JUH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F37 | C34 | sing | 1.40Å | 1.37Å | |
| O5 | S3 | doub | 1.42Å | 1.47Å | |
| F35 | C34 | sing | 1.40Å | 1.37Å | |
| F36 | C34 | sing | 1.40Å | 1.37Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C34 | C32 | sing | 1.53Å | 1.52Å | |
| C2 | S3 | sing | 1.81Å | 1.79Å | |
| S3 | O4 | doub | 1.42Å | 1.46Å | |
| S3 | C6 | sing | 1.76Å | 1.78Å | |
| F40 | C38 | sing | 1.40Å | 1.37Å | |
| F39 | C38 | sing | 1.40Å | 1.36Å | |
| C32 | C38 | sing | 1.53Å | 1.52Å | |
| C32 | C29 | sing | 1.51Å | 1.51Å | |
| C32 | O33 | sing | 1.43Å | 1.42Å | |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | F41 | sing | 1.40Å | 1.36Å | |
| C6 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C26 | N25 | sing | 1.40Å | 1.41Å | |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.50Å | |
| N25 | C23 | sing | 1.35Å | 1.37Å | |
| C23 | C12 | sing | 1.51Å | 1.51Å | |
| C23 | O24 | doub | 1.21Å | 1.22Å | |
| C12 | N13 | sing | 1.47Å | 1.46Å | |
| N13 | C14 | sing | 1.35Å | 1.38Å | |
| O15 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C22 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C22 | H16 | sing | 1.08Å | 1.08Å | |
| N25 | H17 | sing | 0.97Å | 1.00Å | |
| C27 | H18 | sing | 1.08Å | 1.08Å | |
| C30 | H19 | sing | 1.08Å | 1.08Å | |
| C31 | H20 | sing | 1.08Å | 1.08Å | |
| N13 | H21 | sing | 0.97Å | 1.00Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| O33 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F37 | C34 | F35 | 109.3° | 109.5° |
| F37 | C34 | F36 | 107.8° | 109.5° |
| F37 | C34 | C32 | 110.9° | 109.5° |
| O5 | S3 | C2 | 108.9° | 110.6° |
| O5 | S3 | O4 | 118.8° | 121.1° |
| O5 | S3 | C6 | 110.4° | 104.3° |
| F35 | C34 | F36 | 108.2° | 109.4° |
| F35 | C34 | C32 | 109.1° | 109.5° |
| F36 | C34 | C32 | 111.5° | 109.4° |
| C1 | C2 | S3 | 111.4° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.4° |
| C2 | C1 | H2 | 109.4° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.0° | 109.5° |
| C1 | C2 | H5 | 109.0° | 109.5° |
| C34 | C32 | C38 | 111.7° | 109.5° |
| C34 | C32 | C29 | 113.5° | 109.5° |
| C34 | C32 | O33 | 107.2° | 109.5° |
| C2 | S3 | O4 | 106.2° | 110.5° |
| C2 | S3 | C6 | 104.7° | 104.5° |
| S3 | C2 | H4 | 109.0° | 109.4° |
| S3 | C2 | H5 | 108.9° | 109.5° |
| O4 | S3 | C6 | 106.9° | 104.2° |
| S3 | C6 | C7 | 119.7° | 120.0° |
| S3 | C6 | C11 | 119.1° | 120.0° |
| F40 | C38 | F39 | 108.6° | 109.5° |
| F40 | C38 | C32 | 112.8° | 109.4° |
| F40 | C38 | F41 | 109.3° | 109.5° |
| F39 | C38 | C32 | 110.5° | 109.5° |
| F39 | C38 | F41 | 105.3° | 109.5° |
| C38 | C32 | C29 | 111.3° | 109.5° |
| C38 | C32 | O33 | 104.0° | 109.4° |
| C32 | C38 | F41 | 110.2° | 109.4° |
| C29 | C32 | O33 | 108.6° | 109.5° |
| C32 | C29 | C30 | 122.0° | 120.0° |
| C32 | C29 | C28 | 119.3° | 119.9° |
| C32 | O33 | H24 | 109.5° | 114.0° |
| C6 | C7 | C8 | 119.2° | 120.0° |
| C7 | C6 | C11 | 121.2° | 120.0° |
| C6 | C7 | H6 | 120.4° | 120.0° |
| C7 | C8 | C9 | 120.5° | 120.0° |
| C8 | C7 | H6 | 120.4° | 120.0° |
| C7 | C8 | H7 | 119.8° | 120.0° |
| C29 | C30 | C31 | 120.8° | 120.1° |
| C30 | C29 | C28 | 118.7° | 120.1° |
| C29 | C30 | H19 | 119.6° | 119.9° |
| C30 | C31 | C26 | 120.0° | 120.0° |
| C31 | C30 | H19 | 119.6° | 120.0° |
| C30 | C31 | H20 | 120.0° | 120.0° |
| C6 | C11 | C10 | 119.0° | 120.0° |
| C6 | C11 | H9 | 120.5° | 120.0° |
| C29 | C28 | C27 | 121.0° | 120.1° |
| C29 | C28 | H23 | 119.5° | 120.0° |
| C31 | C26 | C27 | 120.2° | 119.8° |
| C31 | C26 | N25 | 116.2° | 120.1° |
| C26 | C31 | H20 | 120.0° | 120.0° |
| C8 | C9 | C10 | 119.5° | 120.0° |
| C8 | C9 | C12 | 119.0° | 120.0° |
| C9 | C8 | H7 | 119.7° | 120.0° |
| C28 | C27 | C26 | 119.5° | 119.9° |
| C28 | C27 | H18 | 120.3° | 120.1° |
| C27 | C28 | H23 | 119.5° | 120.0° |
| C11 | C10 | C9 | 120.6° | 120.0° |
| C11 | C10 | H8 | 119.7° | 120.0° |
| C10 | C11 | H9 | 120.5° | 120.0° |
| C27 | C26 | N25 | 123.7° | 120.1° |
| C26 | C27 | H18 | 120.3° | 120.0° |
| C26 | N25 | C23 | 125.9° | 120.0° |
| C26 | N25 | H17 | 117.0° | 120.0° |
| C10 | C9 | C12 | 121.4° | 120.0° |
| C9 | C10 | H8 | 119.7° | 120.0° |
| C9 | C12 | C23 | 107.0° | 109.5° |
| C9 | C12 | N13 | 112.3° | 109.5° |
| C9 | C12 | H10 | 110.1° | 109.5° |
| N25 | C23 | C12 | 111.5° | 120.0° |
| N25 | C23 | O24 | 124.6° | 120.0° |
| C23 | N25 | H17 | 117.0° | 120.0° |
| C12 | C23 | O24 | 124.0° | 120.0° |
| C23 | C12 | N13 | 106.8° | 109.5° |
| C23 | C12 | H10 | 109.9° | 109.5° |
| C12 | N13 | C14 | 121.8° | 120.0° |
| N13 | C12 | H10 | 110.6° | 109.4° |
| C12 | N13 | H21 | 119.1° | 120.0° |
| N13 | C14 | O15 | 125.5° | 119.9° |
| N13 | C14 | C16 | 112.4° | 120.0° |
| C14 | N13 | H21 | 119.1° | 120.0° |
| O15 | C14 | C16 | 122.1° | 120.1° |
| C14 | C16 | C17 | 113.1° | 109.4° |
| C14 | C16 | H11 | 108.6° | 109.5° |
| C14 | C16 | H12 | 108.6° | 109.5° |
| C16 | C17 | C22 | 120.6° | 120.0° |
| C16 | C17 | C18 | 119.1° | 120.0° |
| C17 | C16 | H11 | 108.5° | 109.5° |
| C17 | C16 | H12 | 108.5° | 109.5° |
| C17 | C22 | C21 | 119.2° | 120.0° |
| C22 | C17 | C18 | 120.3° | 120.0° |
| C17 | C22 | H16 | 120.4° | 120.0° |
| C22 | C21 | C20 | 120.5° | 120.1° |
| C22 | C21 | H15 | 119.8° | 119.9° |
| C21 | C22 | H16 | 120.4° | 120.0° |
| C17 | C18 | C19 | 120.4° | 120.0° |
| C17 | C18 | H22 | 119.8° | 120.0° |
| C21 | C20 | C19 | 120.2° | 120.0° |
| C21 | C20 | H14 | 119.9° | 120.0° |
| C20 | C21 | H15 | 119.8° | 120.0° |
| C18 | C19 | C20 | 119.3° | 120.0° |
| C18 | C19 | H13 | 120.3° | 120.0° |
| C19 | C18 | H22 | 119.8° | 120.0° |
| C20 | C19 | H13 | 120.3° | 120.0° |
| C19 | C20 | H14 | 119.9° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F37 | C34 | F35 | F36 | 117.1° | 120.0° |
| F37 | C34 | F35 | C32 | 121.4° | 120.0° |
| F37 | C34 | F36 | C32 | 122.0° | 120.0° |
| F37 | C34 | C32 | C38 | 57.7° | 60.0° |
| F37 | C34 | C32 | C29 | 69.1° | 60.0° |
| F37 | C34 | C32 | O33 | 171.0° | 180.0° |
| O5 | S3 | C2 | C1 | 62.3° | 68.4° |
| O5 | S3 | C2 | O4 | 129.1° | 136.8° |
| O5 | S3 | C2 | C6 | 118.0° | 111.6° |
| O5 | S3 | O4 | C6 | 125.6° | 116.7° |
| O5 | S3 | C6 | C7 | 4.0° | 153.9° |
| O5 | S3 | C6 | C11 | 176.1° | 26.1° |
| O5 | S3 | C2 | H4 | 58.1° | 51.6° |
| O5 | S3 | C2 | H5 | 177.4° | 171.6° |
| F35 | C34 | F36 | C32 | 119.9° | 120.0° |
| F35 | C34 | C32 | C38 | 62.7° | 60.0° |
| F35 | C34 | C32 | C29 | 170.5° | 180.0° |
| F35 | C34 | C32 | O33 | 50.6° | 60.0° |
| F36 | C34 | C32 | C38 | 177.8° | 180.0° |
| F36 | C34 | C32 | C29 | 51.0° | 60.0° |
| F36 | C34 | C32 | O33 | 68.8° | 60.0° |
| C1 | C2 | S3 | H4 | 120.3° | 120.0° |
| C1 | C2 | S3 | H5 | 120.3° | 120.0° |
| C1 | C2 | S3 | O4 | 168.6° | 68.4° |
| C1 | C2 | S3 | C6 | 55.8° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 119.2° | 120.0° |
| C34 | C32 | C38 | F40 | 60.7° | 64.3° |
| C34 | C32 | C38 | F39 | 61.0° | 55.6° |
| C34 | C32 | C38 | C29 | 128.0° | 120.0° |
| C34 | C32 | C38 | O33 | 115.2° | 120.0° |
| C34 | C32 | C29 | O33 | 119.0° | 120.0° |
| C34 | C32 | C29 | C30 | 64.5° | 124.3° |
| C34 | C32 | C38 | F41 | 176.9° | 175.6° |
| C34 | C32 | C29 | C28 | 116.3° | 56.1° |
| C34 | C32 | O33 | H24 | 180.0° | 180.0° |
| C2 | S3 | O4 | C6 | 111.4° | 111.7° |
| C2 | S3 | C6 | C7 | 113.0° | 90.0° |
| C2 | S3 | C6 | C11 | 66.9° | 90.0° |
| S3 | C2 | C1 | H1 | 180.0° | 180.0° |
| S3 | C2 | C1 | H2 | 60.0° | 60.0° |
| S3 | C2 | C1 | H3 | 60.0° | 60.0° |
| S3 | C2 | H4 | H5 | 119.1° | 120.0° |
| O4 | S3 | C6 | C7 | 134.5° | 26.1° |
| O4 | S3 | C6 | C11 | 45.5° | 154.0° |
| O4 | S3 | C2 | H4 | 71.1° | 171.6° |
| O4 | S3 | C2 | H5 | 48.3° | 51.6° |
| S3 | C6 | C7 | C11 | 179.9° | 179.9° |
| S3 | C6 | C7 | C8 | 178.8° | 180.0° |
| S3 | C6 | C11 | C10 | 179.6° | 180.0° |
| C6 | S3 | C2 | H4 | 176.1° | 60.0° |
| C6 | S3 | C2 | H5 | 64.5° | 60.0° |
| S3 | C6 | C7 | H6 | 1.2° | 0.3° |
| S3 | C6 | C11 | H9 | 0.4° | 0.1° |
| F40 | C38 | F39 | C32 | 124.2° | 120.0° |
| F40 | C38 | F39 | F41 | 116.9° | 120.1° |
| F40 | C38 | C32 | F41 | 122.4° | 120.0° |
| F40 | C38 | C32 | C29 | 67.3° | 55.7° |
| F40 | C38 | C32 | O33 | 175.9° | 175.7° |
| F39 | C38 | C32 | F41 | 115.9° | 120.0° |
| F39 | C38 | C32 | C29 | 171.0° | 175.7° |
| F39 | C38 | C32 | O33 | 54.2° | 64.3° |
| C38 | C32 | C29 | O33 | 114.0° | 120.0° |
| C38 | C32 | C29 | C30 | 62.4° | 115.7° |
| C38 | C32 | C29 | C28 | 116.7° | 64.0° |
| C38 | C32 | O33 | H24 | 61.6° | 60.0° |
| C32 | C29 | C30 | C28 | 179.2° | 179.7° |
| C32 | C29 | C30 | C31 | 178.8° | 180.0° |
| C29 | C32 | C38 | F41 | 55.2° | 64.3° |
| C32 | C29 | C28 | C27 | 178.9° | 179.8° |
| C32 | C29 | C30 | H19 | 1.1° | 0.1° |
| C32 | C29 | C28 | H23 | 1.1° | 0.3° |
| C29 | C32 | O33 | H24 | 57.0° | 60.0° |
| O33 | C32 | C29 | C30 | 176.4° | 4.3° |
| O33 | C32 | C38 | F41 | 61.6° | 55.7° |
| O33 | C32 | C29 | C28 | 2.7° | 176.1° |
| C6 | C7 | C8 | H6 | 180.0° | 179.8° |
| C6 | C7 | C8 | C9 | 1.3° | 0.0° |
| C7 | C6 | C11 | C10 | 0.3° | 0.0° |
| C6 | C7 | C8 | H7 | 178.7° | 179.9° |
| C7 | C6 | C11 | H9 | 179.7° | 180.0° |
| C8 | C7 | C6 | C11 | 1.3° | 0.0° |
| C7 | C8 | C9 | H7 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.3° | 0.1° |
| C7 | C8 | C9 | C12 | 177.2° | 180.0° |
| C29 | C30 | C31 | H19 | 180.0° | 179.9° |
| C29 | C30 | C31 | C26 | 0.2° | 0.2° |
| C30 | C29 | C28 | C27 | 0.3° | 0.1° |
| C29 | C30 | C31 | H20 | 179.8° | 179.9° |
| C30 | C29 | C28 | H23 | 179.7° | 180.0° |
| C31 | C30 | C29 | C28 | 0.3° | 0.3° |
| C30 | C31 | C26 | H20 | 180.0° | 179.8° |
| C30 | C31 | C26 | C27 | 0.9° | 0.1° |
| C30 | C31 | C26 | N25 | 178.8° | 180.0° |
| C6 | C11 | C10 | H9 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 2.0° | 0.0° |
| C11 | C6 | C7 | H6 | 178.7° | 179.8° |
| C6 | C11 | C10 | H8 | 178.0° | 180.0° |
| C29 | C28 | C27 | H23 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.4° | 0.2° |
| C29 | C28 | C27 | H18 | 179.6° | 180.0° |
| C28 | C29 | C30 | H19 | 179.7° | 179.6° |
| C31 | C26 | C27 | C28 | 0.9° | 0.3° |
| C31 | C26 | C27 | N25 | 179.7° | 179.9° |
| C31 | C26 | N25 | C23 | 162.0° | 35.2° |
| C31 | C26 | N25 | H17 | 18.0° | 144.8° |
| C31 | C26 | C27 | H18 | 179.0° | 179.9° |
| C26 | C31 | C30 | H19 | 179.7° | 179.7° |
| C8 | C9 | C10 | C11 | 2.0° | 0.1° |
| C8 | C9 | C10 | C12 | 176.8° | 180.0° |
| C8 | C9 | C12 | C23 | 83.4° | 105.2° |
| C8 | C9 | C12 | N13 | 159.6° | 134.9° |
| C9 | C8 | C7 | H6 | 178.7° | 179.8° |
| C8 | C9 | C10 | H8 | 178.0° | 179.9° |
| C8 | C9 | C12 | H10 | 36.0° | 14.9° |
| C28 | C27 | C26 | H18 | 180.0° | 179.8° |
| C28 | C27 | C26 | N25 | 178.7° | 179.8° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | C12 | 178.8° | 180.0° |
| C27 | C26 | N25 | C23 | 18.4° | 144.7° |
| C27 | C26 | N25 | H17 | 161.7° | 35.2° |
| C27 | C26 | C31 | H20 | 179.1° | 179.7° |
| C26 | C27 | C28 | H23 | 179.7° | 179.7° |
| C26 | N25 | C23 | H17 | 180.0° | 179.9° |
| C26 | N25 | C23 | C12 | 170.6° | 175.9° |
| C26 | N25 | C23 | O24 | 9.7° | 4.2° |
| N25 | C26 | C27 | H18 | 1.3° | 0.0° |
| N25 | C26 | C31 | H20 | 1.2° | 0.2° |
| C10 | C9 | C12 | C23 | 93.3° | 74.9° |
| C10 | C9 | C12 | N13 | 23.6° | 45.1° |
| C10 | C9 | C8 | H7 | 179.7° | 180.0° |
| C9 | C10 | C11 | H9 | 178.0° | 180.0° |
| C10 | C9 | C12 | H10 | 147.2° | 165.1° |
| C9 | C12 | C23 | N25 | 100.1° | 80.0° |
| C9 | C12 | C23 | N13 | 120.4° | 120.0° |
| C9 | C12 | C23 | H10 | 119.6° | 120.1° |
| C9 | C12 | C23 | O24 | 80.2° | 99.9° |
| C9 | C12 | N13 | H10 | 123.4° | 120.0° |
| C9 | C12 | N13 | C14 | 170.1° | 80.6° |
| C12 | C9 | C8 | H7 | 2.8° | 0.1° |
| C12 | C9 | C10 | H8 | 1.2° | 0.0° |
| C9 | C12 | N13 | H21 | 9.9° | 99.4° |
| N25 | C23 | C12 | O24 | 179.7° | 179.9° |
| N25 | C23 | C12 | N13 | 139.5° | 160.0° |
| N25 | C23 | C12 | H10 | 19.5° | 40.1° |
| C23 | C12 | N13 | H10 | 119.6° | 120.0° |
| C23 | C12 | N13 | C14 | 53.1° | 159.4° |
| C12 | C23 | N25 | H17 | 9.4° | 4.0° |
| C23 | C12 | N13 | H21 | 126.9° | 20.6° |
| O24 | C23 | C12 | N13 | 40.2° | 20.0° |
| O24 | C23 | C12 | H10 | 160.2° | 140.0° |
| O24 | C23 | N25 | H17 | 170.3° | 175.9° |
| C12 | N13 | C14 | H21 | 180.0° | 180.0° |
| C12 | N13 | C14 | O15 | 5.8° | 5.0° |
| C12 | N13 | C14 | C16 | 171.8° | 175.0° |
| N13 | C14 | O15 | C16 | 177.4° | 180.0° |
| N13 | C14 | C16 | C17 | 115.8° | 180.0° |
| C14 | N13 | C12 | H10 | 66.4° | 39.4° |
| N13 | C14 | C16 | H11 | 4.7° | 60.0° |
| N13 | C14 | C16 | H12 | 123.6° | 60.0° |
| O15 | C14 | C16 | C17 | 66.4° | 0.0° |
| O15 | C14 | C16 | H11 | 173.0° | 120.0° |
| O15 | C14 | C16 | H12 | 54.1° | 120.0° |
| O15 | C14 | N13 | H21 | 174.2° | 175.0° |
| C14 | C16 | C17 | H11 | 120.5° | 120.0° |
| C14 | C16 | C17 | H12 | 120.6° | 120.0° |
| C14 | C16 | C17 | C22 | 66.6° | 90.0° |
| C14 | C16 | C17 | C18 | 115.3° | 89.7° |
| C14 | C16 | H11 | H12 | 118.4° | 120.0° |
| C16 | C14 | N13 | H21 | 8.1° | 5.0° |
| C16 | C17 | C22 | C18 | 178.0° | 179.7° |
| C16 | C17 | C22 | C21 | 178.8° | 180.0° |
| C16 | C17 | C18 | C19 | 179.1° | 179.7° |
| C17 | C16 | H11 | H12 | 118.3° | 120.0° |
| C16 | C17 | C22 | H16 | 1.2° | 0.3° |
| C16 | C17 | C18 | H22 | 0.9° | 0.0° |
| C17 | C22 | C21 | H16 | 180.0° | 179.7° |
| C17 | C22 | C21 | C20 | 0.2° | 0.1° |
| C22 | C17 | C18 | C19 | 1.0° | 0.6° |
| C22 | C17 | C16 | H11 | 53.9° | 30.0° |
| C22 | C17 | C16 | H12 | 172.8° | 150.0° |
| C17 | C22 | C21 | H15 | 179.8° | 180.0° |
| C22 | C17 | C18 | H22 | 179.0° | 179.7° |
| C21 | C22 | C17 | C18 | 0.7° | 0.3° |
| C22 | C21 | C20 | H15 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.8° | 0.1° |
| C22 | C21 | C20 | H14 | 179.3° | 180.0° |
| C17 | C18 | C19 | H22 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 0.5° | 0.6° |
| C18 | C17 | C16 | H11 | 124.1° | 150.3° |
| C18 | C17 | C16 | H12 | 5.2° | 30.2° |
| C17 | C18 | C19 | H13 | 179.6° | 179.7° |
| C18 | C17 | C22 | H16 | 179.3° | 180.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.4° |
| C21 | C20 | C19 | H14 | 180.0° | 179.9° |
| C21 | C20 | C19 | H13 | 179.5° | 180.0° |
| C20 | C21 | C22 | H16 | 179.8° | 179.8° |
| C18 | C19 | C20 | H13 | 180.0° | 179.6° |
| C18 | C19 | C20 | H14 | 179.6° | 179.7° |
| C19 | C20 | C21 | H15 | 179.2° | 179.9° |
| C20 | C19 | C18 | H22 | 179.6° | 179.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.7° | 60.0° |
| H1 | C1 | C2 | H5 | 59.7° | 60.0° |
| H2 | C1 | C2 | H4 | 60.3° | 60.0° |
| H2 | C1 | C2 | H5 | 179.7° | 180.0° |
| H3 | C1 | C2 | H4 | 179.7° | 180.0° |
| H3 | C1 | C2 | H5 | 60.3° | 60.0° |
| H6 | C7 | C8 | H7 | 1.3° | 0.3° |
| H8 | C10 | C11 | H9 | 2.0° | 0.0° |
| H10 | C12 | N13 | H21 | 113.6° | 140.6° |
| H13 | C19 | C20 | H14 | 0.4° | 0.1° |
| H13 | C19 | C18 | H22 | 0.4° | 0.0° |
| H14 | C20 | C21 | H15 | 0.8° | 0.0° |
| H15 | C21 | C22 | H16 | 0.2° | 0.3° |
| H18 | C27 | C28 | H23 | 0.4° | 0.0° |
| H19 | C30 | C31 | H20 | 0.3° | 0.1° |
