QG1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.37Å | 1.39Å | Aromatic |
| C22 | N5 | sing | 1.34Å | 1.36Å | Aromatic |
| C21 | C20 | sing | 1.37Å | 1.40Å | Aromatic |
| N5 | C18 | doub | 1.34Å | 1.36Å | Aromatic |
| FE1 | N3 | sing | 2.15Å | 1.94Å | |
| FE1 | N4 | sing | 2.08Å | 2.32Å | |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.56Å | |
| C17 | N3 | sing | 1.49Å | 1.57Å | |
| N3 | C23 | sing | 1.49Å | 1.47Å | |
| N3 | C11 | sing | 1.49Å | 1.54Å | |
| O1 | C1 | doub | 1.24Å | 1.24Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C24 | N6 | sing | 1.47Å | 1.50Å | |
| C16 | N4 | doub | 1.34Å | 1.34Å | Aromatic |
| C16 | C15 | sing | 1.37Å | 1.40Å | Aromatic |
| N4 | C12 | sing | 1.34Å | 1.29Å | Aromatic |
| C1 | N6 | sing | 1.35Å | 1.36Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.52Å | 1.53Å | |
| C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C14 | doub | 1.37Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C10 | sing | 1.57Å | 1.52Å | |
| C6 | S1 | sing | 1.82Å | 1.80Å | |
| C10 | N2 | sing | 1.45Å | 1.48Å | |
| C10 | C8 | sing | 1.55Å | 1.58Å | |
| N2 | C9 | sing | 1.35Å | 1.32Å | |
| S1 | C7 | sing | 1.79Å | 1.77Å | |
| C9 | O2 | doub | 1.24Å | 1.23Å | |
| C9 | N1 | sing | 1.34Å | 1.34Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C8 | N1 | sing | 1.45Å | 1.46Å | |
| C10 | H1 | sing | 0.99Å | 1.10Å | |
| C15 | H2 | sing | 0.94Å | 1.08Å | |
| C17 | H3 | sing | 0.99Å | 1.10Å | |
| C17 | H4 | sing | 0.99Å | 1.10Å | |
| C11 | H5 | sing | 0.99Å | 1.10Å | |
| C11 | H6 | sing | 0.99Å | 1.10Å | |
| C14 | H7 | sing | 0.94Å | 1.08Å | |
| N1 | H8 | sing | 0.86Å | 1.00Å | |
| N2 | H9 | sing | 0.86Å | 1.00Å | |
| C8 | H10 | sing | 0.99Å | 1.10Å | |
| C7 | H11 | sing | 0.99Å | 1.10Å | |
| C7 | H12 | sing | 0.99Å | 1.10Å | |
| C6 | H13 | sing | 1.00Å | 1.10Å | |
| C5 | H14 | sing | 0.98Å | 1.10Å | |
| C5 | H15 | sing | 0.98Å | 1.10Å | |
| C4 | H16 | sing | 0.98Å | 1.10Å | |
| C4 | H17 | sing | 0.98Å | 1.10Å | |
| C3 | H18 | sing | 0.98Å | 1.10Å | |
| C3 | H19 | sing | 0.98Å | 1.10Å | |
| C2 | H20 | sing | 0.98Å | 1.10Å | |
| C2 | H21 | sing | 0.98Å | 1.10Å | |
| C24 | H22 | sing | 0.98Å | 1.10Å | |
| C24 | H23 | sing | 0.98Å | 1.10Å | |
| N6 | H24 | sing | 0.88Å | 1.00Å | |
| C23 | H25 | sing | 0.98Å | 1.10Å | |
| C23 | H26 | sing | 0.98Å | 1.10Å | |
| C16 | H27 | sing | 0.94Å | 1.08Å | |
| C13 | H28 | sing | 0.93Å | 1.08Å | |
| C22 | H29 | sing | 0.94Å | 1.08Å | |
| C21 | H30 | sing | 0.94Å | 1.08Å | |
| C20 | H31 | sing | 0.94Å | 1.08Å | |
| C19 | H32 | sing | 0.93Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | N5 | 120.4° | 123.4° |
| C22 | C21 | C20 | 117.8° | 118.4° |
| C21 | C22 | H29 | 119.8° | 118.5° |
| C22 | C21 | H30 | 121.1° | 120.7° |
| C22 | N5 | C18 | 124.3° | 118.0° |
| N5 | C22 | H29 | 119.8° | 118.0° |
| C21 | C20 | C19 | 119.9° | 119.2° |
| C20 | C21 | H30 | 121.1° | 120.9° |
| C21 | C20 | H31 | 120.1° | 120.4° |
| N5 | C18 | C19 | 116.3° | 121.8° |
| N5 | C18 | C17 | 119.5° | 116.7° |
| N3 | FE1 | N4 | 79.0° | 80.8° |
| FE1 | N3 | C17 | 94.8° | 105.6° |
| FE1 | N3 | C23 | 139.0° | 105.4° |
| FE1 | N3 | C11 | 94.8° | 107.0° |
| FE1 | N4 | C16 | 128.9° | 126.5° |
| FE1 | N4 | C12 | 109.3° | 115.6° |
| C20 | C19 | C18 | 121.3° | 119.2° |
| C19 | C20 | H31 | 120.1° | 120.4° |
| C20 | C19 | H32 | 119.4° | 120.5° |
| C19 | C18 | C17 | 124.2° | 121.5° |
| C18 | C19 | H32 | 119.3° | 120.3° |
| C18 | C17 | N3 | 116.6° | 117.2° |
| C18 | C17 | H3 | 107.7° | 107.6° |
| C18 | C17 | H4 | 107.7° | 108.5° |
| C17 | N3 | C23 | 120.1° | 112.7° |
| C17 | N3 | C11 | 124.1° | 112.6° |
| N3 | C17 | H3 | 107.7° | 109.5° |
| N3 | C17 | H4 | 107.7° | 109.9° |
| C23 | N3 | C11 | 83.4° | 112.8° |
| N3 | C23 | C24 | 110.5° | 115.5° |
| N3 | C23 | H25 | 109.2° | 109.2° |
| N3 | C23 | H26 | 109.2° | 109.6° |
| N3 | C11 | C12 | 119.3° | 114.3° |
| N3 | C11 | H5 | 106.9° | 110.5° |
| N3 | C11 | H6 | 107.0° | 110.3° |
| O1 | C1 | N6 | 127.1° | 122.1° |
| O1 | C1 | C2 | 120.5° | 120.1° |
| C23 | C24 | N6 | 113.4° | 112.5° |
| C23 | C24 | H22 | 108.5° | 109.2° |
| C23 | C24 | H23 | 108.5° | 109.2° |
| C24 | C23 | H25 | 109.2° | 108.4° |
| C24 | C23 | H26 | 109.2° | 107.1° |
| C24 | N6 | C1 | 107.6° | 125.5° |
| N6 | C24 | H22 | 108.5° | 108.8° |
| N6 | C24 | H23 | 108.5° | 109.2° |
| C24 | N6 | H24 | 126.2° | 116.8° |
| N4 | C16 | C15 | 119.0° | 123.4° |
| C16 | N4 | C12 | 121.3° | 117.9° |
| N4 | C16 | H27 | 120.5° | 118.0° |
| C16 | C15 | C14 | 120.0° | 118.4° |
| C16 | C15 | H2 | 120.0° | 120.7° |
| C15 | C16 | H27 | 120.5° | 118.6° |
| N4 | C12 | C11 | 105.8° | 115.9° |
| N4 | C12 | C13 | 123.6° | 122.1° |
| N6 | C1 | C2 | 112.4° | 117.8° |
| C1 | N6 | H24 | 126.2° | 117.7° |
| C1 | C2 | C3 | 113.2° | 112.9° |
| C1 | C2 | H20 | 108.5° | 109.4° |
| C1 | C2 | H21 | 108.5° | 108.7° |
| C11 | C12 | C13 | 130.6° | 122.0° |
| C12 | C11 | H5 | 107.0° | 107.6° |
| C12 | C11 | H6 | 107.0° | 108.9° |
| C2 | C3 | C4 | 112.5° | 115.2° |
| C2 | C3 | H18 | 108.7° | 108.6° |
| C2 | C3 | H19 | 108.7° | 108.6° |
| C3 | C2 | H20 | 108.5° | 109.1° |
| C3 | C2 | H21 | 108.5° | 108.9° |
| C12 | C13 | C14 | 116.0° | 118.9° |
| C12 | C13 | H28 | 122.0° | 120.4° |
| C15 | C14 | C13 | 119.8° | 119.2° |
| C14 | C15 | H2 | 120.0° | 120.9° |
| C15 | C14 | H7 | 120.1° | 120.4° |
| C3 | C4 | C5 | 111.8° | 115.2° |
| C3 | C4 | H16 | 108.9° | 108.3° |
| C3 | C4 | H17 | 108.9° | 108.4° |
| C4 | C3 | H18 | 108.7° | 108.6° |
| C4 | C3 | H19 | 108.7° | 108.4° |
| C13 | C14 | H7 | 120.1° | 120.3° |
| C14 | C13 | H28 | 122.0° | 120.6° |
| C4 | C5 | C6 | 110.8° | 116.1° |
| C4 | C5 | H14 | 109.2° | 108.4° |
| C4 | C5 | H15 | 109.2° | 108.3° |
| C5 | C4 | H16 | 108.9° | 108.8° |
| C5 | C4 | H17 | 108.9° | 108.8° |
| C5 | C6 | C10 | 113.3° | 119.1° |
| C5 | C6 | S1 | 114.9° | 112.0° |
| C5 | C6 | H13 | 108.5° | 107.6° |
| C6 | C5 | H14 | 109.1° | 108.1° |
| C6 | C5 | H15 | 109.1° | 108.3° |
| C10 | C6 | S1 | 105.4° | 102.5° |
| C6 | C10 | N2 | 113.7° | 116.4° |
| C6 | C10 | C8 | 108.9° | 108.0° |
| C6 | C10 | H1 | 111.2° | 110.1° |
| C10 | C6 | H13 | 108.7° | 107.5° |
| C6 | S1 | C7 | 88.7° | 90.3° |
| S1 | C6 | H13 | 105.8° | 107.7° |
| N2 | C10 | C8 | 100.3° | 102.1° |
| C10 | N2 | C9 | 112.5° | 113.6° |
| N2 | C10 | H1 | 111.8° | 109.7° |
| C10 | N2 | H9 | 123.8° | 124.8° |
| C10 | C8 | C7 | 105.7° | 109.5° |
| C10 | C8 | N1 | 104.4° | 102.6° |
| C8 | C10 | H1 | 110.4° | 110.2° |
| C10 | C8 | H10 | 111.0° | 110.7° |
| N2 | C9 | O2 | 123.8° | 126.0° |
| N2 | C9 | N1 | 112.7° | 108.0° |
| C9 | N2 | H9 | 123.8° | 121.6° |
| S1 | C7 | C8 | 106.9° | 106.4° |
| S1 | C7 | H11 | 110.1° | 110.5° |
| S1 | C7 | H12 | 110.1° | 110.5° |
| O2 | C9 | N1 | 123.4° | 126.0° |
| C9 | N1 | C8 | 110.1° | 113.4° |
| C9 | N1 | H8 | 125.0° | 122.2° |
| C7 | C8 | N1 | 111.2° | 113.1° |
| C7 | C8 | H10 | 111.4° | 110.6° |
| C8 | C7 | H11 | 110.1° | 110.3° |
| C8 | C7 | H12 | 110.1° | 110.4° |
| C8 | N1 | H8 | 124.9° | 124.4° |
| N1 | C8 | H10 | 112.8° | 110.1° |
| H3 | C17 | H4 | 109.5° | 103.2° |
| H5 | C11 | H6 | 109.5° | 104.9° |
| H11 | C7 | H12 | 109.5° | 108.7° |
| H14 | C5 | H15 | 109.4° | 107.3° |
| H16 | C4 | H17 | 109.5° | 107.1° |
| H18 | C3 | H19 | 109.5° | 107.3° |
| H20 | C2 | H21 | 109.5° | 107.8° |
| H22 | C24 | H23 | 109.5° | 107.8° |
| H25 | C23 | H26 | 109.5° | 106.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | N5 | H29 | 180.0° | 179.7° |
| C22 | C21 | C20 | H30 | 180.0° | 180.0° |
| C21 | C22 | N5 | C18 | 0.9° | 0.8° |
| C22 | C21 | C20 | C19 | 1.4° | 0.1° |
| C22 | C21 | C20 | H31 | 178.6° | 180.0° |
| N5 | C22 | C21 | C20 | 0.3° | 0.2° |
| C22 | N5 | C18 | C19 | 0.9° | 1.3° |
| C22 | N5 | C18 | C17 | 176.9° | 179.7° |
| N5 | C22 | C21 | H30 | 179.7° | 179.8° |
| C21 | C20 | C19 | H31 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.4° | 0.5° |
| C20 | C21 | C22 | H29 | 179.7° | 180.0° |
| C21 | C20 | C19 | H32 | 178.6° | 179.9° |
| N5 | C18 | C19 | C20 | 0.3° | 1.2° |
| N5 | C18 | C19 | C17 | 177.7° | 178.3° |
| N5 | C18 | C17 | N3 | 47.7° | 89.4° |
| N5 | C18 | C17 | H3 | 73.3° | 146.7° |
| N5 | C18 | C17 | H4 | 168.7° | 35.7° |
| C18 | N5 | C22 | H29 | 179.1° | 179.4° |
| N5 | C18 | C19 | H32 | 179.7° | 179.4° |
| FE1 | N3 | C17 | C18 | 117.6° | 35.2° |
| FE1 | N3 | C17 | C23 | 157.5° | 114.6° |
| FE1 | N3 | C17 | C11 | 99.0° | 116.4° |
| FE1 | N3 | C23 | C11 | 89.7° | 116.5° |
| FE1 | N3 | C23 | C24 | 2.7° | 26.2° |
| N3 | FE1 | N4 | C16 | 154.6° | 168.2° |
| N3 | FE1 | N4 | C12 | 33.5° | 12.5° |
| FE1 | N3 | C11 | C12 | 61.9° | 27.0° |
| FE1 | N3 | C17 | H3 | 3.4° | 87.7° |
| FE1 | N3 | C17 | H4 | 121.4° | 159.6° |
| FE1 | N3 | C11 | H5 | 176.7° | 94.5° |
| FE1 | N3 | C11 | H6 | 59.5° | 150.1° |
| FE1 | N3 | C23 | H25 | 122.8° | 148.6° |
| FE1 | N3 | C23 | H26 | 117.5° | 94.8° |
| N4 | FE1 | N3 | C17 | 83.4° | 99.3° |
| N4 | FE1 | N3 | C23 | 126.9° | 141.2° |
| N4 | FE1 | N3 | C11 | 41.5° | 20.9° |
| FE1 | N4 | C16 | C12 | 171.0° | 179.3° |
| FE1 | N4 | C16 | C15 | 176.0° | 178.9° |
| FE1 | N4 | C12 | C11 | 6.1° | 0.4° |
| FE1 | N4 | C12 | C13 | 174.5° | 178.7° |
| FE1 | N4 | C16 | H27 | 4.0° | 0.9° |
| C20 | C19 | C18 | H32 | 180.0° | 179.4° |
| C20 | C19 | C18 | C17 | 178.0° | 179.5° |
| C19 | C20 | C21 | H30 | 178.6° | 180.0° |
| C19 | C18 | C17 | N3 | 129.9° | 92.2° |
| C19 | C18 | C17 | H3 | 109.1° | 31.7° |
| C19 | C18 | C17 | H4 | 8.8° | 142.7° |
| C18 | C19 | C20 | H31 | 178.5° | 179.5° |
| C18 | C17 | N3 | H3 | 121.0° | 122.9° |
| C18 | C17 | N3 | H4 | 121.0° | 124.4° |
| C18 | C17 | N3 | C23 | 39.9° | 149.8° |
| C18 | C17 | N3 | C11 | 143.4° | 81.3° |
| C18 | C17 | H3 | H4 | 116.8° | 114.6° |
| C17 | C18 | C19 | H32 | 2.0° | 1.1° |
| C17 | N3 | C23 | C11 | 125.8° | 128.8° |
| C17 | N3 | C23 | C24 | 147.1° | 88.5° |
| C17 | N3 | C11 | C12 | 37.1° | 88.6° |
| N3 | C17 | H3 | H4 | 116.8° | 117.0° |
| C17 | N3 | C11 | H5 | 84.3° | 149.9° |
| C17 | N3 | C11 | H6 | 158.5° | 34.5° |
| C17 | N3 | C23 | H25 | 92.7° | 33.9° |
| C17 | N3 | C23 | H26 | 27.0° | 150.5° |
| N3 | C23 | C24 | H25 | 120.2° | 122.8° |
| N3 | C23 | C24 | H26 | 120.1° | 122.4° |
| N3 | C23 | C24 | N6 | 162.5° | 168.4° |
| C23 | N3 | C11 | C12 | 159.3° | 142.6° |
| C23 | N3 | C17 | H3 | 160.9° | 26.9° |
| C23 | N3 | C17 | H4 | 81.1° | 85.8° |
| C23 | N3 | C11 | H5 | 37.9° | 21.1° |
| C23 | N3 | C11 | H6 | 79.4° | 94.4° |
| N3 | C23 | C24 | H22 | 76.9° | 70.6° |
| N3 | C23 | C24 | H23 | 41.9° | 47.0° |
| N3 | C23 | H25 | H26 | 119.5° | 118.4° |
| C11 | N3 | C23 | C24 | 87.0° | 142.7° |
| N3 | C11 | C12 | N4 | 36.3° | 18.9° |
| N3 | C11 | C12 | H5 | 121.4° | 123.1° |
| N3 | C11 | C12 | H6 | 121.4° | 123.8° |
| N3 | C11 | C12 | C13 | 143.0° | 162.0° |
| C11 | N3 | C17 | H3 | 95.6° | 155.9° |
| C11 | N3 | C17 | H4 | 22.4° | 43.2° |
| N3 | C11 | H5 | H6 | 115.6° | 118.8° |
| C11 | N3 | C23 | H25 | 33.1° | 94.9° |
| C11 | N3 | C23 | H26 | 152.8° | 21.7° |
| O1 | C1 | N6 | C24 | 10.7° | 0.3° |
| O1 | C1 | N6 | C2 | 178.1° | 179.7° |
| O1 | C1 | C2 | C3 | 38.5° | 86.6° |
| O1 | C1 | C2 | H20 | 82.0° | 151.7° |
| O1 | C1 | C2 | H21 | 159.1° | 34.3° |
| O1 | C1 | N6 | H24 | 169.3° | 178.6° |
| C23 | C24 | N6 | H22 | 120.6° | 121.2° |
| C23 | C24 | N6 | H23 | 120.6° | 121.4° |
| C23 | C24 | N6 | C1 | 75.3° | 151.1° |
| C23 | C24 | H22 | H23 | 118.2° | 118.5° |
| C23 | C24 | N6 | H24 | 104.7° | 29.9° |
| C24 | C23 | H25 | H26 | 119.5° | 115.0° |
| C24 | N6 | C1 | H24 | 180.0° | 178.9° |
| C24 | N6 | C1 | C2 | 171.1° | 180.0° |
| N6 | C24 | H22 | H23 | 118.2° | 118.3° |
| N6 | C24 | C23 | H25 | 42.3° | 45.6° |
| N6 | C24 | C23 | H26 | 77.4° | 69.2° |
| N4 | C16 | C15 | H27 | 180.0° | 179.8° |
| C16 | N4 | C12 | C11 | 178.7° | 179.8° |
| C16 | N4 | C12 | C13 | 1.8° | 0.6° |
| N4 | C16 | C15 | C14 | 3.3° | 0.1° |
| N4 | C16 | C15 | H2 | 176.7° | 179.9° |
| C15 | C16 | N4 | C12 | 5.0° | 0.4° |
| C16 | C15 | C14 | H2 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 1.5° | 0.1° |
| C16 | C15 | C14 | H7 | 178.5° | 180.0° |
| N4 | C12 | C11 | C13 | 179.4° | 179.2° |
| N4 | C12 | C13 | C14 | 3.0° | 0.6° |
| N4 | C12 | C11 | H5 | 157.7° | 104.2° |
| N4 | C12 | C11 | H6 | 85.1° | 142.6° |
| C12 | N4 | C16 | H27 | 175.1° | 179.8° |
| N4 | C12 | C13 | H28 | 177.1° | 179.7° |
| N6 | C1 | C2 | C3 | 139.7° | 93.7° |
| N6 | C1 | C2 | H20 | 99.7° | 28.0° |
| N6 | C1 | C2 | H21 | 19.2° | 145.4° |
| C1 | N6 | C24 | H22 | 45.3° | 87.7° |
| C1 | N6 | C24 | H23 | 164.1° | 29.7° |
| C1 | C2 | C3 | H20 | 120.6° | 121.8° |
| C1 | C2 | C3 | H21 | 120.5° | 120.8° |
| C1 | C2 | C3 | C4 | 70.0° | 176.1° |
| C1 | C2 | C3 | H18 | 50.5° | 54.2° |
| C1 | C2 | C3 | H19 | 169.6° | 62.2° |
| C1 | C2 | H20 | H21 | 118.3° | 118.0° |
| C2 | C1 | N6 | H24 | 8.9° | 1.1° |
| C11 | C12 | C13 | C14 | 176.3° | 179.7° |
| C12 | C11 | H5 | H6 | 115.6° | 115.8° |
| C11 | C12 | C13 | H28 | 3.7° | 0.6° |
| C2 | C3 | C4 | H18 | 120.4° | 121.9° |
| C2 | C3 | C4 | H19 | 120.4° | 121.9° |
| C2 | C3 | C4 | C5 | 179.7° | 177.9° |
| C2 | C3 | C4 | H16 | 59.9° | 60.0° |
| C2 | C3 | C4 | H17 | 59.4° | 55.8° |
| C2 | C3 | H18 | H19 | 118.6° | 117.2° |
| C3 | C2 | H20 | H21 | 118.3° | 118.1° |
| C12 | C13 | C14 | C15 | 4.4° | 0.3° |
| C12 | C13 | C14 | H28 | 180.0° | 179.7° |
| C13 | C12 | C11 | H5 | 21.7° | 75.0° |
| C13 | C12 | C11 | H6 | 95.6° | 38.2° |
| C12 | C13 | C14 | H7 | 175.6° | 179.7° |
| C15 | C14 | C13 | H7 | 180.0° | 180.0° |
| C14 | C15 | C16 | H27 | 176.7° | 179.9° |
| C15 | C14 | C13 | H28 | 175.6° | 180.0° |
| C3 | C4 | C5 | H16 | 120.3° | 121.8° |
| C3 | C4 | C5 | H17 | 120.3° | 121.9° |
| C3 | C4 | C5 | C6 | 177.8° | 178.4° |
| C3 | C4 | C5 | H14 | 62.0° | 56.5° |
| C3 | C4 | C5 | H15 | 57.6° | 59.6° |
| C3 | C4 | H16 | H17 | 118.9° | 116.7° |
| C4 | C3 | H18 | H19 | 118.6° | 117.0° |
| C4 | C3 | C2 | H20 | 169.4° | 62.1° |
| C4 | C3 | C2 | H21 | 50.6° | 55.2° |
| C13 | C14 | C15 | H2 | 178.5° | 180.0° |
| C4 | C5 | C6 | H14 | 120.2° | 122.1° |
| C4 | C5 | C6 | H15 | 120.2° | 122.0° |
| C4 | C5 | C6 | C10 | 164.1° | 165.9° |
| C4 | C5 | C6 | S1 | 74.7° | 74.7° |
| C4 | C5 | C6 | H13 | 43.3° | 43.4° |
| C4 | C5 | H14 | H15 | 119.4° | 116.7° |
| C5 | C4 | H16 | H17 | 119.0° | 117.4° |
| C5 | C4 | C3 | H18 | 59.3° | 56.0° |
| C5 | C4 | C3 | H19 | 59.8° | 60.2° |
| C5 | C6 | C10 | S1 | 126.4° | 124.2° |
| C5 | C6 | C10 | H13 | 120.6° | 122.5° |
| C5 | C6 | S1 | H13 | 119.6° | 118.1° |
| C5 | C6 | C10 | N2 | 47.7° | 46.5° |
| C5 | C6 | C10 | C8 | 158.6° | 160.6° |
| C5 | C6 | S1 | C7 | 169.8° | 173.2° |
| C5 | C6 | C10 | H1 | 79.6° | 79.1° |
| C6 | C5 | H14 | H15 | 119.4° | 116.6° |
| C6 | C5 | C4 | H16 | 57.5° | 59.8° |
| C6 | C5 | C4 | H17 | 61.9° | 56.6° |
| C10 | C6 | S1 | H13 | 115.0° | 113.2° |
| C6 | C10 | N2 | C8 | 116.1° | 117.4° |
| C6 | C10 | N2 | H1 | 127.0° | 125.8° |
| C6 | C10 | C8 | H1 | 122.3° | 120.3° |
| C6 | C10 | N2 | C9 | 115.9° | 122.2° |
| C10 | C6 | S1 | C7 | 44.4° | 44.4° |
| C6 | C10 | C8 | C7 | 1.3° | 8.7° |
| C6 | C10 | C8 | N1 | 118.7° | 129.0° |
| C6 | C10 | N2 | H9 | 64.1° | 58.7° |
| C6 | C10 | C8 | H10 | 119.5° | 113.5° |
| C10 | C6 | C5 | H14 | 43.9° | 72.1° |
| C10 | C6 | C5 | H15 | 75.7° | 43.9° |
| S1 | C6 | C10 | N2 | 78.7° | 77.6° |
| S1 | C6 | C10 | C8 | 32.2° | 36.4° |
| C6 | S1 | C7 | C8 | 44.2° | 40.6° |
| S1 | C6 | C10 | H1 | 154.1° | 156.7° |
| C6 | S1 | C7 | H11 | 163.8° | 79.3° |
| C6 | S1 | C7 | H12 | 75.4° | 160.5° |
| S1 | C6 | C5 | H14 | 165.1° | 47.3° |
| S1 | C6 | C5 | H15 | 45.5° | 163.3° |
| N2 | C10 | C8 | H1 | 118.0° | 116.4° |
| C10 | N2 | C9 | H9 | 180.0° | 179.2° |
| C10 | N2 | C9 | O2 | 177.9° | 178.1° |
| C10 | N2 | C9 | N1 | 0.8° | 1.7° |
| N2 | C10 | C8 | C7 | 118.3° | 114.6° |
| N2 | C10 | C8 | N1 | 0.9° | 5.7° |
| N2 | C10 | C8 | H10 | 120.9° | 123.2° |
| N2 | C10 | C6 | H13 | 168.4° | 169.0° |
| C8 | C10 | N2 | C9 | 0.2° | 4.8° |
| C10 | C8 | C7 | S1 | 30.8° | 23.9° |
| C10 | C8 | N1 | C9 | 1.5° | 5.4° |
| C10 | C8 | C7 | N1 | 112.7° | 113.7° |
| C10 | C8 | C7 | H10 | 120.6° | 122.3° |
| C10 | C8 | N1 | H10 | 120.6° | 117.9° |
| C10 | C8 | N1 | H8 | 178.5° | 174.6° |
| C8 | C10 | N2 | H9 | 179.9° | 176.0° |
| C10 | C8 | C7 | H11 | 150.4° | 96.0° |
| C10 | C8 | C7 | H12 | 88.7° | 143.8° |
| C8 | C10 | C6 | H13 | 80.7° | 76.9° |
| N2 | C9 | O2 | N1 | 178.6° | 179.8° |
| N2 | C9 | N1 | C8 | 1.5° | 2.7° |
| C9 | N2 | C10 | H1 | 117.1° | 112.0° |
| N2 | C9 | N1 | H8 | 178.5° | 177.3° |
| S1 | C7 | C8 | H11 | 119.6° | 119.9° |
| S1 | C7 | C8 | H12 | 119.6° | 119.9° |
| S1 | C7 | C8 | N1 | 81.8° | 89.8° |
| S1 | C7 | C8 | H10 | 151.4° | 146.2° |
| S1 | C7 | H11 | H12 | 121.2° | 121.3° |
| C7 | S1 | C6 | H13 | 70.6° | 68.7° |
| O2 | C9 | N1 | C8 | 177.2° | 177.5° |
| O2 | C9 | N1 | H8 | 2.8° | 2.5° |
| O2 | C9 | N2 | H9 | 2.1° | 1.1° |
| C9 | N1 | C8 | C7 | 115.0° | 112.4° |
| C9 | N1 | C8 | H8 | 180.0° | 180.0° |
| N1 | C9 | N2 | H9 | 179.2° | 179.1° |
| C9 | N1 | C8 | H10 | 119.1° | 123.3° |
| C7 | C8 | N1 | H10 | 125.9° | 124.3° |
| C7 | C8 | C10 | H1 | 123.6° | 129.0° |
| C7 | C8 | N1 | H8 | 65.0° | 67.7° |
| C8 | C7 | H11 | H12 | 121.2° | 121.2° |
| N1 | C8 | C10 | H1 | 119.0° | 110.7° |
| N1 | C8 | C7 | H11 | 37.8° | 150.3° |
| N1 | C8 | C7 | H12 | 158.6° | 30.2° |
| H1 | C10 | N2 | H9 | 62.9° | 67.2° |
| H1 | C10 | C8 | H10 | 2.8° | 6.8° |
| H1 | C10 | C6 | H13 | 41.1° | 43.4° |
| H2 | C15 | C14 | H7 | 1.5° | 0.0° |
| H2 | C15 | C16 | H27 | 3.3° | 0.1° |
| H7 | C14 | C13 | H28 | 4.4° | 0.1° |
| H8 | N1 | C8 | H10 | 60.9° | 56.7° |
| H10 | C8 | C7 | H11 | 89.0° | 26.3° |
| H10 | C8 | C7 | H12 | 31.8° | 93.9° |
| H13 | C6 | C5 | H14 | 76.9° | 165.5° |
| H13 | C6 | C5 | H15 | 163.6° | 78.6° |
| H14 | C5 | C4 | H16 | 177.7° | 178.3° |
| H14 | C5 | C4 | H17 | 58.3° | 65.4° |
| H15 | C5 | C4 | H16 | 62.7° | 62.3° |
| H15 | C5 | C4 | H17 | 177.9° | 178.6° |
| H16 | C4 | C3 | H18 | 179.6° | 178.0° |
| H16 | C4 | C3 | H19 | 60.5° | 61.8° |
| H17 | C4 | C3 | H18 | 61.1° | 66.1° |
| H17 | C4 | C3 | H19 | 179.8° | 177.7° |
| H18 | C3 | C2 | H20 | 70.1° | 175.9° |
| H18 | C3 | C2 | H21 | 171.0° | 66.7° |
| H19 | C3 | C2 | H20 | 49.0° | 59.6° |
| H19 | C3 | C2 | H21 | 69.9° | 177.0° |
| H22 | C24 | N6 | H24 | 134.7° | 91.3° |
| H22 | C24 | C23 | H25 | 162.9° | 166.6° |
| H22 | C24 | C23 | H26 | 43.2° | 51.8° |
| H23 | C24 | N6 | H24 | 15.9° | 151.3° |
| H23 | C24 | C23 | H25 | 78.3° | 75.8° |
| H23 | C24 | C23 | H26 | 162.0° | 169.4° |
| H29 | C22 | C21 | H30 | 0.3° | 0.1° |
| H30 | C21 | C20 | H31 | 1.4° | 0.0° |
| H31 | C20 | C19 | H32 | 1.5° | 0.1° |
