SM9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| N20 | C1 | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| O4 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N5 | C3 | sing | 1.46Å | 1.49Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | N5 | sing | 1.47Å | 1.49Å | |
| S39 | N5 | sing | 1.66Å | 1.76Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| O36 | C7 | sing | 1.43Å | 1.41Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C13 | C8 | doub | 1.38Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C8 | S39 | sing | 1.76Å | 1.83Å | |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | C15 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C14 | H14B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C25 | C16 | sing | 1.54Å | 1.53Å | |
| C22 | C16 | sing | 1.54Å | 1.54Å | |
| C16 | C21 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N20 | C19 | sing | 1.47Å | 1.49Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C21 | N20 | sing | 1.47Å | 1.49Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | C22 | sing | 1.55Å | 1.54Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| N24 | C23 | sing | 1.49Å | 1.47Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C26 | N24 | sing | 1.38Å | 1.37Å | |
| N24 | C25 | sing | 1.48Å | 1.47Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| N31 | C26 | doub | 1.33Å | 1.35Å | Aromatic |
| C27 | C26 | sing | 1.42Å | 1.42Å | Aromatic |
| C28 | C27 | sing | 1.42Å | 1.42Å | Aromatic |
| C27 | C32 | doub | 1.40Å | 1.42Å | Aromatic |
| N29 | C28 | sing | 1.34Å | 1.34Å | Aromatic |
| C35 | C28 | doub | 1.40Å | 1.42Å | Aromatic |
| N29 | C30 | doub | 1.31Å | 1.34Å | Aromatic |
| C30 | N31 | sing | 1.32Å | 1.34Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | C32 | sing | 1.36Å | 1.42Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C34 | sing | 1.36Å | 1.41Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| O36 | C38 | sing | 1.43Å | 1.42Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| C37 | H37B | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| O41 | S39 | doub | 1.42Å | 1.47Å | |
| S39 | O40 | doub | 1.42Å | 1.47Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N20 | 115.6° | 109.4° |
| C2 | C1 | H1 | 107.5° | 109.4° |
| C2 | C1 | H1A | 107.5° | 109.4° |
| C1 | C2 | O4 | 110.0° | 109.5° |
| C1 | C2 | C3 | 108.0° | 109.5° |
| C1 | C2 | H2 | 110.4° | 109.5° |
| N20 | C1 | H1 | 107.5° | 109.5° |
| N20 | C1 | H1A | 107.5° | 109.5° |
| C1 | N20 | C19 | 110.4° | 110.9° |
| C1 | N20 | C21 | 113.7° | 111.0° |
| H1 | C1 | H1A | 111.4° | 109.5° |
| O4 | C2 | C3 | 110.2° | 109.5° |
| O4 | C2 | H2 | 108.2° | 109.5° |
| C2 | O4 | HO4 | 109.5° | 114.0° |
| C3 | C2 | H2 | 110.1° | 109.4° |
| C2 | C3 | N5 | 114.9° | 109.5° |
| C2 | C3 | H3 | 107.7° | 109.4° |
| C2 | C3 | H3A | 107.7° | 109.4° |
| N5 | C3 | H3 | 107.7° | 109.5° |
| N5 | C3 | H3A | 107.7° | 109.5° |
| C3 | N5 | C6 | 114.5° | 120.0° |
| C3 | N5 | S39 | 122.7° | 120.0° |
| H3 | C3 | H3A | 111.2° | 109.5° |
| C6 | N5 | S39 | 122.8° | 120.1° |
| N5 | C6 | C7 | 112.3° | 109.4° |
| N5 | C6 | H6 | 108.5° | 109.4° |
| N5 | C6 | H6A | 108.5° | 109.5° |
| N5 | S39 | C8 | 100.3° | 107.3° |
| N5 | S39 | O41 | 108.8° | 106.5° |
| N5 | S39 | O40 | 107.3° | 106.4° |
| C7 | C6 | H6 | 108.5° | 109.5° |
| C7 | C6 | H6A | 108.5° | 109.5° |
| C6 | C7 | O36 | 108.4° | 109.5° |
| C6 | C7 | H7 | 109.9° | 109.5° |
| C6 | C7 | H7A | 109.8° | 109.5° |
| H6 | C6 | H6A | 110.4° | 109.5° |
| O36 | C7 | H7 | 109.9° | 109.5° |
| O36 | C7 | H7A | 109.8° | 109.4° |
| C7 | O36 | C38 | 111.9° | 114.0° |
| H7 | C7 | H7A | 109.1° | 109.5° |
| C13 | C8 | C9 | 119.7° | 120.0° |
| C13 | C8 | S39 | 119.6° | 120.0° |
| C8 | C13 | C12 | 120.1° | 120.0° |
| C8 | C13 | C14 | 122.9° | 120.0° |
| C9 | C8 | S39 | 120.7° | 120.0° |
| C8 | C9 | C10 | 119.8° | 120.0° |
| C8 | C9 | C15 | 123.0° | 120.0° |
| C8 | S39 | O41 | 110.8° | 106.4° |
| C8 | S39 | O40 | 111.1° | 106.4° |
| C10 | C9 | C15 | 117.2° | 120.0° |
| C9 | C10 | C11 | 120.1° | 120.0° |
| C9 | C10 | H10 | 120.0° | 120.0° |
| C9 | C15 | H15 | 109.5° | 109.5° |
| C9 | C15 | H15A | 109.5° | 109.5° |
| C9 | C15 | H15B | 109.5° | 109.5° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | C12 | 120.4° | 120.0° |
| C10 | C11 | H11 | 119.8° | 119.9° |
| C12 | C11 | H11 | 119.8° | 120.1° |
| C11 | C12 | C13 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.0° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.0° |
| C12 | C13 | C14 | 117.0° | 120.0° |
| C13 | C14 | H14 | 109.5° | 109.5° |
| C13 | C14 | H14A | 109.5° | 109.5° |
| C13 | C14 | H14B | 109.5° | 109.5° |
| H14 | C14 | H14A | 109.5° | 109.5° |
| H14 | C14 | H14B | 109.5° | 109.4° |
| H14A | C14 | H14B | 109.5° | 109.4° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| C25 | C16 | C22 | 103.1° | 105.6° |
| C25 | C16 | C21 | 110.6° | 110.4° |
| C25 | C16 | C17 | 111.6° | 110.3° |
| C16 | C25 | N24 | 106.5° | 106.9° |
| C16 | C25 | H25 | 110.5° | 110.0° |
| C16 | C25 | H25A | 110.5° | 110.0° |
| C22 | C16 | C21 | 110.6° | 110.0° |
| C22 | C16 | C17 | 109.3° | 109.9° |
| C16 | C22 | C23 | 105.6° | 102.8° |
| C16 | C22 | H22 | 110.8° | 110.7° |
| C16 | C22 | H22A | 110.8° | 110.7° |
| C21 | C16 | C17 | 111.4° | 110.5° |
| C16 | C21 | N20 | 115.4° | 109.6° |
| C16 | C21 | H21 | 107.5° | 109.4° |
| C16 | C21 | H21A | 107.5° | 109.4° |
| C16 | C17 | C18 | 112.6° | 109.2° |
| C16 | C17 | H17 | 108.4° | 109.5° |
| C16 | C17 | H17A | 108.4° | 109.5° |
| C18 | C17 | H17 | 108.4° | 109.5° |
| C18 | C17 | H17A | 108.4° | 109.5° |
| C17 | C18 | C19 | 109.5° | 109.2° |
| C17 | C18 | H18 | 109.5° | 109.5° |
| C17 | C18 | H18A | 109.5° | 109.6° |
| H17 | C17 | H17A | 110.5° | 109.6° |
| C19 | C18 | H18 | 109.5° | 109.5° |
| C19 | C18 | H18A | 109.4° | 109.5° |
| C18 | C19 | N20 | 113.0° | 109.6° |
| C18 | C19 | H19 | 108.3° | 109.4° |
| C18 | C19 | H19A | 108.3° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.6° |
| N20 | C19 | H19 | 108.3° | 109.5° |
| N20 | C19 | H19A | 108.3° | 109.5° |
| C19 | N20 | C21 | 114.2° | 111.2° |
| H19 | C19 | H19A | 110.6° | 109.4° |
| N20 | C21 | H21 | 107.6° | 109.5° |
| N20 | C21 | H21A | 107.6° | 109.4° |
| H21 | C21 | H21A | 111.3° | 109.4° |
| C23 | C22 | H22 | 110.8° | 110.8° |
| C23 | C22 | H22A | 110.8° | 110.9° |
| C22 | C23 | N24 | 106.5° | 103.3° |
| C22 | C23 | H23 | 110.5° | 110.6° |
| C22 | C23 | H23A | 110.5° | 110.7° |
| H22 | C22 | H22A | 108.1° | 110.7° |
| N24 | C23 | H23 | 110.5° | 110.7° |
| N24 | C23 | H23A | 110.5° | 110.8° |
| C23 | N24 | C26 | 123.9° | 111.0° |
| C23 | N24 | C25 | 109.5° | 105.9° |
| H23 | C23 | H23A | 108.4° | 110.6° |
| C26 | N24 | C25 | 124.5° | 111.0° |
| N24 | C26 | N31 | 114.8° | 120.9° |
| N24 | C26 | C27 | 126.2° | 120.9° |
| N24 | C25 | H25 | 110.5° | 110.0° |
| N24 | C25 | H25A | 110.5° | 110.0° |
| H25 | C25 | H25A | 108.5° | 110.0° |
| N31 | C26 | C27 | 119.1° | 118.1° |
| C26 | N31 | C30 | 119.1° | 121.5° |
| C26 | C27 | C28 | 118.6° | 118.2° |
| C26 | C27 | C32 | 122.5° | 122.1° |
| C28 | C27 | C32 | 118.9° | 119.7° |
| C27 | C28 | N29 | 119.6° | 118.8° |
| C27 | C28 | C35 | 120.7° | 119.3° |
| C27 | C32 | C33 | 120.6° | 119.5° |
| C27 | C32 | H32 | 119.7° | 120.2° |
| N29 | C28 | C35 | 119.7° | 122.0° |
| C28 | N29 | C30 | 118.9° | 120.4° |
| C28 | C35 | C34 | 120.2° | 119.6° |
| C28 | C35 | H35 | 119.9° | 120.2° |
| N29 | C30 | N31 | 124.7° | 123.0° |
| N29 | C30 | H30 | 117.7° | 118.5° |
| N31 | C30 | H30 | 117.6° | 118.5° |
| C33 | C32 | H32 | 119.7° | 120.2° |
| C32 | C33 | C34 | 120.2° | 120.9° |
| C32 | C33 | H33 | 119.9° | 119.6° |
| C34 | C33 | H33 | 119.9° | 119.5° |
| C33 | C34 | C35 | 119.5° | 121.0° |
| C33 | C34 | H34 | 120.3° | 119.5° |
| C35 | C34 | H34 | 120.2° | 119.5° |
| C34 | C35 | H35 | 119.9° | 120.2° |
| O36 | C38 | C37 | 107.7° | 109.5° |
| O36 | C38 | H38 | 110.1° | 109.5° |
| O36 | C38 | H38A | 110.1° | 109.5° |
| C38 | C37 | H37 | 109.5° | 109.5° |
| C38 | C37 | H37A | 109.5° | 109.4° |
| C38 | C37 | H37B | 109.5° | 109.5° |
| C37 | C38 | H38 | 110.0° | 109.5° |
| C37 | C38 | H38A | 110.0° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.5° |
| H37 | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.5° |
| H38 | C38 | H38A | 108.9° | 109.4° |
| O41 | S39 | O40 | 117.2° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N20 | H1 | 120.0° | 120.0° |
| C2 | C1 | N20 | H1A | 120.0° | 119.9° |
| C2 | C1 | H1 | H1A | 117.5° | 120.0° |
| C1 | C2 | O4 | C3 | 119.0° | 120.0° |
| C1 | C2 | O4 | H2 | 120.6° | 120.0° |
| C1 | C2 | C3 | H2 | 120.6° | 120.0° |
| C1 | C2 | C3 | N5 | 154.0° | 175.6° |
| C1 | C2 | C3 | H3 | 34.0° | 55.6° |
| C1 | C2 | C3 | H3A | 86.0° | 64.3° |
| C1 | C2 | O4 | HO4 | 180.0° | 56.7° |
| C2 | C1 | N20 | C19 | 169.5° | 165.5° |
| C2 | C1 | N20 | C21 | 60.7° | 70.4° |
| N20 | C1 | H1 | H1A | 117.5° | 120.0° |
| N20 | C1 | C2 | O4 | 52.0° | 62.5° |
| N20 | C1 | C2 | C3 | 172.3° | 177.5° |
| N20 | C1 | C2 | H2 | 67.3° | 57.5° |
| C1 | N20 | C21 | C16 | 174.6° | 175.1° |
| C1 | N20 | C19 | C18 | 178.4° | 173.7° |
| C1 | N20 | C19 | C21 | 129.6° | 124.0° |
| C1 | N20 | C19 | H19 | 61.6° | 66.2° |
| C1 | N20 | C19 | H19A | 58.4° | 53.7° |
| C1 | N20 | C21 | H21 | 65.4° | 55.1° |
| C1 | N20 | C21 | H21A | 54.6° | 64.9° |
| H1 | C1 | C2 | O4 | 68.0° | 57.6° |
| H1 | C1 | C2 | C3 | 52.3° | 62.4° |
| H1 | C1 | C2 | H2 | 172.7° | 177.6° |
| H1 | C1 | N20 | C19 | 49.5° | 45.5° |
| H1 | C1 | N20 | C21 | 179.3° | 169.7° |
| H1A | C1 | C2 | O4 | 172.0° | 177.6° |
| H1A | C1 | C2 | C3 | 67.7° | 57.6° |
| H1A | C1 | C2 | H2 | 52.7° | 62.4° |
| H1A | C1 | N20 | C19 | 70.5° | 74.6° |
| H1A | C1 | N20 | C21 | 59.3° | 49.6° |
| O4 | C2 | C3 | H2 | 119.3° | 120.0° |
| O4 | C2 | C3 | N5 | 85.8° | 64.4° |
| O4 | C2 | C3 | H3 | 154.1° | 175.6° |
| O4 | C2 | C3 | H3A | 34.1° | 55.7° |
| C2 | C3 | N5 | H3 | 120.0° | 120.0° |
| C2 | C3 | N5 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 117.8° | 119.9° |
| C3 | C2 | O4 | HO4 | 61.0° | 63.3° |
| C2 | C3 | N5 | C6 | 98.8° | 63.6° |
| C2 | C3 | N5 | S39 | 80.7° | 116.3° |
| H2 | C2 | C3 | N5 | 33.4° | 55.6° |
| H2 | C2 | C3 | H3 | 86.6° | 64.4° |
| H2 | C2 | C3 | H3A | 153.4° | 175.6° |
| H2 | C2 | O4 | HO4 | 59.4° | 176.7° |
| N5 | C3 | H3 | H3A | 117.8° | 120.1° |
| C3 | N5 | C6 | S39 | 179.6° | 180.0° |
| C3 | N5 | C6 | C7 | 80.5° | 73.0° |
| C3 | N5 | C6 | H6 | 39.5° | 167.0° |
| C3 | N5 | C6 | H6A | 159.5° | 47.0° |
| C3 | N5 | S39 | C8 | 64.0° | 84.4° |
| C3 | N5 | S39 | O41 | 179.7° | 29.2° |
| C3 | N5 | S39 | O40 | 52.0° | 162.1° |
| H3 | C3 | N5 | C6 | 141.2° | 56.3° |
| H3 | C3 | N5 | S39 | 39.3° | 123.7° |
| H3A | C3 | N5 | C6 | 21.2° | 176.4° |
| H3A | C3 | N5 | S39 | 159.3° | 3.7° |
| N5 | C6 | C7 | H6 | 120.0° | 119.9° |
| N5 | C6 | C7 | H6A | 120.0° | 120.0° |
| N5 | C6 | H6 | H6A | 118.8° | 120.0° |
| N5 | C6 | C7 | O36 | 153.8° | 64.9° |
| N5 | C6 | C7 | H7 | 33.8° | 175.0° |
| N5 | C6 | C7 | H7A | 86.2° | 55.0° |
| C6 | N5 | S39 | C8 | 115.5° | 95.5° |
| C6 | N5 | S39 | O41 | 0.8° | 150.9° |
| C6 | N5 | S39 | O40 | 128.4° | 17.9° |
| S39 | N5 | C6 | C7 | 99.9° | 107.0° |
| S39 | N5 | C6 | H6 | 140.1° | 12.9° |
| S39 | N5 | C6 | H6A | 20.1° | 133.0° |
| N5 | S39 | C8 | C13 | 71.7° | 93.0° |
| N5 | S39 | C8 | C9 | 107.0° | 87.2° |
| N5 | S39 | C8 | O41 | 114.8° | 113.6° |
| N5 | S39 | C8 | O40 | 113.2° | 113.5° |
| N5 | S39 | O41 | O40 | 121.8° | 123.0° |
| C7 | C6 | H6 | H6A | 118.8° | 120.1° |
| C6 | C7 | O36 | H7 | 120.0° | 120.0° |
| C6 | C7 | O36 | H7A | 120.0° | 120.0° |
| C6 | C7 | H7 | H7A | 120.5° | 120.0° |
| C6 | C7 | O36 | C38 | 175.8° | 180.0° |
| H6 | C6 | C7 | O36 | 86.2° | 54.9° |
| H6 | C6 | C7 | H7 | 153.8° | 65.1° |
| H6 | C6 | C7 | H7A | 33.8° | 174.9° |
| H6A | C6 | C7 | O36 | 33.9° | 175.0° |
| H6A | C6 | C7 | H7 | 86.1° | 55.0° |
| H6A | C6 | C7 | H7A | 153.8° | 65.0° |
| O36 | C7 | H7 | H7A | 120.4° | 120.0° |
| C7 | O36 | C38 | C37 | 170.9° | 180.0° |
| C7 | O36 | C38 | H38 | 69.1° | 60.0° |
| C7 | O36 | C38 | H38A | 50.9° | 60.0° |
| H7 | C7 | O36 | C38 | 64.2° | 60.0° |
| H7A | C7 | O36 | C38 | 55.8° | 60.0° |
| C13 | C8 | C9 | S39 | 178.7° | 179.7° |
| C13 | C8 | C9 | C10 | 0.8° | 0.3° |
| C13 | C8 | C9 | C15 | 179.4° | 179.7° |
| C8 | C13 | C12 | C11 | 0.4° | 0.6° |
| C8 | C13 | C12 | C14 | 180.0° | 179.4° |
| C8 | C13 | C12 | H12 | 179.5° | 179.7° |
| C8 | C13 | C14 | H14 | 90.0° | 87.4° |
| C8 | C13 | C14 | H14A | 150.0° | 32.7° |
| C8 | C13 | C14 | H14B | 30.0° | 152.6° |
| C13 | C8 | S39 | O41 | 43.1° | 20.6° |
| C13 | C8 | S39 | O40 | 175.1° | 153.5° |
| C8 | C9 | C10 | C15 | 179.8° | 180.0° |
| C8 | C9 | C10 | C11 | 1.1° | 0.0° |
| C8 | C9 | C10 | H10 | 178.9° | 180.0° |
| C9 | C8 | C13 | C12 | 0.5° | 0.6° |
| C9 | C8 | C13 | C14 | 179.5° | 180.0° |
| C8 | C9 | C15 | H15 | 89.9° | 83.6° |
| C8 | C9 | C15 | H15A | 150.1° | 156.4° |
| C8 | C9 | C15 | H15B | 30.1° | 36.4° |
| C9 | C8 | S39 | O41 | 138.2° | 159.1° |
| C9 | C8 | S39 | O40 | 6.2° | 26.3° |
| S39 | C8 | C9 | C10 | 179.5° | 179.9° |
| S39 | C8 | C9 | C15 | 0.7° | 0.0° |
| S39 | C8 | C13 | C12 | 179.2° | 179.6° |
| S39 | C8 | C13 | C14 | 0.8° | 0.3° |
| C8 | S39 | O41 | O40 | 128.8° | 122.9° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.0° | 0.0° |
| C9 | C10 | C11 | H11 | 179.0° | 180.0° |
| C10 | C9 | C15 | H15 | 89.9° | 96.5° |
| C10 | C9 | C15 | H15A | 30.1° | 23.5° |
| C10 | C9 | C15 | H15B | 150.1° | 143.6° |
| C15 | C9 | C10 | C11 | 179.1° | 179.9° |
| C15 | C9 | C10 | H10 | 0.8° | 0.0° |
| C9 | C15 | H15 | H15A | 120.0° | 120.0° |
| C9 | C15 | H15 | H15B | 120.0° | 120.0° |
| C9 | C15 | H15A | H15B | 120.0° | 120.1° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.3° |
| C10 | C11 | C12 | H12 | 179.3° | 180.0° |
| H10 | C10 | C11 | C12 | 179.0° | 180.0° |
| H10 | C10 | C11 | H11 | 1.0° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 179.6° | 180.0° |
| H11 | C11 | C12 | C13 | 179.3° | 179.7° |
| H11 | C11 | C12 | H12 | 0.7° | 0.0° |
| C12 | C13 | C14 | H14 | 90.0° | 93.2° |
| C12 | C13 | C14 | H14A | 30.0° | 146.7° |
| C12 | C13 | C14 | H14B | 150.0° | 26.7° |
| H12 | C12 | C13 | C14 | 0.5° | 0.3° |
| C13 | C14 | H14 | H14A | 120.0° | 120.1° |
| C13 | C14 | H14 | H14B | 120.0° | 120.0° |
| C13 | C14 | H14A | H14B | 120.0° | 120.0° |
| H14 | C14 | H14A | H14B | 120.0° | 119.9° |
| H15 | C15 | H15A | H15B | 120.0° | 119.9° |
| C25 | C16 | C22 | C21 | 118.3° | 119.1° |
| C25 | C16 | C22 | C17 | 118.8° | 119.0° |
| C25 | C16 | C21 | C17 | 124.7° | 122.3° |
| C25 | C16 | C17 | C18 | 74.1° | 66.0° |
| C25 | C16 | C17 | H17 | 165.9° | 174.0° |
| C25 | C16 | C17 | H17A | 45.9° | 53.8° |
| C25 | C16 | C21 | N20 | 79.5° | 64.6° |
| C25 | C16 | C21 | H21 | 40.5° | 55.5° |
| C25 | C16 | C21 | H21A | 160.5° | 175.4° |
| C25 | C16 | C22 | C23 | 28.0° | 21.7° |
| C25 | C16 | C22 | H22 | 148.0° | 140.1° |
| C25 | C16 | C22 | H22A | 91.9° | 96.8° |
| C16 | C25 | N24 | C23 | 19.2° | 25.2° |
| C16 | C25 | N24 | C26 | 145.3° | 145.8° |
| C16 | C25 | N24 | H25 | 120.0° | 119.4° |
| C16 | C25 | N24 | H25A | 120.0° | 119.4° |
| C16 | C25 | H25 | H25A | 121.2° | 121.3° |
| C22 | C16 | C21 | C17 | 121.7° | 121.6° |
| C22 | C16 | C17 | C18 | 172.5° | 177.9° |
| C22 | C16 | C17 | H17 | 52.5° | 58.0° |
| C22 | C16 | C17 | H17A | 67.5° | 62.2° |
| C22 | C16 | C21 | N20 | 166.9° | 179.3° |
| C22 | C16 | C21 | H21 | 73.1° | 60.6° |
| C22 | C16 | C21 | H21A | 46.9° | 59.3° |
| C16 | C22 | C23 | H22 | 120.0° | 118.3° |
| C16 | C22 | C23 | H22A | 120.0° | 118.4° |
| C16 | C22 | H22 | H22A | 121.6° | 123.1° |
| C16 | C22 | C23 | N24 | 17.2° | 37.1° |
| C16 | C22 | C23 | H23 | 102.8° | 81.4° |
| C16 | C22 | C23 | H23A | 137.3° | 155.7° |
| C22 | C16 | C25 | N24 | 29.1° | 1.3° |
| C22 | C16 | C25 | H25 | 90.9° | 120.7° |
| C22 | C16 | C25 | H25A | 149.0° | 118.0° |
| C21 | C16 | C17 | C18 | 50.1° | 56.3° |
| C21 | C16 | C17 | H17 | 69.9° | 63.7° |
| C21 | C16 | C17 | H17A | 170.1° | 176.2° |
| C16 | C21 | N20 | C19 | 46.7° | 60.9° |
| C16 | C21 | N20 | H21 | 120.0° | 120.0° |
| C16 | C21 | N20 | H21A | 120.0° | 120.0° |
| C16 | C21 | H21 | H21A | 117.6° | 119.9° |
| C21 | C16 | C22 | C23 | 146.3° | 140.8° |
| C21 | C16 | C22 | H22 | 93.7° | 100.8° |
| C21 | C16 | C22 | H22A | 26.3° | 22.3° |
| C21 | C16 | C25 | N24 | 147.3° | 117.5° |
| C21 | C16 | C25 | H25 | 27.3° | 1.8° |
| C21 | C16 | C25 | H25A | 92.8° | 123.1° |
| C16 | C17 | C18 | H17 | 120.0° | 119.9° |
| C16 | C17 | C18 | H17A | 120.0° | 119.9° |
| C16 | C17 | H17 | H17A | 118.7° | 120.1° |
| C16 | C17 | C18 | C19 | 55.3° | 56.9° |
| C16 | C17 | C18 | H18 | 175.3° | 176.8° |
| C16 | C17 | C18 | H18A | 64.6° | 63.0° |
| C17 | C16 | C21 | N20 | 45.2° | 57.8° |
| C17 | C16 | C21 | H21 | 165.2° | 177.8° |
| C17 | C16 | C21 | H21A | 74.8° | 62.3° |
| C17 | C16 | C22 | C23 | 90.7° | 97.3° |
| C17 | C16 | C22 | H22 | 29.3° | 21.1° |
| C17 | C16 | C22 | H22A | 149.3° | 144.2° |
| C17 | C16 | C25 | N24 | 88.2° | 120.0° |
| C17 | C16 | C25 | H25 | 151.9° | 120.6° |
| C17 | C16 | C25 | H25A | 31.8° | 0.7° |
| C18 | C17 | H17 | H17A | 118.7° | 120.1° |
| C17 | C18 | C19 | H18 | 120.0° | 119.9° |
| C17 | C18 | C19 | H18A | 120.0° | 119.9° |
| C17 | C18 | H18 | H18A | 120.0° | 120.2° |
| C17 | C18 | C19 | N20 | 55.9° | 59.7° |
| C17 | C18 | C19 | H19 | 64.1° | 60.4° |
| C17 | C18 | C19 | H19A | 175.9° | 179.7° |
| H17 | C17 | C18 | C19 | 64.6° | 63.1° |
| H17 | C17 | C18 | H18 | 55.4° | 56.8° |
| H17 | C17 | C18 | H18A | 175.4° | 177.0° |
| H17A | C17 | C18 | C19 | 175.3° | 176.7° |
| H17A | C17 | C18 | H18 | 64.7° | 63.4° |
| H17A | C17 | C18 | H18A | 55.3° | 56.8° |
| C19 | C18 | H18 | H18A | 120.0° | 120.1° |
| C18 | C19 | N20 | H19 | 120.0° | 120.0° |
| C18 | C19 | N20 | H19A | 120.0° | 120.0° |
| C18 | C19 | H19 | H19A | 118.5° | 119.9° |
| C18 | C19 | N20 | C21 | 52.0° | 62.2° |
| H18 | C18 | C19 | N20 | 175.9° | 179.6° |
| H18 | C18 | C19 | H19 | 55.9° | 59.5° |
| H18 | C18 | C19 | H19A | 64.1° | 60.4° |
| H18A | C18 | C19 | N20 | 64.1° | 60.3° |
| H18A | C18 | C19 | H19 | 175.9° | 179.7° |
| H18A | C18 | C19 | H19A | 55.9° | 59.8° |
| N20 | C19 | H19 | H19A | 118.6° | 120.0° |
| C19 | N20 | C21 | H21 | 166.7° | 179.1° |
| C19 | N20 | C21 | H21A | 73.3° | 59.2° |
| H19 | C19 | N20 | C21 | 68.0° | 57.8° |
| H19A | C19 | N20 | C21 | 172.0° | 177.8° |
| N20 | C21 | H21 | H21A | 117.6° | 120.0° |
| C23 | C22 | H22 | H22A | 121.6° | 123.5° |
| C22 | C23 | N24 | H23 | 120.0° | 118.4° |
| C22 | C23 | N24 | H23A | 120.0° | 118.5° |
| C22 | C23 | H23 | H23A | 121.2° | 123.0° |
| C22 | C23 | N24 | C26 | 163.5° | 159.5° |
| C22 | C23 | N24 | C25 | 1.1° | 38.9° |
| H22 | C22 | C23 | N24 | 137.2° | 155.4° |
| H22 | C22 | C23 | H23 | 17.2° | 36.9° |
| H22 | C22 | C23 | H23A | 102.7° | 86.0° |
| H22A | C22 | C23 | N24 | 102.7° | 81.3° |
| H22A | C22 | C23 | H23 | 137.3° | 160.2° |
| H22A | C22 | C23 | H23A | 17.3° | 37.3° |
| N24 | C23 | H23 | H23A | 121.2° | 123.2° |
| C23 | N24 | C26 | C25 | 162.3° | 117.4° |
| C23 | N24 | C25 | H25 | 100.8° | 144.6° |
| C23 | N24 | C25 | H25A | 139.2° | 94.1° |
| C23 | N24 | C26 | N31 | 5.7° | 55.6° |
| C23 | N24 | C26 | C27 | 174.5° | 124.7° |
| H23 | C23 | N24 | C26 | 43.5° | 41.0° |
| H23 | C23 | N24 | C25 | 121.1° | 79.5° |
| H23A | C23 | N24 | C26 | 76.5° | 82.0° |
| H23A | C23 | N24 | C25 | 118.9° | 157.5° |
| C26 | N24 | C25 | H25 | 94.7° | 94.9° |
| C26 | N24 | C25 | H25A | 25.3° | 26.4° |
| N24 | C26 | N31 | C27 | 179.9° | 179.7° |
| N24 | C26 | C27 | C28 | 179.8° | 180.0° |
| N24 | C26 | C27 | C32 | 0.2° | 0.0° |
| N24 | C26 | N31 | C30 | 179.8° | 179.8° |
| N24 | C25 | H25 | H25A | 121.2° | 121.2° |
| C25 | N24 | C26 | N31 | 156.6° | 61.8° |
| C25 | N24 | C26 | C27 | 23.2° | 117.9° |
| N31 | C26 | C27 | C28 | 0.1° | 0.3° |
| N31 | C26 | C27 | C32 | 179.9° | 179.7° |
| C26 | N31 | C30 | N29 | 0.0° | 0.5° |
| C26 | N31 | C30 | H30 | 179.9° | 179.7° |
| C26 | C27 | C28 | C32 | 180.0° | 180.0° |
| C26 | C27 | C28 | N29 | 0.1° | 0.0° |
| C26 | C27 | C28 | C35 | 179.9° | 180.0° |
| C27 | C26 | N31 | C30 | 0.1° | 0.5° |
| C26 | C27 | C32 | C33 | 179.9° | 180.0° |
| C26 | C27 | C32 | H32 | 0.1° | 0.0° |
| C27 | C28 | N29 | C35 | 179.8° | 179.9° |
| C27 | C28 | N29 | C30 | 0.1° | 0.0° |
| C28 | C27 | C32 | C33 | 0.1° | 0.0° |
| C28 | C27 | C32 | H32 | 179.9° | 180.0° |
| C27 | C28 | C35 | C34 | 0.2° | 0.0° |
| C27 | C28 | C35 | H35 | 179.8° | 180.0° |
| C32 | C27 | C28 | N29 | 179.9° | 180.0° |
| C32 | C27 | C28 | C35 | 0.2° | 0.0° |
| C27 | C32 | C33 | H32 | 180.0° | 180.0° |
| C27 | C32 | C33 | C34 | 0.3° | 0.0° |
| C27 | C32 | C33 | H33 | 179.7° | 180.0° |
| C28 | N29 | C30 | N31 | 0.1° | 0.2° |
| C28 | N29 | C30 | H30 | 179.9° | 179.9° |
| N29 | C28 | C35 | C34 | 179.9° | 180.0° |
| N29 | C28 | C35 | H35 | 0.1° | 0.1° |
| C35 | C28 | N29 | C30 | 179.8° | 179.9° |
| C28 | C35 | C34 | C33 | 0.1° | 0.0° |
| C28 | C35 | C34 | H35 | 180.0° | 180.0° |
| C28 | C35 | C34 | H34 | 179.9° | 180.0° |
| N29 | C30 | N31 | H30 | 180.0° | 179.9° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | C35 | 0.3° | 0.0° |
| C32 | C33 | C34 | H34 | 179.7° | 180.0° |
| H32 | C32 | C33 | C34 | 179.6° | 180.0° |
| H32 | C32 | C33 | H33 | 0.3° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | H35 | 179.9° | 180.0° |
| H33 | C33 | C34 | C35 | 179.7° | 180.0° |
| H33 | C33 | C34 | H34 | 0.3° | 0.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.0° |
| O36 | C38 | C37 | H38 | 120.0° | 120.0° |
| O36 | C38 | C37 | H38A | 120.0° | 120.0° |
| O36 | C38 | C37 | H37 | 180.0° | 180.0° |
| O36 | C38 | C37 | H37A | 60.0° | 60.0° |
| O36 | C38 | C37 | H37B | 60.0° | 60.0° |
| O36 | C38 | H38 | H38A | 120.7° | 120.0° |
| C38 | C37 | H37 | H37A | 120.0° | 119.9° |
| C38 | C37 | H37 | H37B | 120.0° | 120.0° |
| C38 | C37 | H37A | H37B | 120.0° | 120.0° |
| C37 | C38 | H38 | H38A | 120.7° | 120.0° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| H37 | C37 | C38 | H38 | 60.0° | 60.0° |
| H37 | C37 | C38 | H38A | 60.0° | 59.9° |
| H37A | C37 | C38 | H38 | 180.0° | 180.0° |
| H37A | C37 | C38 | H38A | 60.0° | 60.0° |
| H37B | C37 | C38 | H38 | 60.0° | 60.0° |
| H37B | C37 | C38 | H38A | 180.0° | 180.0° |
