | C24 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | doub | 1.33Å | 1.32Å | |
| C22 | C20 | sing | 1.48Å | 1.48Å | |
| O36 | C19 | sing | 1.36Å | 1.36Å | |
| O36 | C37 | sing | 1.43Å | 1.43Å | |
| C20 | C19 | doub | 1.41Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| O15 | C14 | doub | 1.22Å | 1.22Å | |
| C18 | N17 | doub | 1.31Å | 1.32Å | Aromatic |
| C16 | N17 | sing | 1.33Å | 1.33Å | Aromatic |
| C16 | C14 | sing | 1.48Å | 1.48Å | |
| C11 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | N13 | sing | 1.35Å | 1.35Å | |
| O4 | C3 | doub | 1.21Å | 1.21Å | |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C12 | sing | 1.51Å | 1.50Å | |
| C5 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | N2 | sing | 1.35Å | 1.35Å | |
| N13 | C12 | sing | 1.47Å | 1.47Å | |
| N2 | C1 | sing | 1.46Å | 1.46Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| C23 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C28 | H23 | sing | 1.09Å | 1.10Å | |
| C30 | H24 | sing | 1.09Å | 1.10Å | |
| C30 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C31 | H27 | sing | 1.09Å | 1.10Å | |
| C37 | H28 | sing | 1.09Å | 1.10Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F35 | C32 | F34 | 108.1° | 109.5° |
| F35 | C32 | F33 | 107.5° | 109.5° |
| F35 | C32 | C28 | 110.4° | 109.5° |
| F34 | C32 | F33 | 111.2° | 109.5° |
| F34 | C32 | C28 | 108.6° | 109.5° |
| F33 | C32 | C28 | 111.0° | 109.5° |
| C32 | C28 | C27 | 110.5° | 109.5° |
| C32 | C28 | C30 | 112.2° | 109.5° |
| C32 | C28 | H23 | 109.4° | 109.4° |
| C27 | C28 | C30 | 106.0° | 109.5° |
| C28 | C27 | C26 | 106.0° | 109.5° |
| C28 | C27 | H21 | 110.3° | 109.4° |
| C28 | C27 | H22 | 110.3° | 109.5° |
| C27 | C28 | H23 | 109.4° | 109.4° |
| C28 | C30 | C31 | 108.2° | 109.5° |
| C30 | C28 | H23 | 109.3° | 109.5° |
| C28 | C30 | H24 | 109.8° | 109.4° |
| C28 | C30 | H25 | 109.8° | 109.5° |
| C27 | C26 | C24 | 108.7° | 109.5° |
| C27 | C26 | H19 | 109.7° | 109.5° |
| C27 | C26 | H20 | 109.7° | 109.5° |
| C26 | C27 | H21 | 110.3° | 109.5° |
| C26 | C27 | H22 | 110.3° | 109.5° |
| C26 | C24 | C31 | 107.7° | 109.5° |
| C26 | C24 | C23 | 107.9° | 109.5° |
| C26 | C24 | H18 | 108.8° | 109.4° |
| C24 | C26 | H19 | 109.7° | 109.5° |
| C24 | C26 | H20 | 109.7° | 109.4° |
| C30 | C31 | C24 | 107.5° | 109.5° |
| C31 | C30 | H24 | 109.8° | 109.5° |
| C31 | C30 | H25 | 109.8° | 109.5° |
| C30 | C31 | H26 | 110.0° | 109.4° |
| C30 | C31 | H27 | 110.0° | 109.5° |
| C31 | C24 | C23 | 114.1° | 109.5° |
| C31 | C24 | H18 | 109.0° | 109.5° |
| C24 | C31 | H26 | 109.9° | 109.5° |
| C24 | C31 | H27 | 109.9° | 109.5° |
| C24 | C23 | C22 | 123.2° | 120.0° |
| C24 | C23 | H17 | 118.4° | 120.0° |
| C23 | C24 | H18 | 109.2° | 109.4° |
| C23 | C22 | C20 | 117.9° | 120.0° |
| C23 | C22 | H16 | 121.0° | 120.0° |
| C22 | C23 | H17 | 118.4° | 120.0° |
| C22 | C20 | C19 | 122.0° | 120.9° |
| C22 | C20 | C21 | 120.0° | 120.9° |
| C20 | C22 | H16 | 121.0° | 120.0° |
| C19 | O36 | C37 | 118.4° | 117.0° |
| O36 | C19 | C20 | 120.1° | 120.5° |
| O36 | C19 | C18 | 121.1° | 120.5° |
| O36 | C37 | H28 | 109.5° | 109.5° |
| O36 | C37 | H29 | 109.5° | 109.5° |
| O36 | C37 | H30 | 109.5° | 109.5° |
| C19 | C20 | C21 | 118.1° | 118.2° |
| C20 | C19 | C18 | 118.8° | 119.1° |
| C20 | C21 | C16 | 119.5° | 119.0° |
| C20 | C21 | H15 | 120.3° | 120.5° |
| C19 | C18 | N17 | 121.2° | 121.0° |
| C19 | C18 | H14 | 119.4° | 119.5° |
| C21 | C16 | N17 | 120.6° | 120.8° |
| C21 | C16 | C14 | 118.4° | 119.6° |
| C16 | C21 | H15 | 120.3° | 120.5° |
| C11 | C10 | C9 | 119.7° | 120.0° |
| C10 | C11 | C6 | 121.1° | 120.0° |
| C10 | C11 | H3 | 119.4° | 120.0° |
| C11 | C10 | H6 | 120.1° | 120.0° |
| C10 | C9 | C8 | 119.7° | 120.0° |
| C10 | C9 | H5 | 120.1° | 120.0° |
| C9 | C10 | H6 | 120.2° | 120.0° |
| O15 | C14 | C16 | 119.7° | 120.0° |
| O15 | C14 | N13 | 118.7° | 120.0° |
| C18 | N17 | C16 | 121.8° | 122.0° |
| N17 | C18 | H14 | 119.4° | 119.5° |
| N17 | C16 | C14 | 120.9° | 119.6° |
| C16 | C14 | N13 | 121.6° | 120.0° |
| C11 | C6 | C5 | 116.9° | 120.0° |
| C11 | C6 | C7 | 119.4° | 120.0° |
| C6 | C11 | H3 | 119.5° | 120.0° |
| C9 | C8 | C7 | 120.8° | 120.0° |
| C9 | C8 | C12 | 118.4° | 120.0° |
| C8 | C9 | H5 | 120.2° | 120.0° |
| C14 | N13 | C12 | 118.8° | 120.0° |
| C14 | N13 | H13 | 120.6° | 120.0° |
| O4 | C3 | C5 | 118.3° | 120.0° |
| O4 | C3 | N2 | 120.3° | 120.0° |
| C5 | C6 | C7 | 123.5° | 120.1° |
| C6 | C5 | C3 | 118.3° | 109.5° |
| C6 | C5 | H1 | 107.2° | 109.5° |
| C6 | C5 | H2 | 107.2° | 109.5° |
| C6 | C7 | C8 | 119.3° | 120.0° |
| C6 | C7 | H4 | 120.4° | 119.9° |
| C7 | C8 | C12 | 120.9° | 120.0° |
| C8 | C7 | H4 | 120.3° | 120.0° |
| C8 | C12 | N13 | 111.3° | 109.5° |
| C8 | C12 | H7 | 109.0° | 109.5° |
| C8 | C12 | H8 | 109.0° | 109.5° |
| C5 | C3 | N2 | 121.4° | 120.0° |
| C3 | C5 | H1 | 107.2° | 109.5° |
| C3 | C5 | H2 | 107.2° | 109.4° |
| C3 | N2 | C1 | 121.5° | 120.0° |
| C3 | N2 | H9 | 119.3° | 119.9° |
| N13 | C12 | H7 | 109.0° | 109.5° |
| N13 | C12 | H8 | 109.0° | 109.5° |
| C12 | N13 | H13 | 120.6° | 120.0° |
| C1 | N2 | H9 | 119.2° | 120.0° |
| N2 | C1 | H10 | 109.5° | 109.5° |
| N2 | C1 | H11 | 109.5° | 109.5° |
| N2 | C1 | H12 | 109.5° | 109.5° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H7 | C12 | H8 | 109.5° | 109.5° |
| H10 | C1 | H11 | 109.4° | 109.4° |
| H10 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H12 | 109.4° | 109.5° |
| H19 | C26 | H20 | 109.5° | 109.5° |
| H21 | C27 | H22 | 109.5° | 109.5° |
| H24 | C30 | H25 | 109.5° | 109.4° |
| H26 | C31 | H27 | 109.5° | 109.5° |
| H28 | C37 | H29 | 109.5° | 109.4° |
| H28 | C37 | H30 | 109.5° | 109.4° |
| H29 | C37 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F35 | C32 | F34 | F33 | 117.7° | 120.0° |
| F35 | C32 | F34 | C28 | 119.8° | 120.0° |
| F35 | C32 | F33 | C28 | 120.9° | 120.0° |
| F35 | C32 | C28 | C27 | 44.9° | 60.0° |
| F35 | C32 | C28 | C30 | 162.9° | 60.0° |
| F35 | C32 | C28 | H23 | 75.6° | 180.0° |
| F34 | C32 | F33 | C28 | 121.1° | 120.0° |
| F34 | C32 | C28 | C27 | 163.3° | 180.0° |
| F34 | C32 | C28 | C30 | 78.7° | 60.0° |
| F34 | C32 | C28 | H23 | 42.8° | 60.0° |
| F33 | C32 | C28 | C27 | 74.2° | 60.0° |
| F33 | C32 | C28 | C30 | 43.9° | 179.9° |
| F33 | C32 | C28 | H23 | 165.3° | 60.0° |
| C32 | C28 | C27 | C30 | 121.7° | 120.1° |
| C32 | C28 | C27 | H23 | 120.5° | 120.0° |
| C32 | C28 | C30 | H23 | 121.5° | 120.0° |
| C32 | C28 | C27 | C26 | 171.2° | 180.0° |
| C32 | C28 | C30 | C31 | 172.4° | 180.0° |
| C32 | C28 | C27 | H21 | 51.7° | 60.0° |
| C32 | C28 | C27 | H22 | 69.3° | 60.0° |
| C32 | C28 | C30 | H24 | 67.8° | 60.0° |
| C32 | C28 | C30 | H25 | 52.6° | 59.9° |
| C27 | C28 | C30 | H23 | 117.8° | 120.0° |
| C28 | C27 | C26 | H21 | 119.4° | 120.0° |
| C28 | C27 | C26 | H22 | 119.5° | 120.0° |
| C28 | C27 | C26 | C24 | 66.2° | 59.9° |
| C27 | C28 | C30 | C31 | 66.9° | 59.9° |
| C28 | C27 | C26 | H19 | 53.7° | 180.0° |
| C28 | C27 | C26 | H20 | 173.9° | 60.0° |
| C28 | C27 | H21 | H22 | 121.6° | 119.9° |
| C27 | C28 | C30 | H24 | 52.9° | 60.1° |
| C27 | C28 | C30 | H25 | 173.3° | 180.0° |
| C30 | C28 | C27 | C26 | 67.1° | 59.9° |
| C28 | C30 | C31 | H24 | 119.8° | 120.0° |
| C28 | C30 | C31 | H25 | 119.8° | 120.0° |
| C28 | C30 | C31 | C24 | 64.0° | 60.0° |
| C30 | C28 | C27 | H21 | 173.5° | 60.1° |
| C30 | C28 | C27 | H22 | 52.4° | 180.0° |
| C28 | C30 | H24 | H25 | 120.6° | 119.9° |
| C28 | C30 | C31 | H26 | 176.3° | 60.0° |
| C28 | C30 | C31 | H27 | 55.7° | 180.0° |
| C27 | C26 | C24 | H19 | 119.9° | 120.1° |
| C27 | C26 | C24 | H20 | 119.9° | 120.0° |
| C27 | C26 | C24 | C31 | 63.4° | 59.9° |
| C27 | C26 | C24 | C23 | 173.0° | 180.0° |
| C27 | C26 | C24 | H18 | 54.6° | 60.1° |
| C27 | C26 | H19 | H20 | 120.4° | 120.1° |
| C26 | C27 | H21 | H22 | 121.6° | 120.1° |
| C26 | C27 | C28 | H23 | 50.7° | 60.0° |
| C26 | C24 | C31 | C30 | 61.1° | 60.0° |
| C26 | C24 | C31 | C23 | 119.7° | 120.0° |
| C26 | C24 | C31 | H18 | 117.9° | 120.0° |
| C26 | C24 | C23 | H18 | 118.1° | 119.9° |
| C26 | C24 | C23 | C22 | 86.6° | 120.0° |
| C26 | C24 | C23 | H17 | 93.4° | 60.1° |
| C24 | C26 | H19 | H20 | 120.4° | 119.9° |
| C24 | C26 | C27 | H21 | 174.4° | 60.0° |
| C24 | C26 | C27 | H22 | 53.3° | 179.9° |
| C26 | C24 | C31 | H26 | 179.2° | 60.0° |
| C26 | C24 | C31 | H27 | 58.6° | 180.0° |
| C30 | C31 | C24 | H26 | 119.7° | 120.0° |
| C30 | C31 | C24 | H27 | 119.7° | 120.0° |
| C30 | C31 | C24 | C23 | 179.2° | 180.0° |
| C30 | C31 | C24 | H18 | 56.8° | 60.0° |
| C31 | C30 | C28 | H23 | 50.9° | 60.0° |
| C31 | C30 | H24 | H25 | 120.6° | 120.0° |
| C30 | C31 | H26 | H27 | 120.9° | 120.0° |
| C31 | C24 | C23 | H18 | 122.2° | 120.1° |
| C31 | C24 | C23 | C22 | 33.1° | 120.0° |
| C31 | C24 | C23 | H17 | 147.0° | 60.0° |
| C31 | C24 | C26 | H19 | 56.5° | 180.0° |
| C31 | C24 | C26 | H20 | 176.7° | 60.0° |
| C24 | C31 | C30 | H24 | 55.8° | 60.0° |
| C24 | C31 | C30 | H25 | 176.2° | 180.0° |
| C24 | C31 | H26 | H27 | 120.9° | 120.0° |
| C24 | C23 | C22 | H17 | 180.0° | 179.9° |
| C24 | C23 | C22 | C20 | 179.0° | 180.0° |
| C24 | C23 | C22 | H16 | 1.0° | 0.1° |
| C23 | C24 | C26 | H19 | 67.2° | 59.9° |
| C23 | C24 | C26 | H20 | 53.1° | 60.0° |
| C23 | C24 | C31 | H26 | 59.5° | 60.0° |
| C23 | C24 | C31 | H27 | 61.1° | 60.0° |
| C23 | C22 | C20 | H16 | 180.0° | 180.0° |
| C23 | C22 | C20 | C19 | 176.9° | 180.0° |
| C23 | C22 | C20 | C21 | 4.7° | 0.3° |
| C22 | C23 | C24 | H18 | 155.3° | 0.1° |
| C22 | C20 | C19 | O36 | 1.5° | 0.0° |
| C22 | C20 | C19 | C21 | 178.4° | 179.7° |
| C22 | C20 | C19 | C18 | 179.3° | 180.0° |
| C22 | C20 | C21 | C16 | 179.2° | 179.7° |
| C22 | C20 | C21 | H15 | 0.8° | 0.3° |
| C20 | C22 | C23 | H17 | 1.0° | 0.0° |
| O36 | C19 | C20 | C18 | 179.2° | 180.0° |
| O36 | C19 | C20 | C21 | 179.9° | 179.7° |
| O36 | C19 | C18 | N17 | 179.6° | 180.0° |
| O36 | C19 | C18 | H14 | 0.4° | 0.0° |
| C19 | O36 | C37 | H28 | 180.0° | 60.0° |
| C19 | O36 | C37 | H29 | 60.0° | 60.0° |
| C19 | O36 | C37 | H30 | 60.0° | 180.0° |
| C37 | O36 | C19 | C20 | 166.6° | 180.0° |
| C37 | O36 | C19 | C18 | 12.6° | 0.0° |
| O36 | C37 | H28 | H29 | 120.0° | 120.0° |
| O36 | C37 | H28 | H30 | 120.0° | 120.0° |
| O36 | C37 | H29 | H30 | 120.0° | 120.0° |
| C19 | C20 | C21 | C16 | 0.8° | 0.6° |
| C20 | C19 | C18 | N17 | 0.4° | 0.0° |
| C20 | C19 | C18 | H14 | 179.6° | 180.0° |
| C19 | C20 | C21 | H15 | 179.2° | 180.0° |
| C19 | C20 | C22 | H16 | 3.1° | 0.0° |
| C21 | C20 | C19 | C18 | 0.9° | 0.3° |
| C20 | C21 | C16 | H15 | 180.0° | 179.5° |
| C20 | C21 | C16 | N17 | 0.1° | 0.6° |
| C20 | C21 | C16 | C14 | 179.1° | 179.7° |
| C21 | C20 | C22 | H16 | 175.3° | 179.7° |
| C19 | C18 | N17 | H14 | 180.0° | 180.0° |
| C19 | C18 | N17 | C16 | 0.3° | 0.0° |
| C21 | C16 | C14 | O15 | 16.6° | 0.5° |
| C21 | C16 | N17 | C18 | 0.4° | 0.4° |
| C21 | C16 | N17 | C14 | 179.2° | 179.7° |
| C21 | C16 | C14 | N13 | 162.8° | 179.7° |
| C11 | C10 | C9 | H6 | 180.0° | 180.0° |
| C10 | C11 | C6 | H3 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.0° | 0.3° |
| C10 | C11 | C6 | C5 | 177.7° | 179.9° |
| C10 | C11 | C6 | C7 | 1.5° | 0.4° |
| C11 | C10 | C9 | H5 | 180.0° | 180.0° |
| C9 | C10 | C11 | C6 | 0.6° | 0.0° |
| C10 | C9 | C8 | H5 | 180.0° | 179.7° |
| C10 | C9 | C8 | C7 | 0.2° | 0.2° |
| C10 | C9 | C8 | C12 | 180.0° | 179.7° |
| C9 | C10 | C11 | H3 | 179.4° | 179.9° |
| O15 | C14 | C16 | N17 | 164.3° | 179.8° |
| O15 | C14 | C16 | N13 | 179.3° | 179.8° |
| O15 | C14 | N13 | C12 | 0.5° | 0.1° |
| O15 | C14 | N13 | H13 | 179.5° | 180.0° |
| C18 | N17 | C16 | C14 | 179.6° | 180.0° |
| N17 | C16 | C14 | N13 | 16.4° | 0.0° |
| C16 | N17 | C18 | H14 | 179.7° | 179.9° |
| N17 | C16 | C21 | H15 | 179.9° | 179.9° |
| C16 | C14 | N13 | C12 | 178.8° | 179.7° |
| C16 | C14 | N13 | H13 | 1.2° | 0.2° |
| C14 | C16 | C21 | H15 | 0.9° | 0.3° |
| C11 | C6 | C5 | C7 | 176.0° | 179.7° |
| C11 | C6 | C7 | C8 | 1.7° | 0.4° |
| C11 | C6 | C5 | C3 | 134.1° | 89.8° |
| C11 | C6 | C5 | H1 | 104.6° | 30.3° |
| C11 | C6 | C5 | H2 | 12.9° | 150.3° |
| C11 | C6 | C7 | H4 | 178.2° | 179.7° |
| C6 | C11 | C10 | H6 | 179.4° | 180.0° |
| C9 | C8 | C7 | C6 | 1.1° | 0.1° |
| C9 | C8 | C7 | C12 | 179.7° | 179.9° |
| C9 | C8 | C12 | N13 | 3.3° | 90.0° |
| C9 | C8 | C7 | H4 | 178.9° | 180.0° |
| C8 | C9 | C10 | H6 | 180.0° | 179.7° |
| C9 | C8 | C12 | H7 | 123.6° | 30.0° |
| C9 | C8 | C12 | H8 | 117.0° | 150.0° |
| C14 | N13 | C12 | C8 | 84.2° | 180.0° |
| C14 | N13 | C12 | H13 | 180.0° | 180.0° |
| C14 | N13 | C12 | H7 | 155.6° | 60.1° |
| C14 | N13 | C12 | H8 | 36.1° | 60.0° |
| O4 | C3 | C5 | C6 | 82.6° | 0.1° |
| O4 | C3 | C5 | N2 | 177.4° | 179.9° |
| O4 | C3 | N2 | C1 | 179.2° | 0.0° |
| O4 | C3 | C5 | H1 | 156.2° | 120.0° |
| O4 | C3 | C5 | H2 | 38.7° | 120.0° |
| O4 | C3 | N2 | H9 | 0.8° | 180.0° |
| C5 | C6 | C7 | C8 | 177.6° | 179.9° |
| C6 | C5 | C3 | H1 | 121.3° | 120.0° |
| C6 | C5 | C3 | H2 | 121.2° | 120.0° |
| C6 | C5 | C3 | N2 | 100.1° | 180.0° |
| C6 | C5 | H1 | H2 | 116.0° | 120.0° |
| C5 | C6 | C11 | H3 | 2.3° | 0.0° |
| C5 | C6 | C7 | H4 | 2.4° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 179.9° |
| C6 | C7 | C8 | C12 | 179.2° | 180.0° |
| C7 | C6 | C5 | C3 | 49.9° | 90.0° |
| C7 | C6 | C5 | H1 | 71.4° | 150.0° |
| C7 | C6 | C5 | H2 | 171.1° | 29.9° |
| C7 | C6 | C11 | H3 | 178.5° | 179.7° |
| C7 | C8 | C12 | N13 | 176.5° | 90.0° |
| C7 | C8 | C9 | H5 | 179.8° | 179.9° |
| C7 | C8 | C12 | H7 | 56.2° | 150.0° |
| C7 | C8 | C12 | H8 | 63.3° | 30.0° |
| C8 | C12 | N13 | H7 | 120.3° | 120.0° |
| C8 | C12 | N13 | H8 | 120.2° | 120.0° |
| C12 | C8 | C7 | H4 | 0.9° | 0.1° |
| C12 | C8 | C9 | H5 | 0.0° | 0.0° |
| C8 | C12 | H7 | H8 | 119.2° | 120.0° |
| C8 | C12 | N13 | H13 | 95.8° | 0.0° |
| C5 | C3 | N2 | C1 | 1.9° | 179.9° |
| C3 | C5 | H1 | H2 | 116.0° | 120.0° |
| C5 | C3 | N2 | H9 | 178.1° | 0.0° |
| C3 | N2 | C1 | H9 | 180.0° | 180.0° |
| N2 | C3 | C5 | H1 | 21.2° | 60.0° |
| N2 | C3 | C5 | H2 | 138.7° | 60.0° |
| C3 | N2 | C1 | H10 | 180.0° | 60.0° |
| C3 | N2 | C1 | H11 | 60.0° | 59.9° |
| C3 | N2 | C1 | H12 | 60.0° | 180.0° |
| N13 | C12 | H7 | H8 | 119.2° | 120.0° |
| N2 | C1 | H10 | H11 | 120.0° | 120.0° |
| N2 | C1 | H10 | H12 | 120.0° | 120.0° |
| N2 | C1 | H11 | H12 | 120.0° | 120.1° |
| H3 | C11 | C10 | H6 | 0.6° | 0.1° |
| H5 | C9 | C10 | H6 | 0.0° | 0.0° |
| H7 | C12 | N13 | H13 | 24.4° | 120.0° |
| H8 | C12 | N13 | H13 | 143.9° | 120.0° |
| H9 | N2 | C1 | H10 | 0.0° | 120.0° |
| H9 | N2 | C1 | H11 | 120.0° | 120.1° |
| H9 | N2 | C1 | H12 | 120.0° | 0.0° |
| H10 | C1 | H11 | H12 | 120.0° | 120.0° |
| H16 | C22 | C23 | H17 | 179.0° | 180.0° |
| H17 | C23 | C24 | H18 | 24.7° | 180.0° |
| H18 | C24 | C26 | H19 | 174.5° | 60.0° |
| H18 | C24 | C26 | H20 | 65.3° | 180.0° |
| H18 | C24 | C31 | H26 | 62.9° | 180.0° |
| H18 | C24 | C31 | H27 | 176.5° | 60.0° |
| H19 | C26 | C27 | H21 | 65.8° | 60.0° |
| H19 | C26 | C27 | H22 | 173.1° | 60.0° |
| H20 | C26 | C27 | H21 | 54.5° | 179.9° |
| H20 | C26 | C27 | H22 | 66.6° | 60.0° |
| H21 | C27 | C28 | H23 | 68.8° | 179.9° |
| H22 | C27 | C28 | H23 | 170.2° | 60.0° |
| H23 | C28 | C30 | H24 | 170.7° | 180.0° |
| H23 | C28 | C30 | H25 | 68.9° | 60.0° |
| H24 | C30 | C31 | H26 | 63.9° | 180.0° |
| H24 | C30 | C31 | H27 | 175.5° | 60.0° |
| H25 | C30 | C31 | H26 | 56.5° | 60.0° |
| H25 | C30 | C31 | H27 | 64.1° | 60.0° |
| H28 | C37 | H29 | H30 | 120.0° | 120.0° |
