SMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C4 | O7 | sing | 1.35Å | 1.37Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.47Å | 1.48Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | C8 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.54Å | 1.55Å | |
| C8 | C11 | sing | 1.53Å | 1.54Å | |
| C8 | C15 | sing | 1.53Å | 1.56Å | |
| C10 | C9 | sing | 1.52Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| O17 | C10 | doub | 1.21Å | 1.22Å | |
| C11 | N12 | sing | 1.47Å | 1.50Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| N12 | C18 | sing | 1.47Å | 1.48Å | |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O16 | HO16 | sing | 0.97Å | 0.95Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| O20 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | C21 | sing | 1.53Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| N22 | C21 | sing | 1.47Å | 1.49Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C23 | N22 | sing | 1.46Å | 1.49Å | |
| S33 | N22 | sing | 1.66Å | 1.75Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| O36 | C24 | sing | 1.43Å | 1.42Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C30 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C25 | S33 | sing | 1.76Å | 1.84Å | |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C32 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | C30 | sing | 1.51Å | 1.52Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C31 | H31B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| O35 | S33 | doub | 1.42Å | 1.46Å | |
| S33 | O34 | doub | 1.42Å | 1.46Å | |
| O36 | C38 | sing | 1.43Å | 1.41Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C1 | C2 | 117.3° | 120.0° |
| O16 | C1 | C6 | 120.8° | 120.0° |
| C1 | O16 | HO16 | 109.5° | 114.0° |
| C2 | C1 | C6 | 121.9° | 120.0° |
| C1 | C2 | C3 | 119.1° | 120.7° |
| C1 | C2 | H2 | 120.4° | 119.6° |
| C1 | C6 | C5 | 118.4° | 119.6° |
| C1 | C6 | H6 | 120.8° | 120.2° |
| C3 | C2 | H2 | 120.4° | 119.7° |
| C2 | C3 | C4 | 119.6° | 120.2° |
| C2 | C3 | H3 | 120.2° | 119.9° |
| C4 | C3 | H3 | 120.2° | 119.9° |
| C3 | C4 | C5 | 121.1° | 119.3° |
| C3 | C4 | O7 | 119.0° | 120.0° |
| C5 | C4 | O7 | 119.9° | 120.7° |
| C4 | C5 | C6 | 119.7° | 120.3° |
| C4 | C5 | C10 | 118.8° | 119.1° |
| C4 | O7 | C8 | 118.8° | 118.6° |
| C6 | C5 | C10 | 121.5° | 120.7° |
| C5 | C6 | H6 | 120.8° | 120.2° |
| C5 | C10 | C9 | 116.8° | 116.5° |
| C5 | C10 | O17 | 125.2° | 121.7° |
| O7 | C8 | C9 | 107.1° | 109.4° |
| O7 | C8 | C11 | 109.3° | 109.7° |
| O7 | C8 | C15 | 108.6° | 109.7° |
| C9 | C8 | C11 | 107.8° | 109.3° |
| C9 | C8 | C15 | 112.0° | 109.3° |
| C8 | C9 | C10 | 111.6° | 107.1° |
| C8 | C9 | H9 | 108.8° | 109.9° |
| C8 | C9 | H9A | 108.8° | 109.9° |
| C11 | C8 | C15 | 111.9° | 109.4° |
| C8 | C11 | N12 | 114.2° | 109.5° |
| C8 | C11 | H11 | 107.9° | 109.5° |
| C8 | C11 | H11A | 107.9° | 109.5° |
| C8 | C15 | C14 | 114.2° | 109.2° |
| C8 | C15 | H15 | 107.9° | 109.6° |
| C8 | C15 | H15A | 107.9° | 109.5° |
| C10 | C9 | H9 | 108.7° | 109.9° |
| C10 | C9 | H9A | 108.7° | 110.0° |
| C9 | C10 | O17 | 117.9° | 121.8° |
| H9 | C9 | H9A | 110.2° | 109.9° |
| N12 | C11 | H11 | 107.9° | 109.5° |
| N12 | C11 | H11A | 107.9° | 109.4° |
| C11 | N12 | C18 | 111.5° | 111.0° |
| C11 | N12 | C13 | 114.3° | 111.2° |
| H11 | C11 | H11A | 111.0° | 109.4° |
| C18 | N12 | C13 | 112.9° | 111.0° |
| N12 | C18 | C19 | 114.6° | 109.5° |
| N12 | C18 | H18 | 107.8° | 109.5° |
| N12 | C18 | H18A | 107.8° | 109.5° |
| N12 | C13 | C14 | 113.8° | 109.5° |
| N12 | C13 | H13 | 108.1° | 109.5° |
| N12 | C13 | H13A | 108.1° | 109.5° |
| C14 | C13 | H13 | 108.0° | 109.5° |
| C14 | C13 | H13A | 108.0° | 109.5° |
| C13 | C14 | C15 | 111.4° | 109.3° |
| C13 | C14 | H14 | 108.8° | 109.5° |
| C13 | C14 | H14A | 108.8° | 109.5° |
| H13 | C13 | H13A | 110.8° | 109.4° |
| C15 | C14 | H14 | 108.8° | 109.5° |
| C15 | C14 | H14A | 108.8° | 109.5° |
| C14 | C15 | H15 | 107.9° | 109.5° |
| C14 | C15 | H15A | 107.9° | 109.5° |
| H14 | C14 | H14A | 110.1° | 109.5° |
| H15 | C15 | H15A | 111.0° | 109.6° |
| C19 | C18 | H18 | 107.8° | 109.4° |
| C19 | C18 | H18A | 107.8° | 109.5° |
| C18 | C19 | O20 | 109.7° | 109.5° |
| C18 | C19 | C21 | 110.9° | 109.5° |
| C18 | C19 | H19 | 108.3° | 109.5° |
| H18 | C18 | H18A | 111.1° | 109.5° |
| O20 | C19 | C21 | 109.2° | 109.5° |
| O20 | C19 | H19 | 109.9° | 109.5° |
| C19 | O20 | HO20 | 109.5° | 114.0° |
| C21 | C19 | H19 | 108.8° | 109.5° |
| C19 | C21 | N22 | 112.5° | 109.5° |
| C19 | C21 | H21 | 108.5° | 109.5° |
| C19 | C21 | H21A | 108.5° | 109.5° |
| N22 | C21 | H21 | 108.5° | 109.4° |
| N22 | C21 | H21A | 108.5° | 109.5° |
| C21 | N22 | C23 | 115.6° | 120.0° |
| C21 | N22 | S33 | 122.6° | 120.0° |
| H21 | C21 | H21A | 110.5° | 109.5° |
| C23 | N22 | S33 | 121.3° | 120.0° |
| N22 | C23 | C24 | 110.7° | 109.5° |
| N22 | C23 | H23 | 109.1° | 109.5° |
| N22 | C23 | H23A | 109.1° | 109.4° |
| N22 | S33 | C25 | 105.2° | 107.2° |
| N22 | S33 | O35 | 108.1° | 106.4° |
| N22 | S33 | O34 | 108.7° | 106.4° |
| C24 | C23 | H23 | 109.1° | 109.5° |
| C24 | C23 | H23A | 109.0° | 109.5° |
| C23 | C24 | O36 | 109.5° | 109.5° |
| C23 | C24 | H24 | 109.5° | 109.5° |
| C23 | C24 | H24A | 109.4° | 109.5° |
| H23 | C23 | H23A | 109.9° | 109.5° |
| O36 | C24 | H24 | 109.4° | 109.5° |
| O36 | C24 | H24A | 109.5° | 109.5° |
| C24 | O36 | C38 | 112.2° | 114.0° |
| H24 | C24 | H24A | 109.5° | 109.4° |
| C30 | C25 | C26 | 119.9° | 120.0° |
| C30 | C25 | S33 | 121.3° | 120.0° |
| C25 | C30 | C29 | 120.1° | 120.1° |
| C25 | C30 | C31 | 121.9° | 120.0° |
| C26 | C25 | S33 | 118.8° | 120.0° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C25 | C26 | C32 | 121.6° | 120.0° |
| C25 | S33 | O35 | 110.2° | 106.4° |
| C25 | S33 | O34 | 107.5° | 106.4° |
| C27 | C26 | C32 | 118.3° | 120.0° |
| C26 | C27 | C28 | 119.4° | 120.0° |
| C26 | C27 | H27 | 120.3° | 119.9° |
| C26 | C32 | H32 | 109.5° | 109.5° |
| C26 | C32 | H32A | 109.4° | 109.4° |
| C26 | C32 | H32B | 109.5° | 109.5° |
| C28 | C27 | H27 | 120.3° | 120.0° |
| C27 | C28 | C29 | 121.2° | 120.0° |
| C27 | C28 | H28 | 119.4° | 120.0° |
| C29 | C28 | H28 | 119.4° | 120.0° |
| C28 | C29 | C30 | 119.3° | 119.9° |
| C28 | C29 | H29 | 120.3° | 120.0° |
| C30 | C29 | H29 | 120.3° | 120.0° |
| C29 | C30 | C31 | 118.0° | 120.0° |
| C30 | C31 | H31 | 109.5° | 109.5° |
| C30 | C31 | H31A | 109.5° | 109.5° |
| C30 | C31 | H31B | 109.5° | 109.5° |
| H31 | C31 | H31A | 109.5° | 109.5° |
| H31 | C31 | H31B | 109.4° | 109.5° |
| H31A | C31 | H31B | 109.5° | 109.4° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.5° | 109.4° |
| H32A | C32 | H32B | 109.5° | 109.5° |
| O35 | S33 | O34 | 116.6° | 123.2° |
| O36 | C38 | C37 | 106.9° | 109.5° |
| O36 | C38 | H38 | 110.3° | 109.5° |
| O36 | C38 | H38A | 110.3° | 109.5° |
| C38 | C37 | H37 | 109.5° | 109.5° |
| C38 | C37 | H37A | 109.5° | 109.5° |
| C38 | C37 | H37B | 109.4° | 109.5° |
| C37 | C38 | H38 | 110.3° | 109.5° |
| C37 | C38 | H38A | 110.3° | 109.5° |
| H37 | C37 | H37A | 109.5° | 109.4° |
| H37 | C37 | H37B | 109.5° | 109.5° |
| H37A | C37 | H37B | 109.5° | 109.5° |
| H38 | C38 | H38A | 108.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C1 | C2 | C6 | 179.3° | 179.7° |
| O16 | C1 | C2 | C3 | 178.8° | 179.9° |
| O16 | C1 | C2 | H2 | 1.2° | 0.1° |
| O16 | C1 | C6 | C5 | 178.1° | 179.7° |
| O16 | C1 | C6 | H6 | 1.9° | 0.3° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.0° |
| C2 | C1 | C6 | H6 | 178.9° | 179.9° |
| C2 | C1 | O16 | HO16 | 180.0° | 90.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.2° |
| C6 | C1 | C2 | H2 | 179.6° | 179.9° |
| C1 | C6 | C5 | C4 | 1.0° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C10 | 179.2° | 179.5° |
| C6 | C1 | O16 | HO16 | 0.7° | 90.3° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.6° | 0.2° |
| C2 | C3 | C4 | O7 | 179.0° | 179.7° |
| H2 | C2 | C3 | C4 | 179.6° | 180.0° |
| H2 | C2 | C3 | H3 | 0.4° | 0.0° |
| C3 | C4 | C5 | O7 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | C10 | 180.0° | 179.4° |
| C3 | C4 | O7 | C8 | 147.9° | 157.5° |
| H3 | C3 | C4 | C5 | 179.4° | 179.7° |
| H3 | C3 | C4 | O7 | 1.0° | 0.4° |
| C4 | C5 | C6 | C10 | 179.9° | 179.9° |
| C4 | C5 | C6 | H6 | 179.0° | 179.6° |
| C5 | C4 | O7 | C8 | 31.7° | 22.7° |
| C4 | C5 | C10 | C9 | 0.5° | 11.8° |
| C4 | C5 | C10 | O17 | 174.6° | 168.2° |
| O7 | C4 | C5 | C6 | 179.7° | 179.4° |
| O7 | C4 | C5 | C10 | 0.4° | 0.7° |
| C4 | O7 | C8 | C9 | 58.1° | 52.9° |
| C4 | O7 | C8 | C11 | 174.6° | 67.1° |
| C4 | O7 | C8 | C15 | 63.0° | 172.7° |
| C6 | C5 | C10 | C9 | 179.6° | 168.3° |
| C6 | C5 | C10 | O17 | 5.2° | 11.7° |
| C10 | C5 | C6 | H6 | 0.8° | 0.5° |
| C5 | C10 | C9 | C8 | 26.8° | 39.8° |
| C5 | C10 | C9 | O17 | 175.5° | 180.0° |
| C5 | C10 | C9 | H9 | 146.8° | 79.6° |
| C5 | C10 | C9 | H9A | 93.2° | 159.3° |
| O7 | C8 | C9 | C11 | 117.5° | 120.2° |
| O7 | C8 | C9 | C15 | 118.9° | 120.1° |
| O7 | C8 | C11 | C15 | 120.3° | 120.4° |
| O7 | C8 | C9 | C10 | 53.4° | 58.7° |
| O7 | C8 | C9 | H9 | 173.3° | 60.7° |
| O7 | C8 | C9 | H9A | 66.6° | 178.2° |
| O7 | C8 | C11 | N12 | 73.0° | 61.3° |
| O7 | C8 | C11 | H11 | 47.0° | 58.7° |
| O7 | C8 | C11 | H11A | 167.0° | 178.7° |
| O7 | C8 | C15 | C14 | 73.4° | 62.8° |
| O7 | C8 | C15 | H15 | 166.6° | 177.2° |
| O7 | C8 | C15 | H15A | 46.6° | 57.0° |
| C9 | C8 | C11 | C15 | 123.6° | 119.6° |
| C8 | C9 | C10 | H9 | 120.0° | 119.4° |
| C8 | C9 | C10 | H9A | 120.0° | 119.5° |
| C8 | C9 | H9 | H9A | 119.2° | 121.2° |
| C8 | C9 | C10 | O17 | 157.7° | 140.2° |
| C9 | C8 | C11 | N12 | 170.9° | 178.7° |
| C9 | C8 | C11 | H11 | 69.0° | 61.3° |
| C9 | C8 | C11 | H11A | 50.9° | 58.7° |
| C9 | C8 | C15 | C14 | 168.6° | 177.2° |
| C9 | C8 | C15 | H15 | 48.6° | 57.2° |
| C9 | C8 | C15 | H15A | 71.4° | 62.9° |
| C11 | C8 | C9 | C10 | 170.9° | 61.4° |
| C11 | C8 | C9 | H9 | 69.2° | 179.2° |
| C11 | C8 | C9 | H9A | 50.9° | 58.0° |
| C8 | C11 | N12 | H11 | 120.0° | 120.1° |
| C8 | C11 | N12 | H11A | 120.0° | 120.0° |
| C8 | C11 | H11 | H11A | 118.1° | 120.0° |
| C8 | C11 | N12 | C18 | 179.7° | 174.2° |
| C8 | C11 | N12 | C13 | 50.2° | 61.7° |
| C11 | C8 | C15 | C14 | 47.4° | 57.6° |
| C11 | C8 | C15 | H15 | 72.7° | 62.4° |
| C11 | C8 | C15 | H15A | 167.4° | 177.4° |
| C15 | C8 | C9 | C10 | 65.6° | 178.9° |
| C15 | C8 | C9 | H9 | 54.4° | 59.5° |
| C15 | C8 | C9 | H9A | 174.5° | 61.7° |
| C15 | C8 | C11 | N12 | 47.3° | 59.1° |
| C15 | C8 | C11 | H11 | 167.3° | 179.1° |
| C15 | C8 | C11 | H11A | 72.7° | 60.9° |
| C8 | C15 | C14 | C13 | 48.3° | 57.6° |
| C8 | C15 | C14 | H15 | 120.0° | 120.0° |
| C8 | C15 | C14 | H15A | 120.0° | 119.9° |
| C8 | C15 | C14 | H14 | 71.7° | 62.4° |
| C8 | C15 | C14 | H14A | 168.3° | 177.5° |
| C8 | C15 | H15 | H15A | 118.1° | 120.1° |
| C10 | C9 | H9 | H9A | 119.1° | 121.2° |
| H9 | C9 | C10 | O17 | 37.7° | 100.4° |
| H9A | C9 | C10 | O17 | 82.3° | 20.7° |
| N12 | C11 | H11 | H11A | 118.1° | 119.9° |
| C11 | N12 | C18 | C13 | 130.3° | 124.2° |
| C11 | N12 | C13 | C14 | 51.3° | 61.8° |
| C11 | N12 | C13 | H13 | 171.3° | 178.2° |
| C11 | N12 | C13 | H13A | 68.7° | 58.2° |
| C11 | N12 | C18 | C19 | 64.4° | 75.6° |
| C11 | N12 | C18 | H18 | 55.6° | 44.3° |
| C11 | N12 | C18 | H18A | 175.6° | 164.4° |
| H11 | C11 | N12 | C18 | 60.3° | 54.1° |
| H11 | C11 | N12 | C13 | 170.2° | 178.3° |
| H11A | C11 | N12 | C18 | 59.7° | 65.8° |
| H11A | C11 | N12 | C13 | 69.8° | 58.3° |
| C18 | N12 | C13 | C14 | 179.9° | 174.1° |
| C18 | N12 | C13 | H13 | 59.9° | 54.1° |
| C18 | N12 | C13 | H13A | 60.1° | 65.9° |
| N12 | C18 | C19 | H18 | 120.0° | 120.0° |
| N12 | C18 | C19 | H18A | 120.0° | 120.0° |
| N12 | C18 | H18 | H18A | 117.9° | 120.0° |
| N12 | C18 | C19 | O20 | 41.0° | 62.7° |
| N12 | C18 | C19 | C21 | 161.8° | 177.3° |
| N12 | C18 | C19 | H19 | 79.0° | 57.3° |
| N12 | C13 | C14 | H13 | 120.0° | 120.0° |
| N12 | C13 | C14 | H13A | 120.0° | 120.0° |
| N12 | C13 | H13 | H13A | 118.2° | 120.0° |
| N12 | C13 | C14 | C15 | 49.9° | 59.2° |
| N12 | C13 | C14 | H14 | 70.1° | 60.8° |
| N12 | C13 | C14 | H14A | 169.9° | 179.1° |
| C13 | N12 | C18 | C19 | 165.3° | 160.2° |
| C13 | N12 | C18 | H18 | 74.6° | 79.9° |
| C13 | N12 | C18 | H18A | 45.3° | 40.2° |
| C14 | C13 | H13 | H13A | 118.2° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 119.2° | 120.1° |
| C13 | C14 | C15 | H15 | 71.7° | 62.4° |
| C13 | C14 | C15 | H15A | 168.3° | 177.5° |
| H13 | C13 | C14 | C15 | 169.9° | 179.2° |
| H13 | C13 | C14 | H14 | 49.9° | 59.3° |
| H13 | C13 | C14 | H14A | 70.1° | 60.8° |
| H13A | C13 | C14 | C15 | 70.1° | 60.8° |
| H13A | C13 | C14 | H14 | 169.9° | 179.2° |
| H13A | C13 | C14 | H14A | 49.9° | 59.1° |
| C15 | C14 | H14 | H14A | 119.2° | 120.1° |
| C14 | C15 | H15 | H15A | 118.0° | 120.1° |
| H14 | C14 | C15 | H15 | 168.3° | 177.7° |
| H14 | C14 | C15 | H15A | 48.3° | 57.5° |
| H14A | C14 | C15 | H15 | 48.3° | 57.6° |
| H14A | C14 | C15 | H15A | 71.7° | 62.6° |
| C19 | C18 | H18 | H18A | 117.9° | 120.0° |
| C18 | C19 | O20 | C21 | 121.8° | 120.0° |
| C18 | C19 | O20 | H19 | 119.0° | 120.0° |
| C18 | C19 | C21 | H19 | 119.0° | 120.0° |
| C18 | C19 | O20 | HO20 | 180.0° | 57.6° |
| C18 | C19 | C21 | N22 | 155.8° | 176.7° |
| C18 | C19 | C21 | H21 | 35.8° | 56.8° |
| C18 | C19 | C21 | H21A | 84.2° | 63.2° |
| H18 | C18 | C19 | O20 | 161.1° | 177.3° |
| H18 | C18 | C19 | C21 | 78.2° | 57.3° |
| H18 | C18 | C19 | H19 | 41.1° | 62.7° |
| H18A | C18 | C19 | O20 | 78.9° | 57.3° |
| H18A | C18 | C19 | C21 | 41.8° | 62.7° |
| H18A | C18 | C19 | H19 | 161.1° | 177.3° |
| O20 | C19 | C21 | H19 | 120.0° | 120.0° |
| O20 | C19 | C21 | N22 | 83.1° | 63.3° |
| O20 | C19 | C21 | H21 | 156.9° | 176.8° |
| O20 | C19 | C21 | H21A | 36.9° | 56.8° |
| C21 | C19 | O20 | HO20 | 58.3° | 62.4° |
| C19 | C21 | N22 | H21 | 120.0° | 120.0° |
| C19 | C21 | N22 | H21A | 120.0° | 120.0° |
| C19 | C21 | H21 | H21A | 118.8° | 120.0° |
| C19 | C21 | N22 | C23 | 96.2° | 63.8° |
| C19 | C21 | N22 | S33 | 76.1° | 116.3° |
| H19 | C19 | O20 | HO20 | 61.0° | 177.6° |
| H19 | C19 | C21 | N22 | 36.9° | 56.7° |
| H19 | C19 | C21 | H21 | 83.1° | 63.3° |
| H19 | C19 | C21 | H21A | 156.8° | 176.7° |
| N22 | C21 | H21 | H21A | 118.8° | 120.0° |
| C21 | N22 | C23 | S33 | 172.4° | 180.0° |
| C21 | N22 | C23 | C24 | 73.2° | 74.0° |
| C21 | N22 | C23 | H23 | 46.8° | 165.9° |
| C21 | N22 | C23 | H23A | 166.8° | 45.9° |
| C21 | N22 | S33 | C25 | 56.9° | 84.3° |
| C21 | N22 | S33 | O35 | 174.7° | 29.2° |
| C21 | N22 | S33 | O34 | 57.9° | 162.1° |
| H21 | C21 | N22 | C23 | 143.8° | 56.2° |
| H21 | C21 | N22 | S33 | 43.9° | 123.7° |
| H21A | C21 | N22 | C23 | 23.8° | 176.2° |
| H21A | C21 | N22 | S33 | 163.9° | 3.8° |
| N22 | C23 | C24 | H23 | 120.0° | 120.0° |
| N22 | C23 | C24 | H23A | 120.0° | 119.9° |
| N22 | C23 | H23 | H23A | 119.5° | 119.9° |
| N22 | C23 | C24 | O36 | 168.2° | 65.0° |
| N22 | C23 | C24 | H24 | 48.2° | 175.0° |
| N22 | C23 | C24 | H24A | 71.8° | 55.0° |
| C23 | N22 | S33 | C25 | 114.9° | 95.7° |
| C23 | N22 | S33 | O35 | 2.8° | 150.8° |
| C23 | N22 | S33 | O34 | 130.2° | 17.8° |
| S33 | N22 | C23 | C24 | 114.4° | 105.9° |
| S33 | N22 | C23 | H23 | 125.6° | 14.1° |
| S33 | N22 | C23 | H23A | 5.6° | 134.1° |
| N22 | S33 | C25 | C30 | 71.9° | 93.4° |
| N22 | S33 | C25 | C26 | 106.7° | 86.9° |
| N22 | S33 | C25 | O35 | 116.3° | 113.5° |
| N22 | S33 | C25 | O34 | 115.7° | 113.6° |
| N22 | S33 | O35 | O34 | 122.7° | 123.0° |
| C24 | C23 | H23 | H23A | 119.5° | 120.0° |
| C23 | C24 | O36 | H24 | 120.0° | 120.0° |
| C23 | C24 | O36 | H24A | 120.0° | 120.0° |
| C23 | C24 | H24 | H24A | 120.0° | 120.0° |
| C23 | C24 | O36 | C38 | 156.5° | 180.0° |
| H23 | C23 | C24 | O36 | 71.8° | 55.0° |
| H23 | C23 | C24 | H24 | 168.2° | 65.0° |
| H23 | C23 | C24 | H24A | 48.2° | 175.0° |
| H23A | C23 | C24 | O36 | 48.2° | 175.1° |
| H23A | C23 | C24 | H24 | 71.8° | 55.1° |
| H23A | C23 | C24 | H24A | 168.2° | 64.9° |
| O36 | C24 | H24 | H24A | 120.0° | 119.9° |
| C24 | O36 | C38 | C37 | 173.4° | 180.0° |
| C24 | O36 | C38 | H38 | 66.6° | 60.0° |
| C24 | O36 | C38 | H38A | 53.4° | 60.0° |
| H24 | C24 | O36 | C38 | 36.5° | 60.0° |
| H24A | C24 | O36 | C38 | 83.5° | 60.0° |
| C30 | C25 | C26 | S33 | 178.7° | 179.7° |
| C30 | C25 | C26 | C27 | 0.5° | 0.3° |
| C30 | C25 | C26 | C32 | 178.8° | 179.7° |
| C25 | C30 | C29 | C28 | 0.5° | 0.6° |
| C25 | C30 | C29 | C31 | 179.5° | 179.4° |
| C25 | C30 | C29 | H29 | 179.5° | 179.6° |
| C25 | C30 | C31 | H31 | 90.3° | 87.3° |
| C25 | C30 | C31 | H31A | 149.7° | 32.8° |
| C25 | C30 | C31 | H31B | 29.7° | 152.7° |
| C30 | C25 | S33 | O35 | 44.3° | 20.1° |
| C30 | C25 | S33 | O34 | 172.4° | 153.0° |
| C25 | C26 | C27 | C32 | 179.3° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C30 | C29 | 0.7° | 0.6° |
| C26 | C25 | C30 | C31 | 179.8° | 180.0° |
| C25 | C26 | C32 | H32 | 90.3° | 84.6° |
| C25 | C26 | C32 | H32A | 149.6° | 155.4° |
| C25 | C26 | C32 | H32B | 29.7° | 35.4° |
| C26 | C25 | S33 | O35 | 137.0° | 159.6° |
| C26 | C25 | S33 | O34 | 9.0° | 26.7° |
| S33 | C25 | C26 | C27 | 179.2° | 180.0° |
| S33 | C25 | C26 | C32 | 0.1° | 0.0° |
| S33 | C25 | C30 | C29 | 179.4° | 179.7° |
| S33 | C25 | C30 | C31 | 1.2° | 0.3° |
| C25 | S33 | O35 | O34 | 122.9° | 122.9° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H28 | 179.8° | 179.9° |
| C27 | C26 | C32 | H32 | 90.3° | 95.5° |
| C27 | C26 | C32 | H32A | 29.7° | 24.6° |
| C27 | C26 | C32 | H32B | 149.7° | 144.6° |
| C32 | C26 | C27 | C28 | 179.3° | 180.0° |
| C32 | C26 | C27 | H27 | 0.8° | 0.0° |
| C26 | C32 | H32 | H32A | 120.0° | 120.0° |
| C26 | C32 | H32 | H32B | 120.0° | 120.0° |
| C26 | C32 | H32A | H32B | 120.0° | 120.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.1° | 0.3° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C28 | C29 | C30 | C31 | 180.0° | 180.0° |
| H28 | C28 | C29 | C30 | 179.9° | 179.7° |
| H28 | C28 | C29 | H29 | 0.0° | 0.0° |
| C29 | C30 | C31 | H31 | 90.3° | 93.3° |
| C29 | C30 | C31 | H31A | 29.7° | 146.6° |
| C29 | C30 | C31 | H31B | 149.8° | 26.7° |
| H29 | C29 | C30 | C31 | 0.0° | 0.2° |
| C30 | C31 | H31 | H31A | 120.0° | 120.1° |
| C30 | C31 | H31 | H31B | 120.0° | 120.0° |
| C30 | C31 | H31A | H31B | 120.0° | 120.0° |
| H31 | C31 | H31A | H31B | 120.0° | 120.0° |
| H32 | C32 | H32A | H32B | 120.0° | 120.0° |
| O36 | C38 | C37 | H38 | 120.0° | 120.0° |
| O36 | C38 | C37 | H38A | 120.0° | 120.0° |
| O36 | C38 | C37 | H37 | 180.0° | 60.0° |
| O36 | C38 | C37 | H37A | 60.0° | 180.0° |
| O36 | C38 | C37 | H37B | 60.0° | 60.0° |
| O36 | C38 | H38 | H38A | 121.0° | 120.0° |
| C38 | C37 | H37 | H37A | 120.0° | 120.0° |
| C38 | C37 | H37 | H37B | 120.0° | 120.1° |
| C38 | C37 | H37A | H37B | 120.0° | 120.0° |
| C37 | C38 | H38 | H38A | 121.0° | 120.0° |
| H37 | C37 | H37A | H37B | 120.0° | 120.0° |
| H37 | C37 | C38 | H38 | 60.0° | 60.0° |
| H37 | C37 | C38 | H38A | 60.0° | 179.9° |
| H37A | C37 | C38 | H38 | 180.0° | 60.0° |
| H37A | C37 | C38 | H38A | 60.0° | 60.0° |
| H37B | C37 | C38 | H38 | 60.0° | 180.0° |
| H37B | C37 | C38 | H38A | 180.0° | 60.0° |
