HBF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.34Å | 1.34Å | |
| C11 | C17 | sing | 1.48Å | 1.48Å | |
| C12 | C10 | sing | 1.48Å | 1.48Å | |
| C17 | C16 | sing | 1.41Å | 1.41Å | |
| C17 | C18 | sing | 1.41Å | 1.41Å | |
| C17 | FE1 | sing | 2.08Å | 2.08Å | |
| C16 | C15 | doub | 1.41Å | 1.41Å | |
| C16 | FE1 | sing | 2.08Å | 2.08Å | |
| C15 | C14 | sing | 1.42Å | 1.42Å | |
| C15 | FE1 | sing | 2.08Å | 2.08Å | |
| C14 | C18 | doub | 1.41Å | 1.41Å | |
| C14 | FE1 | sing | 2.08Å | 2.08Å | |
| C18 | FE1 | sing | 2.09Å | 2.09Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.52Å | 1.52Å | |
| C8 | C7 | sing | 1.52Å | 1.52Å | |
| C7 | C2 | sing | 1.52Å | 1.52Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | S1 | sing | 1.83Å | 1.83Å | |
| C4 | N2 | sing | 1.45Å | 1.45Å | |
| C4 | C5 | sing | 1.57Å | 1.57Å | |
| N2 | C3 | sing | 1.35Å | 1.35Å | |
| C3 | O3 | doub | 1.24Å | 1.24Å | |
| C3 | N1 | sing | 1.35Å | 1.35Å | |
| S1 | C6 | sing | 1.81Å | 1.81Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | N1 | sing | 1.44Å | 1.44Å | |
| C19 | C20 | sing | 1.41Å | 1.41Å | |
| C19 | C23 | doub | 1.41Å | 1.41Å | |
| C19 | FE1 | sing | 2.08Å | 2.08Å | |
| C20 | C21 | doub | 1.41Å | 1.41Å | |
| C20 | FE1 | sing | 2.08Å | 2.08Å | |
| C21 | C22 | sing | 1.41Å | 1.41Å | |
| C21 | FE1 | sing | 2.08Å | 2.08Å | |
| C22 | C23 | sing | 1.41Å | 1.41Å | |
| C22 | FE1 | sing | 2.09Å | 2.09Å | |
| C23 | FE1 | sing | 2.09Å | 2.09Å | |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H9 | sing | 1.10Å | 1.10Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| C9 | H11 | sing | 1.10Å | 1.10Å | |
| C9 | H12 | sing | 1.10Å | 1.10Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C8 | H14 | sing | 1.10Å | 1.10Å | |
| C7 | H15 | sing | 1.10Å | 1.10Å | |
| C7 | H16 | sing | 1.10Å | 1.10Å | |
| C2 | H17 | sing | 1.10Å | 1.10Å | |
| C4 | H18 | sing | 1.10Å | 1.10Å | |
| N2 | H19 | sing | 1.00Å | 1.00Å | |
| C6 | H20 | sing | 1.10Å | 1.10Å | |
| C6 | H21 | sing | 1.10Å | 1.10Å | |
| C5 | H22 | sing | 1.10Å | 1.10Å | |
| N1 | H23 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C17 | 115.9° | 115.9° |
| C11 | C12 | C10 | 154.3° | 154.3° |
| C12 | C11 | H1 | 122.1° | 122.1° |
| C11 | C12 | H3 | 102.8° | 102.8° |
| C11 | C17 | C16 | 121.3° | 121.3° |
| C11 | C17 | C18 | 127.9° | 127.9° |
| C11 | C17 | FE1 | 123.6° | 123.6° |
| C17 | C11 | H1 | 122.1° | 122.1° |
| C12 | C10 | C9 | 125.8° | 125.8° |
| C10 | C12 | H3 | 102.9° | 102.9° |
| C12 | C10 | H9 | 105.2° | 105.2° |
| C12 | C10 | H10 | 105.3° | 105.3° |
| C16 | C17 | C18 | 110.7° | 110.7° |
| C16 | C17 | FE1 | 70.4° | 70.4° |
| C17 | C16 | C15 | 106.2° | 106.2° |
| C17 | C16 | FE1 | 70.1° | 70.1° |
| C18 | C17 | FE1 | 70.3° | 70.3° |
| C17 | C18 | C14 | 105.7° | 105.7° |
| C17 | C18 | FE1 | 70.1° | 70.1° |
| C17 | FE1 | C16 | 39.5° | 39.5° |
| C17 | FE1 | C15 | 65.7° | 65.7° |
| C17 | FE1 | C14 | 65.5° | 65.5° |
| C17 | FE1 | C18 | 39.6° | 39.6° |
| C17 | FE1 | C19 | 172.4° | 172.4° |
| C17 | FE1 | C20 | 133.0° | 133.0° |
| C17 | FE1 | C21 | 109.3° | 109.3° |
| C17 | FE1 | C22 | 114.7° | 114.7° |
| C17 | FE1 | C23 | 145.5° | 145.5° |
| C15 | C16 | FE1 | 70.1° | 70.1° |
| C16 | C15 | C14 | 108.2° | 108.2° |
| C16 | C15 | FE1 | 70.2° | 70.2° |
| C16 | FE1 | C15 | 39.7° | 39.7° |
| C16 | FE1 | C14 | 66.8° | 66.8° |
| C16 | FE1 | C18 | 67.6° | 67.6° |
| C16 | FE1 | C19 | 134.6° | 134.6° |
| C16 | FE1 | C20 | 105.9° | 105.9° |
| C16 | FE1 | C21 | 108.1° | 108.1° |
| C16 | FE1 | C22 | 138.6° | 138.6° |
| C16 | FE1 | C23 | 172.8° | 172.8° |
| C14 | C15 | FE1 | 70.1° | 70.1° |
| C15 | C14 | C18 | 109.0° | 109.0° |
| C15 | C14 | FE1 | 70.1° | 70.1° |
| C15 | FE1 | C14 | 39.7° | 39.7° |
| C15 | FE1 | C18 | 67.1° | 67.1° |
| C15 | FE1 | C19 | 112.9° | 112.9° |
| C15 | FE1 | C20 | 110.6° | 110.6° |
| C15 | FE1 | C21 | 137.3° | 137.3° |
| C15 | FE1 | C22 | 176.8° | 176.8° |
| C15 | FE1 | C23 | 141.7° | 141.7° |
| C18 | C14 | FE1 | 70.2° | 70.2° |
| C14 | C18 | FE1 | 70.1° | 70.1° |
| C14 | FE1 | C18 | 39.7° | 39.7° |
| C14 | FE1 | C19 | 118.7° | 118.7° |
| C14 | FE1 | C20 | 142.4° | 142.4° |
| C14 | FE1 | C21 | 174.4° | 174.4° |
| C14 | FE1 | C22 | 143.4° | 143.4° |
| C14 | FE1 | C23 | 118.8° | 118.8° |
| C18 | FE1 | C19 | 147.6° | 147.6° |
| C18 | FE1 | C20 | 172.6° | 172.6° |
| C18 | FE1 | C21 | 137.3° | 137.3° |
| C18 | FE1 | C22 | 115.3° | 115.3° |
| C18 | FE1 | C23 | 119.5° | 119.5° |
| C10 | C9 | C8 | 115.1° | 115.1° |
| C9 | C10 | H9 | 105.3° | 105.3° |
| C9 | C10 | H10 | 105.2° | 105.2° |
| C10 | C9 | H11 | 108.1° | 108.1° |
| C10 | C9 | H12 | 108.0° | 108.0° |
| C9 | C8 | C7 | 114.2° | 114.2° |
| C8 | C9 | H11 | 108.0° | 108.0° |
| C8 | C9 | H12 | 108.0° | 108.0° |
| C9 | C8 | H13 | 108.3° | 108.3° |
| C9 | C8 | H14 | 108.3° | 108.3° |
| C8 | C7 | C2 | 108.7° | 108.7° |
| C7 | C8 | H13 | 108.3° | 108.3° |
| C7 | C8 | H14 | 108.3° | 108.3° |
| C8 | C7 | H15 | 109.7° | 109.7° |
| C8 | C7 | H16 | 109.7° | 109.7° |
| C7 | C2 | C4 | 116.0° | 116.0° |
| C7 | C2 | S1 | 111.5° | 111.5° |
| C2 | C7 | H15 | 109.7° | 109.7° |
| C2 | C7 | H16 | 109.7° | 109.7° |
| C7 | C2 | H17 | 109.9° | 109.9° |
| C4 | C2 | S1 | 102.6° | 102.6° |
| C2 | C4 | N2 | 113.6° | 113.6° |
| C2 | C4 | C5 | 109.4° | 109.4° |
| C4 | C2 | H17 | 109.8° | 109.8° |
| C2 | C4 | H18 | 110.3° | 110.2° |
| C2 | S1 | C6 | 92.9° | 92.9° |
| S1 | C2 | H17 | 106.5° | 106.5° |
| N2 | C4 | C5 | 102.1° | 102.1° |
| C4 | N2 | C3 | 113.3° | 113.3° |
| N2 | C4 | H18 | 111.4° | 111.5° |
| C4 | N2 | H19 | 123.3° | 123.3° |
| C4 | C5 | C6 | 111.4° | 111.4° |
| C4 | C5 | N1 | 102.9° | 102.9° |
| C5 | C4 | H18 | 109.8° | 109.8° |
| C4 | C5 | H22 | 109.6° | 109.6° |
| N2 | C3 | O3 | 124.4° | 124.4° |
| N2 | C3 | N1 | 108.8° | 108.8° |
| C3 | N2 | H19 | 123.4° | 123.4° |
| O3 | C3 | N1 | 126.7° | 126.7° |
| C3 | N1 | C5 | 112.7° | 112.7° |
| C3 | N1 | H23 | 123.6° | 123.6° |
| S1 | C6 | C5 | 103.4° | 103.4° |
| S1 | C6 | H20 | 111.0° | 111.0° |
| S1 | C6 | H21 | 111.0° | 111.0° |
| C6 | C5 | N1 | 111.6° | 111.6° |
| C5 | C6 | H20 | 111.0° | 111.0° |
| C5 | C6 | H21 | 111.0° | 111.0° |
| C6 | C5 | H22 | 110.0° | 110.0° |
| N1 | C5 | H22 | 111.3° | 111.3° |
| C5 | N1 | H23 | 123.6° | 123.6° |
| C20 | C19 | C23 | 108.6° | 108.6° |
| C20 | C19 | FE1 | 70.0° | 70.0° |
| C19 | C20 | C21 | 107.4° | 107.4° |
| C19 | C20 | FE1 | 70.3° | 70.3° |
| C23 | C19 | FE1 | 70.4° | 70.4° |
| C19 | C23 | C22 | 107.5° | 107.5° |
| C19 | C23 | FE1 | 69.9° | 69.9° |
| C19 | FE1 | C20 | 39.7° | 39.7° |
| C19 | FE1 | C21 | 66.3° | 66.3° |
| C19 | FE1 | C22 | 66.2° | 66.2° |
| C19 | FE1 | C23 | 39.6° | 39.6° |
| C21 | C20 | FE1 | 70.5° | 70.5° |
| C20 | C21 | C22 | 108.3° | 108.3° |
| C20 | C21 | FE1 | 69.9° | 69.9° |
| C20 | FE1 | C21 | 39.7° | 39.7° |
| C20 | FE1 | C22 | 66.7° | 66.7° |
| C20 | FE1 | C23 | 66.9° | 66.9° |
| C22 | C21 | FE1 | 70.4° | 70.4° |
| C21 | C22 | C23 | 108.2° | 108.2° |
| C21 | C22 | FE1 | 70.0° | 70.0° |
| C21 | FE1 | C22 | 39.6° | 39.6° |
| C21 | FE1 | C23 | 66.5° | 66.5° |
| C23 | C22 | FE1 | 70.2° | 70.2° |
| C22 | C23 | FE1 | 70.4° | 70.4° |
| C22 | FE1 | C23 | 39.5° | 39.5° |
| H9 | C10 | H10 | 109.5° | 109.5° |
| H11 | C9 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.4° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H20 | C6 | H21 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C17 | H1 | 180.0° | 180.0° |
| C11 | C12 | C10 | H3 | 180.0° | 180.0° |
| C12 | C11 | C17 | C16 | 140.4° | 140.4° |
| C12 | C11 | C17 | C18 | 43.2° | 43.2° |
| C12 | C11 | C17 | FE1 | 133.5° | 133.5° |
| C11 | C12 | C10 | C9 | 51.3° | 51.3° |
| C11 | C12 | C10 | H9 | 70.9° | 70.9° |
| C11 | C12 | C10 | H10 | 173.5° | 173.5° |
| C17 | C11 | C12 | C10 | 118.1° | 118.1° |
| C11 | C17 | C16 | C18 | 177.0° | 177.0° |
| C11 | C17 | C16 | FE1 | 118.1° | 118.1° |
| C11 | C17 | C18 | FE1 | 117.9° | 117.9° |
| C11 | C17 | C16 | C15 | 179.3° | 179.3° |
| C11 | C17 | FE1 | C15 | 154.0° | 154.0° |
| C11 | C17 | C18 | C14 | 179.3° | 179.3° |
| C11 | C17 | FE1 | C14 | 162.1° | 162.1° |
| C11 | C17 | FE1 | C19 | 72.8° | 72.8° |
| C11 | C17 | FE1 | C20 | 57.9° | 57.9° |
| C11 | C17 | FE1 | C21 | 19.9° | 19.9° |
| C11 | C17 | FE1 | C22 | 22.5° | 22.5° |
| C11 | C17 | FE1 | C23 | 56.3° | 56.3° |
| C17 | C11 | C12 | H3 | 61.9° | 61.9° |
| C12 | C10 | C9 | H9 | 122.2° | 122.2° |
| C12 | C10 | C9 | H10 | 122.2° | 122.2° |
| C12 | C10 | C9 | C8 | 54.7° | 54.7° |
| C10 | C12 | C11 | H1 | 61.9° | 61.9° |
| C12 | C10 | H9 | H10 | 112.7° | 112.7° |
| C12 | C10 | C9 | H11 | 175.5° | 175.5° |
| C12 | C10 | C9 | H12 | 66.1° | 66.1° |
| C16 | C17 | C18 | FE1 | 58.9° | 58.9° |
| C17 | C16 | C15 | FE1 | 61.2° | 61.2° |
| C17 | C16 | C15 | C14 | 1.1° | 1.1° |
| C16 | C17 | C18 | C14 | 2.5° | 2.5° |
| C17 | C16 | FE1 | C14 | 79.1° | 79.1° |
| C17 | C16 | FE1 | C19 | 172.8° | 172.8° |
| C17 | C16 | FE1 | C20 | 140.2° | 140.2° |
| C17 | C16 | FE1 | C21 | 98.6° | 98.6° |
| C17 | C16 | FE1 | C22 | 67.6° | 67.6° |
| C17 | C16 | FE1 | C23 | 138.2° | 138.2° |
| C16 | C17 | C11 | H1 | 39.6° | 39.6° |
| C18 | C17 | C16 | C15 | 2.3° | 2.3° |
| C17 | C18 | C14 | C15 | 1.8° | 1.8° |
| C17 | C18 | FE1 | C15 | 79.0° | 79.0° |
| C17 | C18 | C14 | FE1 | 61.4° | 61.4° |
| C17 | C18 | FE1 | C19 | 176.1° | 176.1° |
| C17 | C18 | FE1 | C20 | 5.2° | 5.2° |
| C17 | C18 | FE1 | C21 | 56.9° | 56.9° |
| C17 | C18 | FE1 | C22 | 98.8° | 98.8° |
| C17 | C18 | FE1 | C23 | 143.3° | 143.3° |
| C18 | C17 | C11 | H1 | 136.8° | 136.8° |
| C17 | FE1 | C14 | C15 | 80.9° | 80.9° |
| C17 | FE1 | C15 | C19 | 171.8° | 171.8° |
| C17 | FE1 | C15 | C20 | 129.0° | 129.0° |
| C17 | FE1 | C15 | C21 | 92.6° | 92.6° |
| C17 | FE1 | C15 | C22 | 97.9° | 97.9° |
| C17 | FE1 | C15 | C23 | 152.5° | 152.5° |
| C17 | FE1 | C14 | C19 | 172.9° | 172.9° |
| C17 | FE1 | C14 | C20 | 129.5° | 129.5° |
| C17 | FE1 | C14 | C21 | 20.3° | 20.3° |
| C17 | FE1 | C14 | C22 | 99.0° | 99.0° |
| C17 | FE1 | C14 | C23 | 141.6° | 141.6° |
| C17 | FE1 | C20 | C19 | 176.9° | 176.9° |
| C17 | FE1 | C23 | C19 | 170.8° | 170.8° |
| C17 | FE1 | C19 | C21 | 55.3° | 55.3° |
| C17 | FE1 | C19 | C22 | 98.7° | 98.7° |
| C17 | FE1 | C21 | C20 | 135.2° | 135.2° |
| C17 | FE1 | C20 | C22 | 102.7° | 102.7° |
| C17 | FE1 | C20 | C23 | 145.9° | 145.9° |
| C17 | FE1 | C22 | C21 | 90.8° | 90.8° |
| C17 | FE1 | C21 | C23 | 143.2° | 143.2° |
| C17 | FE1 | C23 | C22 | 52.7° | 52.7° |
| FE1 | C17 | C11 | H1 | 46.5° | 46.5° |
| C16 | C15 | C14 | FE1 | 60.1° | 60.1° |
| C16 | C15 | C14 | C18 | 0.5° | 0.5° |
| C16 | C15 | FE1 | C18 | 82.0° | 82.0° |
| C16 | C15 | FE1 | C19 | 133.2° | 133.2° |
| C16 | C15 | FE1 | C20 | 90.3° | 90.3° |
| C16 | C15 | FE1 | C21 | 53.9° | 53.9° |
| C16 | C15 | FE1 | C22 | 59.3° | 59.3° |
| C16 | C15 | FE1 | C23 | 168.8° | 168.8° |
| C16 | FE1 | C18 | C14 | 80.1° | 80.1° |
| C16 | FE1 | C14 | C19 | 129.5° | 129.5° |
| C16 | FE1 | C14 | C20 | 86.1° | 86.1° |
| C16 | FE1 | C14 | C21 | 23.1° | 23.1° |
| C16 | FE1 | C14 | C22 | 142.4° | 142.4° |
| C16 | FE1 | C14 | C23 | 175.1° | 175.1° |
| C16 | FE1 | C18 | C19 | 140.3° | 140.3° |
| C16 | FE1 | C18 | C20 | 30.7° | 30.7° |
| C16 | FE1 | C18 | C21 | 92.8° | 92.8° |
| C16 | FE1 | C18 | C22 | 134.6° | 134.6° |
| C16 | FE1 | C18 | C23 | 179.2° | 179.2° |
| C16 | FE1 | C20 | C19 | 143.1° | 143.1° |
| C16 | FE1 | C23 | C19 | 39.3° | 39.3° |
| C16 | FE1 | C19 | C21 | 92.4° | 92.4° |
| C16 | FE1 | C19 | C22 | 135.8° | 135.8° |
| C16 | FE1 | C21 | C20 | 93.4° | 93.4° |
| C16 | FE1 | C20 | C22 | 136.6° | 136.6° |
| C16 | FE1 | C20 | C23 | 179.7° | 179.7° |
| C16 | FE1 | C22 | C21 | 50.4° | 50.4° |
| C16 | FE1 | C21 | C23 | 175.0° | 175.0° |
| C16 | FE1 | C23 | C22 | 78.7° | 78.7° |
| C15 | C14 | C18 | FE1 | 59.6° | 59.6° |
| C15 | C14 | FE1 | C19 | 92.1° | 92.1° |
| C15 | C14 | FE1 | C20 | 48.6° | 48.6° |
| C15 | C14 | FE1 | C21 | 60.6° | 60.6° |
| C15 | C14 | FE1 | C22 | 179.8° | 179.8° |
| C15 | C14 | FE1 | C23 | 137.6° | 137.6° |
| C15 | FE1 | C18 | C19 | 97.1° | 97.1° |
| C15 | FE1 | C18 | C20 | 73.8° | 73.8° |
| C15 | FE1 | C18 | C21 | 135.9° | 135.9° |
| C15 | FE1 | C18 | C22 | 177.8° | 177.8° |
| C15 | FE1 | C18 | C23 | 137.7° | 137.7° |
| C15 | FE1 | C20 | C19 | 101.4° | 101.4° |
| C15 | FE1 | C23 | C19 | 57.2° | 57.2° |
| C15 | FE1 | C19 | C21 | 133.3° | 133.3° |
| C15 | FE1 | C19 | C22 | 176.7° | 176.7° |
| C15 | FE1 | C21 | C20 | 60.5° | 60.5° |
| C15 | FE1 | C20 | C22 | 178.2° | 178.2° |
| C15 | FE1 | C20 | C23 | 138.6° | 138.6° |
| C15 | FE1 | C22 | C21 | 5.7° | 5.7° |
| C15 | FE1 | C21 | C23 | 142.2° | 142.2° |
| C15 | FE1 | C23 | C22 | 175.3° | 175.3° |
| C14 | C18 | FE1 | C19 | 60.2° | 60.2° |
| C14 | C18 | FE1 | C20 | 110.8° | 110.8° |
| C14 | C18 | FE1 | C21 | 172.9° | 172.9° |
| C14 | C18 | FE1 | C22 | 145.2° | 145.2° |
| C14 | C18 | FE1 | C23 | 100.7° | 100.7° |
| C14 | FE1 | C20 | C19 | 70.6° | 70.6° |
| C14 | FE1 | C23 | C19 | 101.2° | 101.2° |
| C14 | FE1 | C19 | C21 | 177.2° | 177.2° |
| C14 | FE1 | C19 | C22 | 139.4° | 139.4° |
| C14 | FE1 | C21 | C20 | 115.7° | 115.7° |
| C14 | FE1 | C20 | C22 | 150.9° | 150.9° |
| C14 | FE1 | C20 | C23 | 107.8° | 107.8° |
| C14 | FE1 | C22 | C21 | 172.3° | 172.3° |
| C14 | FE1 | C21 | C23 | 162.7° | 162.7° |
| C14 | FE1 | C23 | C22 | 140.7° | 140.7° |
| C18 | FE1 | C20 | C19 | 172.5° | 172.5° |
| C18 | FE1 | C23 | C19 | 147.0° | 147.0° |
| C18 | FE1 | C19 | C21 | 143.7° | 143.7° |
| C18 | FE1 | C19 | C22 | 100.3° | 100.3° |
| C18 | FE1 | C21 | C20 | 169.7° | 169.7° |
| C18 | FE1 | C20 | C22 | 107.2° | 107.2° |
| C18 | FE1 | C20 | C23 | 150.3° | 150.3° |
| C18 | FE1 | C22 | C21 | 134.7° | 134.7° |
| C18 | FE1 | C21 | C23 | 108.7° | 108.7° |
| C18 | FE1 | C23 | C22 | 95.0° | 95.0° |
| C10 | C9 | C8 | H11 | 120.9° | 120.8° |
| C10 | C9 | C8 | H12 | 120.8° | 120.8° |
| C10 | C9 | C8 | C7 | 128.3° | 128.3° |
| C9 | C10 | C12 | H3 | 128.7° | 128.7° |
| C9 | C10 | H9 | H10 | 112.7° | 112.7° |
| C10 | C9 | H11 | H12 | 117.4° | 117.4° |
| C10 | C9 | C8 | H13 | 111.0° | 111.0° |
| C10 | C9 | C8 | H14 | 7.6° | 7.6° |
| C9 | C8 | C7 | H13 | 120.7° | 120.7° |
| C9 | C8 | C7 | H14 | 120.7° | 120.7° |
| C9 | C8 | C7 | C2 | 168.2° | 168.2° |
| C8 | C9 | C10 | H9 | 67.5° | 67.5° |
| C8 | C9 | C10 | H10 | 176.9° | 176.9° |
| C8 | C9 | H11 | H12 | 117.4° | 117.4° |
| C9 | C8 | H13 | H14 | 117.9° | 117.9° |
| C9 | C8 | C7 | H15 | 71.9° | 71.9° |
| C9 | C8 | C7 | H16 | 48.3° | 48.3° |
| C8 | C7 | C2 | H15 | 119.9° | 119.9° |
| C8 | C7 | C2 | H16 | 119.9° | 119.9° |
| C8 | C7 | C2 | C4 | 161.7° | 161.7° |
| C8 | C7 | C2 | S1 | 81.4° | 81.4° |
| C7 | C8 | C9 | H11 | 7.4° | 7.5° |
| C7 | C8 | C9 | H12 | 110.9° | 110.9° |
| C7 | C8 | H13 | H14 | 117.9° | 117.9° |
| C8 | C7 | H15 | H16 | 120.4° | 120.4° |
| C8 | C7 | C2 | H17 | 36.5° | 36.5° |
| C7 | C2 | C4 | S1 | 121.8° | 121.8° |
| C7 | C2 | C4 | H17 | 125.3° | 125.3° |
| C7 | C2 | S1 | H17 | 119.8° | 119.8° |
| C7 | C2 | C4 | N2 | 40.5° | 40.5° |
| C7 | C2 | C4 | C5 | 153.8° | 153.8° |
| C7 | C2 | S1 | C6 | 166.5° | 166.5° |
| C2 | C7 | C8 | H13 | 47.5° | 47.5° |
| C2 | C7 | C8 | H14 | 71.1° | 71.1° |
| C2 | C7 | H15 | H16 | 120.4° | 120.4° |
| C7 | C2 | C4 | H18 | 85.4° | 85.4° |
| C4 | C2 | S1 | H17 | 115.4° | 115.4° |
| C2 | C4 | N2 | C5 | 117.6° | 117.6° |
| C2 | C4 | N2 | H18 | 125.3° | 125.2° |
| C2 | C4 | C5 | H18 | 121.1° | 121.0° |
| C2 | C4 | N2 | C3 | 120.5° | 120.5° |
| C4 | C2 | S1 | C6 | 41.7° | 41.7° |
| C2 | C4 | C5 | C6 | 5.3° | 5.3° |
| C2 | C4 | C5 | N1 | 124.9° | 124.9° |
| C4 | C2 | C7 | H15 | 41.8° | 41.8° |
| C4 | C2 | C7 | H16 | 78.4° | 78.4° |
| C2 | C4 | N2 | H19 | 59.4° | 59.4° |
| C2 | C4 | C5 | H22 | 116.6° | 116.6° |
| S1 | C2 | C4 | N2 | 81.3° | 81.3° |
| S1 | C2 | C4 | C5 | 32.0° | 32.0° |
| C2 | S1 | C6 | C5 | 38.5° | 38.5° |
| S1 | C2 | C7 | H15 | 158.8° | 158.8° |
| S1 | C2 | C7 | H16 | 38.5° | 38.5° |
| S1 | C2 | C4 | H18 | 152.8° | 152.8° |
| C2 | S1 | C6 | H20 | 157.6° | 157.5° |
| C2 | S1 | C6 | H21 | 80.5° | 80.5° |
| N2 | C4 | C5 | H18 | 118.3° | 118.4° |
| C4 | N2 | C3 | H19 | 180.0° | 180.0° |
| C4 | N2 | C3 | O3 | 177.3° | 177.3° |
| C4 | N2 | C3 | N1 | 0.1° | 0.1° |
| N2 | C4 | C5 | C6 | 115.3° | 115.3° |
| N2 | C4 | C5 | N1 | 4.3° | 4.3° |
| N2 | C4 | C2 | H17 | 165.8° | 165.8° |
| N2 | C4 | C5 | H22 | 122.8° | 122.8° |
| C5 | C4 | N2 | C3 | 2.9° | 2.9° |
| C4 | C5 | N1 | C3 | 4.7° | 4.7° |
| C4 | C5 | C6 | S1 | 24.4° | 24.4° |
| C4 | C5 | C6 | N1 | 114.3° | 114.3° |
| C4 | C5 | C6 | H22 | 121.7° | 121.7° |
| C4 | C5 | N1 | H22 | 117.2° | 117.2° |
| C5 | C4 | C2 | H17 | 80.9° | 80.9° |
| C5 | C4 | N2 | H19 | 177.1° | 177.1° |
| C4 | C5 | C6 | H20 | 143.5° | 143.4° |
| C4 | C5 | C6 | H21 | 94.6° | 94.6° |
| C4 | C5 | N1 | H23 | 175.3° | 175.3° |
| N2 | C3 | O3 | N1 | 176.6° | 176.6° |
| N2 | C3 | N1 | C5 | 3.1° | 3.1° |
| C3 | N2 | C4 | H18 | 114.2° | 114.2° |
| N2 | C3 | N1 | H23 | 176.9° | 176.9° |
| O3 | C3 | N1 | C5 | 173.9° | 173.9° |
| O3 | C3 | N2 | H19 | 2.7° | 2.7° |
| O3 | C3 | N1 | H23 | 6.1° | 6.1° |
| C3 | N1 | C5 | C6 | 114.8° | 114.8° |
| C3 | N1 | C5 | H23 | 180.0° | 180.0° |
| N1 | C3 | N2 | H19 | 179.8° | 179.8° |
| C3 | N1 | C5 | H22 | 121.9° | 121.9° |
| S1 | C6 | C5 | H20 | 119.0° | 119.0° |
| S1 | C6 | C5 | H21 | 119.1° | 119.1° |
| S1 | C6 | C5 | N1 | 89.9° | 89.9° |
| C6 | S1 | C2 | H17 | 73.7° | 73.7° |
| S1 | C6 | H20 | H21 | 122.8° | 122.8° |
| S1 | C6 | C5 | H22 | 146.1° | 146.1° |
| C6 | C5 | N1 | H22 | 123.3° | 123.3° |
| C6 | C5 | C4 | H18 | 126.4° | 126.3° |
| C5 | C6 | H20 | H21 | 122.8° | 122.8° |
| C6 | C5 | N1 | H23 | 65.2° | 65.2° |
| N1 | C5 | C4 | H18 | 114.0° | 114.0° |
| N1 | C5 | C6 | H20 | 29.2° | 29.1° |
| N1 | C5 | C6 | H21 | 151.1° | 151.1° |
| C20 | C19 | C23 | FE1 | 59.8° | 59.8° |
| C19 | C20 | C21 | FE1 | 60.9° | 60.9° |
| C19 | C20 | C21 | C22 | 0.7° | 0.7° |
| C20 | C19 | C23 | C22 | 0.8° | 0.8° |
| C19 | C20 | FE1 | C22 | 80.3° | 80.3° |
| C23 | C19 | C20 | C21 | 0.9° | 0.9° |
| C19 | C23 | C22 | C21 | 0.4° | 0.4° |
| C19 | C23 | FE1 | C21 | 80.7° | 80.7° |
| C19 | C23 | C22 | FE1 | 60.3° | 60.3° |
| C19 | FE1 | C22 | C21 | 81.0° | 81.0° |
| C20 | C21 | C22 | FE1 | 59.8° | 59.8° |
| C20 | C21 | C22 | C23 | 0.2° | 0.2° |
| C20 | C21 | FE1 | C23 | 81.6° | 81.6° |
| C20 | FE1 | C23 | C22 | 80.8° | 80.8° |
| C21 | C22 | C23 | FE1 | 60.0° | 60.0° |
| H1 | C11 | C12 | H3 | 118.1° | 118.1° |
| H3 | C12 | C10 | H9 | 109.1° | 109.1° |
| H3 | C12 | C10 | H10 | 6.5° | 6.5° |
| H9 | C10 | C9 | H11 | 53.3° | 53.3° |
| H9 | C10 | C9 | H12 | 171.7° | 171.7° |
| H10 | C10 | C9 | H11 | 62.3° | 62.3° |
| H10 | C10 | C9 | H12 | 56.1° | 56.1° |
| H11 | C9 | C8 | H13 | 128.2° | 128.2° |
| H11 | C9 | C8 | H14 | 113.3° | 113.2° |
| H12 | C9 | C8 | H13 | 9.8° | 9.8° |
| H12 | C9 | C8 | H14 | 128.4° | 128.4° |
| H13 | C8 | C7 | H15 | 167.4° | 167.4° |
| H13 | C8 | C7 | H16 | 72.4° | 72.4° |
| H14 | C8 | C7 | H15 | 48.8° | 48.8° |
| H14 | C8 | C7 | H16 | 169.0° | 169.0° |
| H15 | C7 | C2 | H17 | 83.4° | 83.4° |
| H16 | C7 | C2 | H17 | 156.3° | 156.3° |
| H17 | C2 | C4 | H18 | 39.9° | 39.9° |
| H18 | C4 | N2 | H19 | 65.8° | 65.8° |
| H18 | C4 | C5 | H22 | 4.4° | 4.4° |
| H20 | C6 | C5 | H22 | 94.9° | 94.9° |
| H21 | C6 | C5 | H22 | 27.1° | 27.1° |
| H22 | C5 | N1 | H23 | 58.1° | 58.1° |
