0SO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C28 | sing | 1.53Å | 1.52Å | |
| C30 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | O26 | sing | 1.45Å | 1.43Å | |
| O26 | C25 | sing | 1.35Å | 1.37Å | |
| C25 | O27 | doub | 1.21Å | 1.22Å | |
| C25 | N24 | sing | 1.35Å | 1.38Å | |
| N24 | C23 | sing | 1.46Å | 1.47Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | N19 | sing | 1.46Å | 1.48Å | |
| N19 | C18 | sing | 1.35Å | 1.38Å | |
| O20 | C18 | doub | 1.22Å | 1.20Å | |
| C18 | N17 | sing | 1.35Å | 1.37Å | |
| N17 | C11 | sing | 1.40Å | 1.44Å | |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | N8 | sing | 1.36Å | 1.35Å | Aromatic |
| C12 | C10 | sing | 1.40Å | 1.37Å | Aromatic |
| N8 | C4 | sing | 1.40Å | 1.47Å | |
| N8 | N9 | sing | 1.40Å | 1.27Å | Aromatic |
| C15 | C13 | sing | 1.53Å | 1.54Å | |
| C4 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.51Å | |
| C3 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | N9 | doub | 1.31Å | 1.35Å | Aromatic |
| C10 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C16 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C31 | H3 | sing | 1.09Å | 1.10Å | |
| C30 | H4 | sing | 1.09Å | 1.10Å | |
| C30 | H5 | sing | 1.09Å | 1.10Å | |
| C30 | H6 | sing | 1.09Å | 1.10Å | |
| C29 | H7 | sing | 1.09Å | 1.10Å | |
| C29 | H8 | sing | 1.09Å | 1.10Å | |
| C29 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| N19 | H15 | sing | 0.97Å | 1.00Å | |
| N17 | H16 | sing | 0.97Å | 1.00Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C2 | H27 | sing | 1.08Å | 1.08Å | |
| C6 | H28 | sing | 1.08Å | 1.08Å | |
| C5 | H29 | sing | 1.08Å | 1.08Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C7 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C1 | H33 | sing | 1.08Å | 1.08Å | |
| N24 | H34 | sing | 0.97Å | 1.00Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C28 | C30 | 110.2° | 109.5° |
| C31 | C28 | C29 | 109.8° | 109.5° |
| C31 | C28 | O26 | 107.3° | 109.5° |
| C28 | C31 | H1 | 109.5° | 109.5° |
| C28 | C31 | H2 | 109.5° | 109.5° |
| C28 | C31 | H3 | 109.4° | 109.5° |
| C30 | C28 | C29 | 107.3° | 109.5° |
| C30 | C28 | O26 | 108.8° | 109.4° |
| C28 | C30 | H4 | 109.5° | 109.4° |
| C28 | C30 | H5 | 109.5° | 109.5° |
| C28 | C30 | H6 | 109.5° | 109.5° |
| C29 | C28 | O26 | 113.4° | 109.5° |
| C28 | C29 | H7 | 109.5° | 109.5° |
| C28 | C29 | H8 | 109.5° | 109.5° |
| C28 | C29 | H9 | 109.5° | 109.5° |
| C28 | O26 | C25 | 125.5° | 117.0° |
| O26 | C25 | O27 | 121.0° | 120.0° |
| O26 | C25 | N24 | 118.1° | 120.0° |
| O27 | C25 | N24 | 120.8° | 120.0° |
| C25 | N24 | C23 | 122.9° | 120.0° |
| C25 | N24 | H34 | 118.6° | 120.0° |
| N24 | C23 | C22 | 116.4° | 109.5° |
| N24 | C23 | H10 | 107.7° | 109.4° |
| C23 | N24 | H34 | 118.5° | 120.0° |
| N24 | C23 | H35 | 107.7° | 109.5° |
| C23 | C22 | C21 | 106.9° | 109.5° |
| C22 | C23 | H10 | 107.7° | 109.4° |
| C23 | C22 | H11 | 110.1° | 109.4° |
| C23 | C22 | H12 | 110.1° | 109.5° |
| C22 | C23 | H35 | 107.7° | 109.5° |
| C22 | C21 | N19 | 117.7° | 109.5° |
| C21 | C22 | H11 | 110.1° | 109.4° |
| C21 | C22 | H12 | 110.1° | 109.5° |
| C22 | C21 | H13 | 107.4° | 109.4° |
| C22 | C21 | H14 | 107.4° | 109.5° |
| C21 | N19 | C18 | 121.3° | 120.0° |
| N19 | C21 | H13 | 107.4° | 109.5° |
| N19 | C21 | H14 | 107.4° | 109.5° |
| C21 | N19 | H15 | 119.3° | 120.0° |
| N19 | C18 | O20 | 118.7° | 119.9° |
| N19 | C18 | N17 | 120.1° | 120.0° |
| C18 | N19 | H15 | 119.4° | 120.0° |
| O20 | C18 | N17 | 121.2° | 120.1° |
| C18 | N17 | C11 | 127.3° | 120.0° |
| C18 | N17 | H16 | 116.3° | 120.0° |
| N17 | C11 | C12 | 125.7° | 126.3° |
| N17 | C11 | N8 | 129.3° | 126.3° |
| C11 | N17 | H16 | 116.4° | 120.0° |
| C5 | C6 | C4 | 121.0° | 119.9° |
| C6 | C5 | C3 | 119.2° | 120.1° |
| C5 | C6 | H28 | 119.5° | 120.0° |
| C6 | C5 | H29 | 120.4° | 119.9° |
| C6 | C4 | N8 | 118.3° | 120.0° |
| C6 | C4 | C2 | 119.7° | 119.9° |
| C4 | C6 | H28 | 119.5° | 120.1° |
| C5 | C3 | C7 | 118.9° | 119.9° |
| C5 | C3 | C1 | 120.3° | 120.2° |
| C3 | C5 | H29 | 120.4° | 120.0° |
| C12 | C11 | N8 | 105.0° | 107.5° |
| C11 | C12 | C10 | 107.2° | 107.8° |
| C11 | C12 | H17 | 126.4° | 126.1° |
| C11 | N8 | C4 | 127.3° | 126.1° |
| C11 | N8 | N9 | 111.6° | 107.8° |
| C12 | C10 | N9 | 107.0° | 108.5° |
| C12 | C10 | C13 | 125.8° | 125.7° |
| C10 | C12 | H17 | 126.4° | 126.1° |
| C4 | N8 | N9 | 120.9° | 126.1° |
| N8 | C4 | C2 | 122.0° | 120.1° |
| N8 | N9 | C10 | 109.1° | 108.4° |
| C15 | C13 | C10 | 111.8° | 109.5° |
| C15 | C13 | C14 | 108.8° | 109.4° |
| C15 | C13 | C16 | 109.8° | 109.5° |
| C13 | C15 | H21 | 109.5° | 109.5° |
| C13 | C15 | H22 | 109.4° | 109.5° |
| C13 | C15 | H23 | 109.4° | 109.4° |
| C4 | C2 | C1 | 119.8° | 119.9° |
| C4 | C2 | H27 | 120.1° | 120.0° |
| C7 | C3 | C1 | 120.8° | 119.9° |
| C3 | C7 | H30 | 109.5° | 109.4° |
| C3 | C7 | H31 | 109.4° | 109.5° |
| C3 | C7 | H32 | 109.5° | 109.5° |
| C3 | C1 | C2 | 120.0° | 120.1° |
| C3 | C1 | H33 | 120.0° | 120.0° |
| N9 | C10 | C13 | 127.1° | 125.8° |
| C10 | C13 | C14 | 108.5° | 109.5° |
| C10 | C13 | C16 | 111.2° | 109.5° |
| C14 | C13 | C16 | 106.7° | 109.5° |
| C13 | C14 | H24 | 109.5° | 109.4° |
| C13 | C14 | H25 | 109.5° | 109.5° |
| C13 | C14 | H26 | 109.5° | 109.5° |
| C13 | C16 | H18 | 109.5° | 109.4° |
| C13 | C16 | H19 | 109.5° | 109.5° |
| C13 | C16 | H20 | 109.5° | 109.5° |
| C1 | C2 | H27 | 120.1° | 120.0° |
| C2 | C1 | H33 | 120.0° | 120.0° |
| H1 | C31 | H2 | 109.4° | 109.5° |
| H1 | C31 | H3 | 109.5° | 109.5° |
| H2 | C31 | H3 | 109.4° | 109.5° |
| H4 | C30 | H5 | 109.5° | 109.4° |
| H4 | C30 | H6 | 109.4° | 109.4° |
| H5 | C30 | H6 | 109.5° | 109.5° |
| H7 | C29 | H8 | 109.5° | 109.5° |
| H7 | C29 | H9 | 109.4° | 109.4° |
| H8 | C29 | H9 | 109.4° | 109.4° |
| H10 | C23 | H35 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C21 | H14 | 109.5° | 109.5° |
| H18 | C16 | H19 | 109.5° | 109.5° |
| H18 | C16 | H20 | 109.5° | 109.5° |
| H19 | C16 | H20 | 109.4° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.6° |
| H21 | C15 | H23 | 109.5° | 109.4° |
| H22 | C15 | H23 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.5° | 109.5° |
| H24 | C14 | H26 | 109.5° | 109.5° |
| H25 | C14 | H26 | 109.4° | 109.5° |
| H30 | C7 | H31 | 109.5° | 109.4° |
| H30 | C7 | H32 | 109.5° | 109.5° |
| H31 | C7 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C28 | C30 | C29 | 119.5° | 120.0° |
| C31 | C28 | C30 | O26 | 117.4° | 120.0° |
| C31 | C28 | C29 | O26 | 120.1° | 120.0° |
| C31 | C28 | O26 | C25 | 115.8° | 180.0° |
| C28 | C31 | H1 | H2 | 120.0° | 120.0° |
| C28 | C31 | H1 | H3 | 120.0° | 120.0° |
| C28 | C31 | H2 | H3 | 120.0° | 120.0° |
| C31 | C28 | C30 | H4 | 180.0° | 60.0° |
| C31 | C28 | C30 | H5 | 60.0° | 59.9° |
| C31 | C28 | C30 | H6 | 60.0° | 180.0° |
| C31 | C28 | C29 | H7 | 180.0° | 60.0° |
| C31 | C28 | C29 | H8 | 60.0° | 60.0° |
| C31 | C28 | C29 | H9 | 60.0° | 180.0° |
| C30 | C28 | C29 | O26 | 120.1° | 119.9° |
| C30 | C28 | O26 | C25 | 124.9° | 59.9° |
| C30 | C28 | C31 | H1 | 180.0° | 180.0° |
| C30 | C28 | C31 | H2 | 60.0° | 60.0° |
| C30 | C28 | C31 | H3 | 60.0° | 60.0° |
| C28 | C30 | H4 | H5 | 120.0° | 120.0° |
| C28 | C30 | H4 | H6 | 120.0° | 120.0° |
| C28 | C30 | H5 | H6 | 120.0° | 120.1° |
| C30 | C28 | C29 | H7 | 60.2° | 180.0° |
| C30 | C28 | C29 | H8 | 59.8° | 60.0° |
| C30 | C28 | C29 | H9 | 179.8° | 60.0° |
| C29 | C28 | O26 | C25 | 5.7° | 60.0° |
| C29 | C28 | C31 | H1 | 62.0° | 60.0° |
| C29 | C28 | C31 | H2 | 58.0° | 180.0° |
| C29 | C28 | C31 | H3 | 177.9° | 60.0° |
| C29 | C28 | C30 | H4 | 60.4° | 60.0° |
| C29 | C28 | C30 | H5 | 179.5° | 180.0° |
| C29 | C28 | C30 | H6 | 59.6° | 60.0° |
| C28 | C29 | H7 | H8 | 120.0° | 120.1° |
| C28 | C29 | H7 | H9 | 120.0° | 120.0° |
| C28 | C29 | H8 | H9 | 120.0° | 120.0° |
| C28 | O26 | C25 | O27 | 49.2° | 0.0° |
| C28 | O26 | C25 | N24 | 131.8° | 179.7° |
| O26 | C28 | C31 | H1 | 61.7° | 60.0° |
| O26 | C28 | C31 | H2 | 178.3° | 60.0° |
| O26 | C28 | C31 | H3 | 58.3° | 180.0° |
| O26 | C28 | C30 | H4 | 62.6° | 180.0° |
| O26 | C28 | C30 | H5 | 57.4° | 60.1° |
| O26 | C28 | C30 | H6 | 177.4° | 60.0° |
| O26 | C28 | C29 | H7 | 59.9° | 60.0° |
| O26 | C28 | C29 | H8 | 179.9° | 179.9° |
| O26 | C28 | C29 | H9 | 60.1° | 60.0° |
| O26 | C25 | O27 | N24 | 178.9° | 179.6° |
| O26 | C25 | N24 | C23 | 179.1° | 179.7° |
| O26 | C25 | N24 | H34 | 0.9° | 0.4° |
| O27 | C25 | N24 | C23 | 0.2° | 0.1° |
| O27 | C25 | N24 | H34 | 179.8° | 180.0° |
| C25 | N24 | C23 | H34 | 180.0° | 179.9° |
| C25 | N24 | C23 | C22 | 168.8° | 180.0° |
| C25 | N24 | C23 | H10 | 47.8° | 60.1° |
| C25 | N24 | C23 | H35 | 70.2° | 59.9° |
| N24 | C23 | C22 | H10 | 121.0° | 119.9° |
| N24 | C23 | C22 | H35 | 121.0° | 120.1° |
| N24 | C23 | C22 | C21 | 159.9° | 180.0° |
| N24 | C23 | H10 | H35 | 116.9° | 120.0° |
| N24 | C23 | C22 | H11 | 80.5° | 60.1° |
| N24 | C23 | C22 | H12 | 40.3° | 59.9° |
| C23 | C22 | C21 | H11 | 119.6° | 120.0° |
| C23 | C22 | C21 | H12 | 119.6° | 120.1° |
| C23 | C22 | C21 | N19 | 169.1° | 180.0° |
| C22 | C23 | H10 | H35 | 116.8° | 120.0° |
| C23 | C22 | H11 | H12 | 121.2° | 120.0° |
| C23 | C22 | C21 | H13 | 47.9° | 60.0° |
| C23 | C22 | C21 | H14 | 69.8° | 59.9° |
| C22 | C23 | N24 | H34 | 11.3° | 0.1° |
| C22 | C21 | N19 | H13 | 121.2° | 120.0° |
| C22 | C21 | N19 | H14 | 121.2° | 120.0° |
| C22 | C21 | N19 | C18 | 139.4° | 180.0° |
| C21 | C22 | C23 | H10 | 38.9° | 60.0° |
| C21 | C22 | H11 | H12 | 121.2° | 120.0° |
| C22 | C21 | H13 | H14 | 116.2° | 120.0° |
| C22 | C21 | N19 | H15 | 40.6° | 0.0° |
| C21 | C22 | C23 | H35 | 79.1° | 60.0° |
| C21 | N19 | C18 | H15 | 180.0° | 180.0° |
| C21 | N19 | C18 | O20 | 2.1° | 0.1° |
| C21 | N19 | C18 | N17 | 177.2° | 180.0° |
| N19 | C21 | C22 | H11 | 71.3° | 60.0° |
| N19 | C21 | C22 | H12 | 49.5° | 60.0° |
| N19 | C21 | H13 | H14 | 116.3° | 120.0° |
| N19 | C18 | O20 | N17 | 179.3° | 180.0° |
| N19 | C18 | N17 | C11 | 177.7° | 180.0° |
| C18 | N19 | C21 | H13 | 18.3° | 60.0° |
| C18 | N19 | C21 | H14 | 99.4° | 60.0° |
| N19 | C18 | N17 | H16 | 2.3° | 0.0° |
| O20 | C18 | N17 | C11 | 3.0° | 0.0° |
| O20 | C18 | N19 | H15 | 177.9° | 180.0° |
| O20 | C18 | N17 | H16 | 177.0° | 179.9° |
| C18 | N17 | C11 | H16 | 180.0° | 179.9° |
| C18 | N17 | C11 | C12 | 12.5° | 0.0° |
| C18 | N17 | C11 | N8 | 166.6° | 179.7° |
| N17 | C18 | N19 | H15 | 2.8° | 0.0° |
| N17 | C11 | C12 | N8 | 179.3° | 179.7° |
| N17 | C11 | C12 | C10 | 178.2° | 180.0° |
| N17 | C11 | N8 | C4 | 1.4° | 0.0° |
| N17 | C11 | N8 | N9 | 177.5° | 179.8° |
| N17 | C11 | C12 | H17 | 1.8° | 0.0° |
| C5 | C6 | C4 | H28 | 180.0° | 179.9° |
| C6 | C5 | C3 | H29 | 180.0° | 180.0° |
| C5 | C6 | C4 | N8 | 178.7° | 180.0° |
| C5 | C6 | C4 | C2 | 1.2° | 0.3° |
| C6 | C5 | C3 | C7 | 179.9° | 180.0° |
| C6 | C5 | C3 | C1 | 0.6° | 0.3° |
| C4 | C6 | C5 | C3 | 1.1° | 0.0° |
| C6 | C4 | N8 | C11 | 44.1° | 35.4° |
| C6 | C4 | N8 | C2 | 177.4° | 179.7° |
| C6 | C4 | N8 | N9 | 131.7° | 144.9° |
| C6 | C4 | C2 | C1 | 0.9° | 0.3° |
| C6 | C4 | C2 | H27 | 179.1° | 179.7° |
| C4 | C6 | C5 | H29 | 178.9° | 180.0° |
| C5 | C3 | C7 | C1 | 179.4° | 179.7° |
| C5 | C3 | C1 | C2 | 0.4° | 0.4° |
| C3 | C5 | C6 | H28 | 178.9° | 180.0° |
| C5 | C3 | C7 | H30 | 90.3° | 90.1° |
| C5 | C3 | C7 | H31 | 149.7° | 150.0° |
| C5 | C3 | C7 | H32 | 29.7° | 30.0° |
| C5 | C3 | C1 | H33 | 179.6° | 179.7° |
| C11 | C12 | C10 | H17 | 180.0° | 180.0° |
| C12 | C11 | N8 | C4 | 177.8° | 179.8° |
| C12 | C11 | N8 | N9 | 1.7° | 0.4° |
| C11 | C12 | C10 | N9 | 0.1° | 0.0° |
| C11 | C12 | C10 | C13 | 179.3° | 180.0° |
| C12 | C11 | N17 | H16 | 167.5° | 179.9° |
| N8 | C11 | C12 | C10 | 1.1° | 0.3° |
| C11 | N8 | C4 | N9 | 175.8° | 179.8° |
| C11 | N8 | C4 | C2 | 138.5° | 145.0° |
| C11 | N8 | N9 | C10 | 1.7° | 0.4° |
| N8 | C11 | N17 | H16 | 13.4° | 0.2° |
| N8 | C11 | C12 | H17 | 178.9° | 179.7° |
| C12 | C10 | N9 | N8 | 1.0° | 0.2° |
| C12 | C10 | C13 | C15 | 17.9° | 45.0° |
| C12 | C10 | N9 | C13 | 179.4° | 180.0° |
| C12 | C10 | C13 | C14 | 137.8° | 75.0° |
| C12 | C10 | C13 | C16 | 105.2° | 165.0° |
| C4 | N8 | N9 | C10 | 178.1° | 179.8° |
| N8 | C4 | C2 | C1 | 178.3° | 179.9° |
| N8 | C4 | C2 | H27 | 1.7° | 0.1° |
| N8 | C4 | C6 | H28 | 1.3° | 0.1° |
| N9 | N8 | C4 | C2 | 45.7° | 34.8° |
| N8 | N9 | C10 | C13 | 179.6° | 179.7° |
| C15 | C13 | C10 | N9 | 161.4° | 135.0° |
| C15 | C13 | C10 | C14 | 119.9° | 120.0° |
| C15 | C13 | C10 | C16 | 123.1° | 120.0° |
| C15 | C13 | C14 | C16 | 118.4° | 120.0° |
| C15 | C13 | C16 | H18 | 180.0° | 60.0° |
| C15 | C13 | C16 | H19 | 60.0° | 60.0° |
| C15 | C13 | C16 | H20 | 60.0° | 180.0° |
| C13 | C15 | H21 | H22 | 120.0° | 120.1° |
| C13 | C15 | H21 | H23 | 120.0° | 119.9° |
| C13 | C15 | H22 | H23 | 120.0° | 120.0° |
| C15 | C13 | C14 | H24 | 180.0° | 180.0° |
| C15 | C13 | C14 | H25 | 60.0° | 60.0° |
| C15 | C13 | C14 | H26 | 60.0° | 60.0° |
| C4 | C2 | C1 | C3 | 0.5° | 0.1° |
| C4 | C2 | C1 | H27 | 180.0° | 180.0° |
| C2 | C4 | C6 | H28 | 178.8° | 179.8° |
| C4 | C2 | C1 | H33 | 179.5° | 180.0° |
| C7 | C3 | C1 | C2 | 179.8° | 180.0° |
| C7 | C3 | C5 | H29 | 0.1° | 0.0° |
| C3 | C7 | H30 | H31 | 120.0° | 119.9° |
| C3 | C7 | H30 | H32 | 120.0° | 120.0° |
| C3 | C7 | H31 | H32 | 120.0° | 120.0° |
| C7 | C3 | C1 | H33 | 0.2° | 0.1° |
| C3 | C1 | C2 | H33 | 180.0° | 179.9° |
| C3 | C1 | C2 | H27 | 179.5° | 179.9° |
| C1 | C3 | C5 | H29 | 179.4° | 179.7° |
| C1 | C3 | C7 | H30 | 90.3° | 90.3° |
| C1 | C3 | C7 | H31 | 29.7° | 29.7° |
| C1 | C3 | C7 | H32 | 149.7° | 149.7° |
| N9 | C10 | C13 | C14 | 41.5° | 105.0° |
| N9 | C10 | C13 | C16 | 75.5° | 15.0° |
| N9 | C10 | C12 | H17 | 179.9° | 180.0° |
| C10 | C13 | C14 | C16 | 119.8° | 120.0° |
| C13 | C10 | C12 | H17 | 0.7° | 0.0° |
| C10 | C13 | C16 | H18 | 55.8° | 60.0° |
| C10 | C13 | C16 | H19 | 175.8° | 180.0° |
| C10 | C13 | C16 | H20 | 64.2° | 60.0° |
| C10 | C13 | C15 | H21 | 180.0° | 59.9° |
| C10 | C13 | C15 | H22 | 60.0° | 179.9° |
| C10 | C13 | C15 | H23 | 60.0° | 60.0° |
| C10 | C13 | C14 | H24 | 58.2° | 60.0° |
| C10 | C13 | C14 | H25 | 61.8° | 180.0° |
| C10 | C13 | C14 | H26 | 178.2° | 60.0° |
| C14 | C13 | C16 | H18 | 62.3° | 180.0° |
| C14 | C13 | C16 | H19 | 57.7° | 60.0° |
| C14 | C13 | C16 | H20 | 177.7° | 60.0° |
| C14 | C13 | C15 | H21 | 60.2° | 60.1° |
| C14 | C13 | C15 | H22 | 59.8° | 60.1° |
| C14 | C13 | C15 | H23 | 179.7° | 180.0° |
| C13 | C14 | H24 | H25 | 120.0° | 120.0° |
| C13 | C14 | H24 | H26 | 120.0° | 120.0° |
| C13 | C14 | H25 | H26 | 120.0° | 120.0° |
| C13 | C16 | H18 | H19 | 120.0° | 120.0° |
| C13 | C16 | H18 | H20 | 120.0° | 120.0° |
| C13 | C16 | H19 | H20 | 120.0° | 120.0° |
| C16 | C13 | C15 | H21 | 56.2° | 180.0° |
| C16 | C13 | C15 | H22 | 176.2° | 59.9° |
| C16 | C13 | C15 | H23 | 63.8° | 60.1° |
| C16 | C13 | C14 | H24 | 61.6° | 60.0° |
| C16 | C13 | C14 | H25 | 178.4° | 60.0° |
| C16 | C13 | C14 | H26 | 58.4° | 180.0° |
| H1 | C31 | H2 | H3 | 120.0° | 120.0° |
| H4 | C30 | H5 | H6 | 120.0° | 119.9° |
| H7 | C29 | H8 | H9 | 119.9° | 120.0° |
| H10 | C23 | C22 | H11 | 158.5° | 180.0° |
| H10 | C23 | C22 | H12 | 80.7° | 60.0° |
| H10 | C23 | N24 | H34 | 132.2° | 120.0° |
| H11 | C22 | C21 | H13 | 167.5° | 180.0° |
| H11 | C22 | C21 | H14 | 49.8° | 60.0° |
| H11 | C22 | C23 | H35 | 40.6° | 60.0° |
| H12 | C22 | C21 | H13 | 71.7° | 60.0° |
| H12 | C22 | C21 | H14 | 170.6° | 180.0° |
| H12 | C22 | C23 | H35 | 161.3° | 180.0° |
| H13 | C21 | N19 | H15 | 161.7° | 120.0° |
| H14 | C21 | N19 | H15 | 80.6° | 120.0° |
| H18 | C16 | H19 | H20 | 120.0° | 120.0° |
| H21 | C15 | H22 | H23 | 120.0° | 120.0° |
| H24 | C14 | H25 | H26 | 120.0° | 120.0° |
| H27 | C2 | C1 | H33 | 0.5° | 0.0° |
| H28 | C6 | C5 | H29 | 1.1° | 0.1° |
| H30 | C7 | H31 | H32 | 120.0° | 120.1° |
| H34 | N24 | C23 | H35 | 109.8° | 120.0° |
