BTF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.49Å | Aromatic |
| C1 | C5 | sing | 1.39Å | 1.44Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.54Å | Aromatic |
| C3 | N1 | doub | 1.33Å | 1.43Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.48Å | Aromatic |
| N1 | FE1 | sing | 2.04Å | 2.11Å | |
| C4 | C5 | doub | 1.39Å | 1.50Å | Aromatic |
| C4 | C9 | sing | 1.48Å | 1.52Å | |
| C6 | C7 | doub | 1.39Å | 1.52Å | Aromatic |
| C6 | C10 | sing | 1.38Å | 1.47Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.48Å | Aromatic |
| C7 | C15 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | doub | 1.39Å | 1.48Å | Aromatic |
| C9 | N2 | sing | 1.33Å | 1.47Å | Aromatic |
| N2 | C10 | doub | 1.34Å | 1.49Å | Aromatic |
| N2 | FE1 | sing | 2.03Å | 2.15Å | |
| FE1 | C11 | sing | 1.91Å | 2.09Å | |
| FE1 | C12 | sing | 1.91Å | 2.09Å | |
| FE1 | C13 | sing | 1.95Å | 2.08Å | |
| FE1 | C14 | sing | 1.96Å | 2.11Å | |
| N3 | C11 | trip | 1.25Å | 1.35Å | |
| N4 | C12 | trip | 1.25Å | 1.39Å | |
| N5 | C13 | trip | 1.25Å | 1.37Å | |
| N6 | C14 | trip | 1.25Å | 1.38Å | |
| C15 | N7 | sing | 1.46Å | 1.38Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | C19 | sing | 1.54Å | 1.85Å | |
| C17 | C18 | sing | 1.52Å | 1.53Å | |
| C18 | N7 | sing | 1.34Å | 1.34Å | |
| C18 | O1 | doub | 1.24Å | 1.32Å | |
| C19 | C20 | sing | 1.54Å | 1.67Å | |
| C20 | C21 | sing | 1.54Å | 1.58Å | |
| C21 | C23 | sing | 1.57Å | 1.56Å | |
| C21 | S1 | sing | 1.82Å | 1.83Å | |
| C22 | C24 | sing | 1.53Å | 1.50Å | |
| C22 | S1 | sing | 1.79Å | 1.83Å | |
| C23 | C24 | sing | 1.55Å | 1.50Å | |
| C23 | N9 | sing | 1.45Å | 1.50Å | |
| C24 | N8 | sing | 1.45Å | 1.48Å | |
| C25 | O2 | doub | 1.24Å | 1.25Å | |
| C25 | N8 | sing | 1.35Å | 1.34Å | |
| C25 | N9 | sing | 1.35Å | 1.36Å | |
| C1 | C26 | sing | 1.51Å | 1.54Å | |
| C2 | H2 | sing | 0.94Å | 1.08Å | |
| C3 | H3 | sing | 0.95Å | 1.08Å | |
| C5 | H4 | sing | 0.94Å | 1.08Å | |
| C6 | H5 | sing | 0.94Å | 1.08Å | |
| C8 | H6 | sing | 0.94Å | 1.08Å | |
| C10 | H7 | sing | 0.95Å | 1.08Å | |
| C15 | H24 | sing | 0.98Å | 1.10Å | |
| C15 | H25 | sing | 0.98Å | 1.10Å | |
| C16 | H26 | sing | 0.98Å | 1.10Å | |
| C16 | H27 | sing | 0.98Å | 1.10Å | |
| C17 | H28 | sing | 0.98Å | 1.10Å | |
| C17 | H29 | sing | 0.98Å | 1.10Å | |
| C19 | H30 | sing | 0.98Å | 1.10Å | |
| C19 | H31 | sing | 0.98Å | 1.10Å | |
| C20 | H32 | sing | 0.98Å | 1.10Å | |
| C20 | H33 | sing | 0.98Å | 1.10Å | |
| C21 | H34 | sing | 1.00Å | 1.10Å | |
| C22 | H35 | sing | 0.99Å | 1.10Å | |
| C22 | H36 | sing | 0.99Å | 1.10Å | |
| C23 | H37 | sing | 0.99Å | 1.10Å | |
| C24 | H38 | sing | 0.99Å | 1.10Å | |
| N7 | H39 | sing | 0.89Å | 1.00Å | |
| N8 | H40 | sing | 0.86Å | 1.00Å | |
| N9 | H41 | sing | 0.86Å | 1.00Å | |
| C26 | H251 | sing | 0.97Å | 1.10Å | |
| C26 | H261 | sing | 0.97Å | 1.10Å | |
| C26 | H271 | sing | 0.97Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 120.7° | 116.8° |
| C1 | C2 | C3 | 119.3° | 119.6° |
| C2 | C1 | C26 | 114.4° | 121.8° |
| C1 | C2 | H2 | 120.4° | 120.2° |
| C1 | C5 | C4 | 119.7° | 119.6° |
| C5 | C1 | C26 | 124.6° | 121.4° |
| C1 | C5 | H4 | 120.2° | 120.1° |
| C2 | C3 | N1 | 118.7° | 123.7° |
| C3 | C2 | H2 | 120.4° | 120.2° |
| C2 | C3 | H3 | 120.7° | 118.3° |
| C3 | N1 | C4 | 121.7° | 116.9° |
| C3 | N1 | FE1 | 126.7° | 124.5° |
| N1 | C3 | H3 | 120.7° | 117.9° |
| C4 | N1 | FE1 | 111.6° | 91.5° |
| N1 | C4 | C5 | 120.0° | 123.4° |
| N1 | C4 | C9 | 116.6° | 113.6° |
| N1 | FE1 | N2 | 84.3° | 90.8° |
| N1 | FE1 | C11 | 176.1° | 176.2° |
| N1 | FE1 | C12 | 99.9° | 93.7° |
| N1 | FE1 | C13 | 99.2° | 91.9° |
| N1 | FE1 | C14 | 87.6° | 94.0° |
| C5 | C4 | C9 | 123.4° | 123.0° |
| C4 | C5 | H4 | 120.1° | 120.3° |
| C4 | C9 | C8 | 123.6° | 122.1° |
| C4 | C9 | N2 | 117.1° | 111.3° |
| C7 | C6 | C10 | 119.4° | 119.0° |
| C6 | C7 | C8 | 120.3° | 117.2° |
| C6 | C7 | C15 | 121.7° | 122.8° |
| C7 | C6 | H5 | 120.3° | 120.5° |
| C6 | C10 | N2 | 119.2° | 123.2° |
| C10 | C6 | H5 | 120.3° | 120.5° |
| C6 | C10 | H7 | 120.4° | 118.5° |
| C8 | C7 | C15 | 118.0° | 120.0° |
| C7 | C8 | C9 | 119.8° | 119.0° |
| C7 | C8 | H6 | 120.1° | 119.8° |
| C7 | C15 | N7 | 110.0° | 112.5° |
| C7 | C15 | H24 | 109.4° | 108.9° |
| C7 | C15 | H25 | 109.4° | 109.5° |
| C8 | C9 | N2 | 119.3° | 121.2° |
| C9 | C8 | H6 | 120.1° | 119.6° |
| C9 | N2 | C10 | 122.0° | 116.7° |
| C9 | N2 | FE1 | 110.4° | 96.7° |
| C10 | N2 | FE1 | 127.6° | 127.0° |
| N2 | C10 | H7 | 120.4° | 118.1° |
| N2 | FE1 | C11 | 99.3° | 92.8° |
| N2 | FE1 | C12 | 175.8° | 175.5° |
| N2 | FE1 | C13 | 94.1° | 92.1° |
| N2 | FE1 | C14 | 84.2° | 92.1° |
| C11 | FE1 | C12 | 76.6° | 82.7° |
| C11 | FE1 | C13 | 82.4° | 87.0° |
| C11 | FE1 | C14 | 91.0° | 86.9° |
| FE1 | C11 | N3 | 172.8° | 179.7° |
| C12 | FE1 | C13 | 86.3° | 87.0° |
| C12 | FE1 | C14 | 95.0° | 88.3° |
| FE1 | C12 | N4 | 174.2° | 179.6° |
| C13 | FE1 | C14 | 172.8° | 172.7° |
| FE1 | C13 | N5 | 173.2° | 172.5° |
| FE1 | C14 | N6 | 174.7° | 179.9° |
| C15 | N7 | C18 | 118.6° | 125.7° |
| N7 | C15 | H24 | 109.3° | 108.8° |
| N7 | C15 | H25 | 109.3° | 109.4° |
| C15 | N7 | H39 | 120.7° | 114.4° |
| C17 | C16 | C19 | 96.0° | 117.8° |
| C16 | C17 | C18 | 108.9° | 112.5° |
| C17 | C16 | H26 | 112.7° | 108.2° |
| C17 | C16 | H27 | 112.7° | 107.9° |
| C16 | C17 | H28 | 109.6° | 109.0° |
| C16 | C17 | H29 | 109.6° | 109.1° |
| C16 | C19 | C20 | 125.9° | 115.4° |
| C19 | C16 | H26 | 112.7° | 107.6° |
| C19 | C16 | H27 | 112.7° | 107.9° |
| C16 | C19 | H30 | 105.2° | 108.5° |
| C16 | C19 | H31 | 105.2° | 108.2° |
| C17 | C18 | N7 | 119.6° | 117.7° |
| C17 | C18 | O1 | 121.3° | 119.9° |
| C18 | C17 | H28 | 109.6° | 108.8° |
| C18 | C17 | H29 | 109.6° | 109.5° |
| N7 | C18 | O1 | 118.4° | 122.5° |
| C18 | N7 | H39 | 120.7° | 119.8° |
| C19 | C20 | C21 | 106.5° | 117.9° |
| C20 | C19 | H30 | 105.2° | 109.3° |
| C20 | C19 | H31 | 105.2° | 108.5° |
| C19 | C20 | H32 | 110.2° | 107.5° |
| C19 | C20 | H33 | 110.2° | 108.3° |
| C20 | C21 | C23 | 108.6° | 119.7° |
| C20 | C21 | S1 | 121.8° | 112.2° |
| C21 | C20 | H32 | 110.2° | 107.8° |
| C21 | C20 | H33 | 110.2° | 108.2° |
| C20 | C21 | H34 | 109.9° | 107.7° |
| C23 | C21 | S1 | 98.7° | 101.8° |
| C21 | C23 | C24 | 114.8° | 108.1° |
| C21 | C23 | N9 | 114.4° | 116.9° |
| C23 | C21 | H34 | 110.1° | 107.3° |
| C21 | C23 | H37 | 108.2° | 110.1° |
| C21 | S1 | C22 | 88.8° | 91.5° |
| S1 | C21 | H34 | 107.0° | 107.5° |
| C24 | C22 | S1 | 105.6° | 107.5° |
| C22 | C24 | C23 | 105.5° | 109.6° |
| C22 | C24 | N8 | 116.6° | 113.4° |
| C24 | C22 | H35 | 110.5° | 110.2° |
| C24 | C22 | H36 | 110.4° | 110.2° |
| C22 | C24 | H38 | 110.1° | 110.5° |
| S1 | C22 | H35 | 110.4° | 110.3° |
| S1 | C22 | H36 | 110.5° | 110.2° |
| C24 | C23 | N9 | 101.5° | 101.7° |
| C23 | C24 | N8 | 103.8° | 102.2° |
| C24 | C23 | H37 | 108.8° | 110.1° |
| C23 | C24 | H38 | 110.1° | 110.7° |
| C23 | N9 | C25 | 114.2° | 113.3° |
| N9 | C23 | H37 | 108.8° | 109.6° |
| C23 | N9 | H41 | 122.9° | 124.9° |
| C24 | N8 | C25 | 114.5° | 113.0° |
| N8 | C24 | H38 | 110.4° | 110.1° |
| C24 | N8 | H40 | 122.7° | 124.6° |
| O2 | C25 | N8 | 128.2° | 126.0° |
| O2 | C25 | N9 | 125.7° | 126.2° |
| N8 | C25 | N9 | 106.1° | 107.8° |
| C25 | N8 | H40 | 122.8° | 122.4° |
| C25 | N9 | H41 | 122.9° | 121.7° |
| C1 | C26 | H251 | 109.5° | 109.9° |
| C1 | C26 | H261 | 109.5° | 109.7° |
| C1 | C26 | H271 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.4° | 107.7° |
| H26 | C16 | H27 | 109.4° | 107.0° |
| H28 | C17 | H29 | 109.5° | 107.8° |
| H30 | C19 | H31 | 109.5° | 106.7° |
| H32 | C20 | H33 | 109.5° | 106.6° |
| H35 | C22 | H36 | 109.5° | 108.4° |
| H251 | C26 | H261 | 109.4° | 109.2° |
| H251 | C26 | H271 | 109.4° | 109.3° |
| H261 | C26 | H271 | 109.5° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | C26 | 174.5° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 179.2° |
| C1 | C2 | C3 | N1 | 0.1° | 2.7° |
| C2 | C1 | C5 | C4 | 0.2° | 1.0° |
| C1 | C2 | C3 | H3 | 179.9° | 179.1° |
| C2 | C1 | C5 | H4 | 179.8° | 179.5° |
| C2 | C1 | C26 | H251 | 180.0° | 154.5° |
| C2 | C1 | C26 | H261 | 60.0° | 34.4° |
| C2 | C1 | C26 | H271 | 60.0° | 85.4° |
| C5 | C1 | C2 | C3 | 0.1° | 0.6° |
| C1 | C5 | C4 | N1 | 0.4° | 0.7° |
| C1 | C5 | C4 | H4 | 180.0° | 178.6° |
| C1 | C5 | C4 | C9 | 179.5° | 178.9° |
| C5 | C1 | C2 | H2 | 179.9° | 179.8° |
| C5 | C1 | C26 | H251 | 5.2° | 25.6° |
| C5 | C1 | C26 | H261 | 125.2° | 145.6° |
| C5 | C1 | C26 | H271 | 114.8° | 94.5° |
| C2 | C3 | N1 | H3 | 180.0° | 176.4° |
| C2 | C3 | N1 | C4 | 0.1° | 3.0° |
| C2 | C3 | N1 | FE1 | 179.6° | 109.7° |
| C3 | C2 | C1 | C26 | 175.1° | 179.5° |
| C3 | N1 | C4 | FE1 | 179.6° | 130.4° |
| C3 | N1 | C4 | C5 | 0.4° | 1.3° |
| C3 | N1 | C4 | C9 | 179.5° | 177.1° |
| C3 | N1 | FE1 | N2 | 179.3° | 147.8° |
| C3 | N1 | FE1 | C11 | 25.8° | 47.3° |
| C3 | N1 | FE1 | C12 | 0.3° | 32.9° |
| C3 | N1 | FE1 | C13 | 87.5° | 120.1° |
| C3 | N1 | FE1 | C14 | 94.9° | 55.6° |
| N1 | C3 | C2 | H2 | 179.9° | 178.1° |
| N1 | C4 | C5 | C9 | 179.9° | 178.2° |
| N1 | C4 | C9 | C8 | 179.7° | 79.6° |
| N1 | C4 | C9 | N2 | 0.3° | 74.7° |
| C4 | N1 | FE1 | N2 | 0.2° | 23.2° |
| C4 | N1 | FE1 | C11 | 153.7° | 171.9° |
| C4 | N1 | FE1 | C12 | 179.3° | 157.5° |
| C4 | N1 | FE1 | C13 | 93.0° | 115.3° |
| C4 | N1 | FE1 | C14 | 84.6° | 69.0° |
| C4 | N1 | C3 | H3 | 179.9° | 179.4° |
| N1 | C4 | C5 | H4 | 179.6° | 179.2° |
| FE1 | N1 | C4 | C5 | 179.9° | 129.2° |
| FE1 | N1 | C4 | C9 | 0.0° | 52.4° |
| N1 | FE1 | N2 | C9 | 0.4° | 9.7° |
| N1 | FE1 | N2 | C10 | 179.5° | 140.7° |
| N1 | FE1 | N2 | C11 | 178.2° | 179.0° |
| N1 | FE1 | N2 | C12 | 167.0° | 171.2° |
| N1 | FE1 | N2 | C13 | 98.8° | 91.9° |
| N1 | FE1 | N2 | C14 | 88.2° | 94.0° |
| N1 | FE1 | C11 | C12 | 25.9° | 14.5° |
| N1 | FE1 | C11 | C13 | 113.8° | 72.9° |
| N1 | FE1 | C11 | C14 | 69.0° | 103.2° |
| N1 | FE1 | C12 | C13 | 98.7° | 91.7° |
| N1 | FE1 | C12 | C14 | 88.5° | 93.9° |
| N1 | FE1 | C13 | C14 | 160.5° | 144.0° |
| N1 | FE1 | C11 | N3 | 10.1° | 17.9° |
| N1 | FE1 | C12 | N4 | 165.5° | 50.8° |
| N1 | FE1 | C13 | N5 | 141.0° | 152.0° |
| N1 | FE1 | C14 | N6 | 88.5° | 83.3° |
| FE1 | N1 | C3 | H3 | 0.4° | 66.7° |
| C5 | C4 | C9 | C8 | 0.2° | 98.7° |
| C5 | C4 | C9 | N2 | 179.6° | 106.9° |
| C4 | C5 | C1 | C26 | 174.3° | 178.9° |
| C4 | C9 | C8 | C7 | 179.5° | 173.4° |
| C4 | C9 | C8 | N2 | 179.4° | 151.8° |
| C4 | C9 | N2 | C10 | 179.4° | 176.7° |
| C4 | C9 | N2 | FE1 | 0.5° | 39.2° |
| C9 | C4 | C5 | H4 | 0.5° | 2.5° |
| C4 | C9 | C8 | H6 | 0.5° | 21.0° |
| C7 | C6 | C10 | H5 | 180.0° | 179.7° |
| C6 | C7 | C8 | C15 | 179.7° | 177.9° |
| C6 | C7 | C8 | C9 | 0.3° | 11.0° |
| C7 | C6 | C10 | N2 | 0.1° | 3.7° |
| C6 | C7 | C15 | N7 | 106.5° | 112.1° |
| C6 | C7 | C8 | H6 | 179.7° | 176.5° |
| C7 | C6 | C10 | H7 | 179.9° | 179.4° |
| C6 | C7 | C15 | H24 | 133.4° | 127.3° |
| C6 | C7 | C15 | H25 | 13.6° | 9.8° |
| C10 | C6 | C7 | C8 | 0.3° | 2.5° |
| C10 | C6 | C7 | C15 | 179.4° | 179.6° |
| C6 | C10 | N2 | C9 | 0.1° | 13.2° |
| C6 | C10 | N2 | H7 | 180.0° | 175.7° |
| C6 | C10 | N2 | FE1 | 179.9° | 109.6° |
| C7 | C8 | C9 | H6 | 180.0° | 165.5° |
| C7 | C8 | C9 | N2 | 0.2° | 21.6° |
| C8 | C7 | C15 | N7 | 73.1° | 65.7° |
| C8 | C7 | C6 | H5 | 179.7° | 177.8° |
| C8 | C7 | C15 | H24 | 46.9° | 54.9° |
| C8 | C7 | C15 | H25 | 166.8° | 172.4° |
| C15 | C7 | C8 | C9 | 179.4° | 171.0° |
| C7 | C15 | N7 | H24 | 120.1° | 120.7° |
| C7 | C15 | N7 | H25 | 120.1° | 121.9° |
| C7 | C15 | N7 | C18 | 104.0° | 88.4° |
| C15 | C7 | C6 | H5 | 0.6° | 0.1° |
| C15 | C7 | C8 | H6 | 0.6° | 5.6° |
| C7 | C15 | H24 | H25 | 119.8° | 118.6° |
| C7 | C15 | N7 | H39 | 76.0° | 92.1° |
| C8 | C9 | N2 | C10 | 0.0° | 22.1° |
| C8 | C9 | N2 | FE1 | 179.9° | 115.4° |
| C9 | N2 | C10 | FE1 | 179.8° | 122.9° |
| C9 | N2 | FE1 | C11 | 178.6° | 169.3° |
| C9 | N2 | FE1 | C12 | 167.4° | 161.5° |
| C9 | N2 | FE1 | C13 | 98.4° | 82.2° |
| C9 | N2 | FE1 | C14 | 88.6° | 103.7° |
| N2 | C9 | C8 | H6 | 179.9° | 172.9° |
| C9 | N2 | C10 | H7 | 179.9° | 171.1° |
| C10 | N2 | FE1 | C11 | 1.2° | 38.3° |
| C10 | N2 | FE1 | C12 | 12.4° | 30.6° |
| C10 | N2 | FE1 | C13 | 81.7° | 48.7° |
| C10 | N2 | FE1 | C14 | 91.3° | 125.3° |
| N2 | C10 | C6 | H5 | 179.9° | 176.6° |
| N2 | FE1 | C11 | C12 | 179.2° | 179.4° |
| N2 | FE1 | C11 | C13 | 92.9° | 92.0° |
| N2 | FE1 | C11 | C14 | 84.3° | 91.9° |
| N2 | FE1 | C12 | C13 | 94.4° | 79.5° |
| N2 | FE1 | C12 | C14 | 78.5° | 94.9° |
| N2 | FE1 | C13 | C14 | 75.7° | 125.1° |
| N2 | FE1 | C11 | N3 | 143.1° | 147.0° |
| N2 | FE1 | C12 | N4 | 27.5° | 120.4° |
| N2 | FE1 | C13 | N5 | 134.2° | 117.1° |
| N2 | FE1 | C14 | N6 | 4.0° | 174.3° |
| FE1 | N2 | C10 | H7 | 0.1° | 66.1° |
| C11 | FE1 | C12 | C13 | 83.1° | 87.3° |
| C11 | FE1 | C12 | C14 | 89.8° | 87.1° |
| C11 | FE1 | C13 | C14 | 23.1° | 32.4° |
| C11 | FE1 | C12 | N4 | 16.2° | 128.3° |
| C11 | FE1 | C13 | N5 | 35.3° | 24.4° |
| C11 | FE1 | C14 | N6 | 95.2° | 93.0° |
| C12 | FE1 | C13 | C14 | 100.1° | 50.4° |
| C12 | FE1 | C11 | N3 | 36.0° | 32.4° |
| C12 | FE1 | C13 | N5 | 41.6° | 58.5° |
| C12 | FE1 | C14 | N6 | 171.8° | 10.2° |
| C13 | FE1 | C11 | N3 | 124.0° | 55.0° |
| C13 | FE1 | C12 | N4 | 66.9° | 40.9° |
| C13 | FE1 | C14 | N6 | 72.3° | 60.6° |
| C14 | FE1 | C11 | N3 | 58.9° | 121.1° |
| C14 | FE1 | C12 | N4 | 106.0° | 144.7° |
| C14 | FE1 | C13 | N5 | 58.5° | 8.1° |
| C15 | N7 | C18 | C17 | 124.9° | 173.6° |
| C15 | N7 | C18 | H39 | 180.0° | 179.5° |
| C15 | N7 | C18 | O1 | 45.6° | 6.8° |
| N7 | C15 | H24 | H25 | 119.7° | 118.5° |
| C17 | C16 | C19 | H26 | 117.8° | 122.5° |
| C17 | C16 | C19 | H27 | 117.7° | 122.4° |
| C16 | C17 | C18 | H28 | 119.9° | 120.9° |
| C16 | C17 | C18 | H29 | 119.9° | 121.5° |
| C16 | C17 | C18 | N7 | 31.1° | 104.6° |
| C16 | C17 | C18 | O1 | 139.1° | 75.8° |
| C17 | C16 | C19 | C20 | 120.0° | 166.6° |
| C17 | C16 | H26 | H27 | 126.3° | 116.1° |
| C16 | C17 | H28 | H29 | 120.3° | 118.3° |
| C17 | C16 | C19 | H30 | 117.8° | 43.7° |
| C17 | C16 | C19 | H31 | 2.2° | 71.8° |
| C19 | C16 | C17 | C18 | 144.1° | 168.4° |
| C16 | C19 | C20 | H30 | 122.2° | 122.5° |
| C16 | C19 | C20 | H31 | 122.2° | 121.5° |
| C16 | C19 | C20 | C21 | 55.2° | 97.8° |
| C19 | C16 | H26 | H27 | 126.3° | 115.7° |
| C19 | C16 | C17 | H28 | 96.0° | 70.7° |
| C19 | C16 | C17 | H29 | 24.2° | 46.7° |
| C16 | C19 | H30 | H31 | 112.6° | 116.3° |
| C16 | C19 | C20 | H32 | 174.7° | 140.2° |
| C16 | C19 | C20 | H33 | 64.3° | 25.4° |
| C17 | C18 | N7 | O1 | 170.5° | 179.6° |
| C18 | C17 | C16 | H26 | 98.2° | 69.3° |
| C18 | C17 | C16 | H27 | 26.4° | 46.1° |
| C18 | C17 | H28 | H29 | 120.2° | 118.7° |
| C17 | C18 | N7 | H39 | 55.1° | 7.0° |
| C18 | N7 | C15 | H24 | 16.1° | 150.9° |
| C18 | N7 | C15 | H25 | 135.9° | 33.5° |
| N7 | C18 | C17 | H28 | 151.1° | 134.5° |
| N7 | C18 | C17 | H29 | 88.8° | 16.9° |
| O1 | C18 | C17 | H28 | 19.1° | 45.1° |
| O1 | C18 | C17 | H29 | 101.0° | 162.7° |
| O1 | C18 | N7 | H39 | 134.4° | 172.6° |
| C19 | C20 | C21 | H32 | 119.5° | 121.9° |
| C19 | C20 | C21 | H33 | 119.5° | 123.2° |
| C19 | C20 | C21 | C23 | 129.8° | 139.6° |
| C19 | C20 | C21 | S1 | 116.8° | 101.2° |
| C20 | C19 | C16 | H26 | 2.2° | 70.9° |
| C20 | C19 | C16 | H27 | 122.2° | 44.2° |
| C20 | C19 | H30 | H31 | 112.7° | 117.1° |
| C19 | C20 | H32 | H33 | 121.4° | 115.9° |
| C19 | C20 | C21 | H34 | 9.3° | 16.9° |
| C20 | C21 | C23 | S1 | 127.8° | 124.3° |
| C20 | C21 | C23 | H34 | 120.4° | 122.9° |
| C20 | C21 | S1 | H34 | 127.4° | 118.2° |
| C20 | C21 | S1 | C22 | 161.7° | 172.5° |
| C20 | C21 | C23 | C24 | 160.9° | 164.2° |
| C20 | C21 | C23 | N9 | 44.1° | 50.4° |
| C21 | C20 | C19 | H30 | 67.0° | 24.8° |
| C21 | C20 | C19 | H31 | 177.4° | 140.8° |
| C21 | C20 | H32 | H33 | 121.4° | 116.0° |
| C20 | C21 | C23 | H37 | 77.4° | 75.5° |
| C23 | C21 | S1 | H34 | 114.3° | 112.5° |
| C21 | C23 | C24 | C22 | 0.9° | 16.2° |
| C23 | C21 | S1 | C22 | 43.4° | 43.2° |
| C21 | C23 | C24 | N9 | 124.0° | 123.6° |
| C21 | C23 | C24 | H37 | 121.4° | 120.3° |
| C21 | C23 | N9 | H37 | 121.1° | 126.1° |
| C21 | C23 | C24 | N8 | 124.0° | 136.8° |
| C21 | C23 | N9 | C25 | 124.4° | 129.7° |
| C23 | C21 | C20 | H32 | 10.3° | 98.5° |
| C23 | C21 | C20 | H33 | 110.6° | 16.5° |
| C21 | C23 | C24 | H38 | 117.8° | 105.9° |
| C21 | C23 | N9 | H41 | 55.6° | 50.8° |
| C21 | S1 | C22 | C24 | 47.3° | 35.3° |
| S1 | C21 | C23 | C24 | 33.1° | 39.9° |
| S1 | C21 | C23 | N9 | 83.7° | 74.0° |
| S1 | C21 | C20 | H32 | 123.6° | 20.7° |
| S1 | C21 | C20 | H33 | 2.7° | 135.6° |
| C21 | S1 | C22 | H35 | 72.1° | 155.6° |
| C21 | S1 | C22 | H36 | 166.7° | 84.8° |
| S1 | C21 | C23 | H37 | 154.8° | 160.2° |
| C24 | C22 | S1 | H35 | 119.4° | 120.2° |
| C24 | C22 | S1 | H36 | 119.4° | 120.1° |
| C22 | C24 | C23 | N8 | 123.1° | 120.6° |
| C22 | C24 | C23 | H38 | 118.8° | 122.1° |
| C22 | C24 | C23 | N9 | 123.0° | 107.4° |
| C22 | C24 | N8 | H38 | 126.6° | 124.5° |
| C22 | C24 | N8 | C25 | 115.5° | 106.6° |
| C24 | C22 | H35 | H36 | 121.8° | 120.7° |
| C22 | C24 | C23 | H37 | 122.3° | 136.5° |
| C22 | C24 | N8 | H40 | 64.4° | 73.6° |
| S1 | C22 | C24 | C23 | 32.7° | 15.7° |
| S1 | C22 | C24 | N8 | 81.8° | 97.8° |
| C22 | S1 | C21 | H34 | 70.8° | 69.4° |
| S1 | C22 | H35 | H36 | 121.8° | 120.8° |
| S1 | C22 | C24 | H38 | 151.4° | 138.0° |
| C24 | C23 | N9 | H37 | 114.7° | 116.5° |
| C23 | C24 | N8 | H38 | 118.0° | 117.7° |
| C23 | C24 | N8 | C25 | 0.1° | 11.3° |
| C24 | C23 | N9 | C25 | 0.2° | 12.3° |
| C24 | C23 | C21 | H34 | 78.7° | 72.9° |
| C23 | C24 | C22 | H35 | 86.7° | 136.0° |
| C23 | C24 | C22 | H36 | 152.1° | 104.4° |
| C23 | C24 | N8 | H40 | 179.9° | 168.6° |
| C24 | C23 | N9 | H41 | 179.8° | 168.2° |
| N9 | C23 | C24 | N8 | 0.0° | 13.2° |
| C23 | N9 | C25 | O2 | 179.7° | 174.4° |
| C23 | N9 | C25 | N8 | 0.3° | 5.9° |
| C23 | N9 | C25 | H41 | 180.0° | 179.5° |
| N9 | C23 | C21 | H34 | 164.5° | 173.3° |
| N9 | C23 | C24 | H38 | 118.2° | 130.5° |
| C24 | N8 | C25 | O2 | 179.7° | 175.6° |
| C24 | N8 | C25 | H40 | 180.0° | 179.9° |
| C24 | N8 | C25 | N9 | 0.2° | 4.1° |
| N8 | C24 | C22 | H35 | 158.8° | 22.5° |
| N8 | C24 | C22 | H36 | 37.6° | 142.1° |
| N8 | C24 | C23 | H37 | 114.6° | 103.0° |
| O2 | C25 | N8 | N9 | 180.0° | 179.7° |
| O2 | C25 | N8 | H40 | 0.3° | 4.5° |
| O2 | C25 | N9 | H41 | 0.3° | 5.2° |
| C25 | N8 | C24 | H38 | 117.8° | 129.0° |
| N8 | C25 | N9 | H41 | 179.8° | 174.6° |
| C25 | N9 | C23 | H37 | 114.5° | 104.2° |
| N9 | C25 | N8 | H40 | 179.8° | 175.7° |
| C26 | C1 | C2 | H2 | 4.9° | 0.3° |
| C26 | C1 | C5 | H4 | 5.7° | 0.4° |
| C1 | C26 | H251 | H261 | 120.0° | 120.4° |
| C1 | C26 | H251 | H271 | 120.0° | 120.2° |
| C1 | C26 | H261 | H271 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.1° | 1.7° |
| H5 | C6 | C10 | H7 | 0.1° | 0.9° |
| H24 | C15 | N7 | H39 | 163.9° | 28.5° |
| H25 | C15 | N7 | H39 | 44.1° | 146.0° |
| H26 | C16 | C17 | H28 | 21.7° | 51.5° |
| H26 | C16 | C17 | H29 | 141.9° | 168.9° |
| H26 | C16 | C19 | H30 | 124.4° | 166.2° |
| H26 | C16 | C19 | H31 | 120.0° | 50.8° |
| H27 | C16 | C17 | H28 | 146.2° | 166.9° |
| H27 | C16 | C17 | H29 | 93.5° | 75.7° |
| H27 | C16 | C19 | H30 | 0.0° | 78.7° |
| H27 | C16 | C19 | H31 | 115.5° | 165.8° |
| H30 | C19 | C20 | H32 | 52.6° | 97.3° |
| H30 | C19 | C20 | H33 | 173.5° | 147.9° |
| H31 | C19 | C20 | H32 | 63.0° | 18.7° |
| H31 | C19 | C20 | H33 | 57.9° | 96.1° |
| H32 | C20 | C21 | H34 | 110.2° | 138.8° |
| H33 | C20 | C21 | H34 | 128.9° | 106.3° |
| H34 | C21 | C23 | H37 | 43.0° | 47.5° |
| H35 | C22 | C24 | H38 | 32.1° | 101.8° |
| H36 | C22 | C24 | H38 | 89.2° | 17.8° |
| H37 | C23 | C24 | H38 | 3.6° | 14.3° |
| H37 | C23 | N9 | H41 | 65.5° | 75.3° |
| H38 | C24 | N8 | H40 | 62.2° | 50.9° |
| H251 | C26 | H261 | H271 | 120.0° | 119.5° |
