A1DI3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | N5 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C14 | N4 | sing | 1.48Å | 1.47Å | |
| C15 | N5 | sing | 1.47Å | 1.47Å | |
| C15 | C20 | sing | 1.54Å | 1.53Å | |
| C18 | N6 | sing | 1.47Å | 1.48Å | |
| N4 | C20 | sing | 1.48Å | 1.47Å | |
| N4 | C13 | sing | 1.39Å | 1.33Å | |
| N5 | C16 | sing | 1.46Å | 1.48Å | |
| C21 | N6 | sing | 1.35Å | 1.34Å | |
| C21 | O1 | doub | 1.21Å | 1.23Å | |
| N6 | C17 | sing | 1.47Å | 1.48Å | |
| C6 | N2 | sing | 1.47Å | 1.48Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | N7 | sing | 1.33Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N2 | C11 | sing | 1.39Å | 1.39Å | |
| N2 | C7 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C11 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N7 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.51Å | 1.52Å | |
| F3 | C9 | sing | 1.40Å | 1.33Å | |
| C9 | F1 | sing | 1.40Å | 1.33Å | |
| C9 | F2 | sing | 1.40Å | 1.33Å | |
| C3 | N1 | doub | 1.29Å | 1.33Å | Aromatic |
| C3 | S1 | sing | 1.71Å | 1.72Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.33Å | Aromatic |
| S1 | C2 | sing | 1.76Å | 1.72Å | Aromatic |
| C1 | C2 | doub | 1.34Å | 1.39Å | Aromatic |
| C23 | H1 | sing | 1.09Å | 1.10Å | |
| C23 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C18 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C7 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| C8 | H24 | sing | 1.09Å | 1.10Å | |
| C6 | H25 | sing | 1.09Å | 1.10Å | |
| C6 | H26 | sing | 1.09Å | 1.10Å | |
| C5 | H27 | sing | 1.09Å | 1.10Å | |
| C5 | H28 | sing | 1.09Å | 1.10Å | |
| C4 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | H30 | sing | 1.08Å | 1.08Å | |
| C2 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | N5 | 113.7° | 109.3° |
| C19 | C18 | N6 | 111.9° | 108.5° |
| C19 | C18 | H6 | 108.8° | 109.6° |
| C19 | C18 | H7 | 108.8° | 109.8° |
| C18 | C19 | H8 | 108.4° | 109.5° |
| C18 | C19 | H9 | 108.4° | 109.5° |
| C19 | N5 | C15 | 106.5° | 111.0° |
| C19 | N5 | C16 | 108.7° | 111.1° |
| N5 | C19 | H8 | 108.4° | 109.5° |
| N5 | C19 | H9 | 108.4° | 109.5° |
| C23 | C22 | C21 | 115.0° | 109.4° |
| C22 | C23 | H1 | 109.5° | 109.5° |
| C22 | C23 | H2 | 109.5° | 109.5° |
| C22 | C23 | H3 | 109.5° | 109.4° |
| C23 | C22 | H4 | 108.1° | 109.5° |
| C23 | C22 | H5 | 108.1° | 109.4° |
| C22 | C21 | N6 | 122.1° | 120.0° |
| C22 | C21 | O1 | 117.3° | 120.0° |
| C21 | C22 | H4 | 108.1° | 109.5° |
| C21 | C22 | H5 | 108.1° | 109.5° |
| C15 | C14 | N4 | 90.7° | 86.2° |
| C14 | C15 | N5 | 111.5° | 113.7° |
| C14 | C15 | C20 | 86.2° | 86.3° |
| C14 | C15 | H15 | 113.5° | 113.8° |
| C15 | C14 | H18 | 113.9° | 113.7° |
| C15 | C14 | H19 | 114.0° | 113.8° |
| C14 | N4 | C20 | 90.6° | 90.8° |
| C14 | N4 | C13 | 127.9° | 111.0° |
| N4 | C14 | H18 | 113.9° | 113.7° |
| N4 | C14 | H19 | 113.9° | 113.8° |
| N5 | C15 | C20 | 114.4° | 113.7° |
| C15 | N5 | C16 | 108.7° | 110.9° |
| N5 | C15 | H15 | 114.5° | 113.0° |
| C15 | C20 | N4 | 90.6° | 86.2° |
| C20 | C15 | H15 | 113.6° | 113.7° |
| C15 | C20 | H16 | 114.0° | 113.7° |
| C15 | C20 | H17 | 114.0° | 113.7° |
| C18 | N6 | C21 | 123.9° | 120.9° |
| C18 | N6 | C17 | 116.3° | 118.2° |
| N6 | C18 | H6 | 108.9° | 109.6° |
| N6 | C18 | H7 | 108.9° | 109.6° |
| C20 | N4 | C13 | 124.8° | 111.0° |
| N4 | C20 | H16 | 114.0° | 113.8° |
| N4 | C20 | H17 | 114.0° | 113.9° |
| N4 | C13 | C12 | 121.0° | 120.5° |
| N4 | C13 | N7 | 118.8° | 120.5° |
| N5 | C16 | C17 | 110.2° | 109.4° |
| N5 | C16 | H12 | 109.3° | 109.5° |
| N5 | C16 | H13 | 109.3° | 109.4° |
| N6 | C21 | O1 | 120.5° | 120.1° |
| C21 | N6 | C17 | 119.7° | 120.8° |
| N6 | C17 | C16 | 109.1° | 108.5° |
| N6 | C17 | H10 | 109.6° | 109.7° |
| N6 | C17 | H11 | 109.6° | 109.6° |
| N2 | C6 | C5 | 105.1° | 109.6° |
| C6 | N2 | C11 | 122.5° | 111.0° |
| C6 | N2 | C7 | 116.8° | 111.2° |
| N2 | C6 | H25 | 110.6° | 109.4° |
| N2 | C6 | H26 | 110.6° | 109.5° |
| C6 | C5 | C4 | 110.2° | 109.3° |
| C5 | C6 | H25 | 110.5° | 109.5° |
| C5 | C6 | H26 | 110.5° | 109.5° |
| C6 | C5 | H27 | 109.3° | 109.5° |
| C6 | C5 | H28 | 109.3° | 109.6° |
| C13 | C12 | C11 | 118.5° | 118.3° |
| C12 | C13 | N7 | 120.1° | 119.1° |
| C13 | C12 | H20 | 120.7° | 120.9° |
| C12 | C11 | N2 | 122.8° | 120.5° |
| C12 | C11 | N3 | 119.3° | 119.0° |
| C11 | C12 | H20 | 120.8° | 120.8° |
| C13 | N7 | C10 | 119.8° | 120.9° |
| C16 | C17 | H10 | 109.6° | 109.6° |
| C16 | C17 | H11 | 109.6° | 109.8° |
| C17 | C16 | H12 | 109.3° | 109.5° |
| C17 | C16 | H13 | 109.3° | 109.5° |
| C11 | N2 | C7 | 118.7° | 110.9° |
| N2 | C11 | N3 | 117.9° | 120.5° |
| N2 | C7 | C8 | 104.5° | 109.6° |
| N2 | C7 | H21 | 110.7° | 109.5° |
| N2 | C7 | H22 | 110.7° | 109.5° |
| C5 | C4 | C8 | 111.3° | 109.2° |
| C5 | C4 | C3 | 110.7° | 109.5° |
| C4 | C5 | H27 | 109.3° | 109.4° |
| C4 | C5 | H28 | 109.3° | 109.5° |
| C5 | C4 | H29 | 108.8° | 109.5° |
| C11 | N3 | C10 | 120.8° | 120.9° |
| N7 | C10 | N3 | 121.6° | 121.9° |
| N7 | C10 | C9 | 120.5° | 119.1° |
| N3 | C10 | C9 | 117.9° | 119.1° |
| C10 | C9 | F3 | 108.9° | 109.4° |
| C10 | C9 | F1 | 111.7° | 109.5° |
| C10 | C9 | F2 | 109.3° | 109.5° |
| C7 | C8 | C4 | 111.1° | 109.3° |
| C8 | C7 | H21 | 110.7° | 109.5° |
| C8 | C7 | H22 | 110.7° | 109.5° |
| C7 | C8 | H23 | 109.0° | 109.6° |
| C7 | C8 | H24 | 109.1° | 109.5° |
| C8 | C4 | C3 | 108.1° | 109.5° |
| C4 | C8 | H23 | 109.0° | 109.5° |
| C4 | C8 | H24 | 109.1° | 109.5° |
| C8 | C4 | H29 | 108.9° | 109.5° |
| C4 | C3 | N1 | 124.2° | 124.9° |
| C4 | C3 | S1 | 125.8° | 124.9° |
| C3 | C4 | H29 | 109.0° | 109.6° |
| F3 | C9 | F1 | 110.1° | 109.5° |
| F3 | C9 | F2 | 106.8° | 109.5° |
| F1 | C9 | F2 | 109.9° | 109.5° |
| N1 | C3 | S1 | 109.9° | 110.2° |
| C3 | N1 | C1 | 114.7° | 117.1° |
| C3 | S1 | C2 | 92.7° | 90.3° |
| N1 | C1 | C2 | 115.5° | 114.5° |
| N1 | C1 | H30 | 122.2° | 122.8° |
| S1 | C2 | C1 | 107.1° | 107.9° |
| S1 | C2 | H31 | 126.5° | 126.1° |
| C2 | C1 | H30 | 122.2° | 122.7° |
| C1 | C2 | H31 | 126.5° | 126.0° |
| H1 | C23 | H2 | 109.5° | 109.5° |
| H1 | C23 | H3 | 109.5° | 109.5° |
| H2 | C23 | H3 | 109.5° | 109.5° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H6 | C18 | H7 | 109.5° | 109.6° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.6° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 113.0° |
| H18 | C14 | H19 | 109.5° | 113.0° |
| H21 | C7 | H22 | 109.5° | 109.4° |
| H23 | C8 | H24 | 109.5° | 109.5° |
| H25 | C6 | H26 | 109.5° | 109.4° |
| H27 | C5 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | N5 | H8 | 120.6° | 120.0° |
| C18 | C19 | N5 | H9 | 120.6° | 120.0° |
| C18 | C19 | N5 | C15 | 173.1° | 172.8° |
| C19 | C18 | N6 | H6 | 120.4° | 119.7° |
| C19 | C18 | N6 | H7 | 120.4° | 119.9° |
| C18 | C19 | N5 | C16 | 56.2° | 63.4° |
| C19 | C18 | N6 | C21 | 137.3° | 128.8° |
| C19 | C18 | N6 | C17 | 43.8° | 50.9° |
| C19 | C18 | H6 | H7 | 118.8° | 120.6° |
| C18 | C19 | H8 | H9 | 118.1° | 120.1° |
| C19 | N5 | C15 | C14 | 80.5° | 83.3° |
| C19 | N5 | C15 | C16 | 116.9° | 124.0° |
| C19 | N5 | C15 | C20 | 176.3° | 180.0° |
| N5 | C19 | C18 | N6 | 45.9° | 53.8° |
| C19 | N5 | C16 | C17 | 63.2° | 63.4° |
| N5 | C19 | C18 | H6 | 166.3° | 65.9° |
| N5 | C19 | C18 | H7 | 74.5° | 173.7° |
| N5 | C19 | H8 | H9 | 118.1° | 120.1° |
| C19 | N5 | C16 | H12 | 176.7° | 56.7° |
| C19 | N5 | C16 | H13 | 56.9° | 176.7° |
| C19 | N5 | C15 | H15 | 50.2° | 48.4° |
| C23 | C22 | C21 | H4 | 120.8° | 120.0° |
| C23 | C22 | C21 | H5 | 120.8° | 119.9° |
| C23 | C22 | C21 | N6 | 112.0° | 180.0° |
| C23 | C22 | C21 | O1 | 65.9° | 0.0° |
| C22 | C23 | H1 | H2 | 120.0° | 120.1° |
| C22 | C23 | H1 | H3 | 120.0° | 119.9° |
| C22 | C23 | H2 | H3 | 120.0° | 119.9° |
| C23 | C22 | H4 | H5 | 117.5° | 120.0° |
| C22 | C21 | N6 | C18 | 2.9° | 0.3° |
| C22 | C21 | N6 | O1 | 177.9° | 180.0° |
| C22 | C21 | N6 | C17 | 178.2° | 180.0° |
| C21 | C22 | C23 | H1 | 180.0° | 60.1° |
| C21 | C22 | C23 | H2 | 60.0° | 60.0° |
| C21 | C22 | C23 | H3 | 60.0° | 180.0° |
| C21 | C22 | H4 | H5 | 117.5° | 120.0° |
| C15 | C14 | N4 | H18 | 116.7° | 114.3° |
| C15 | C14 | N4 | H19 | 116.7° | 114.4° |
| C14 | C15 | N5 | C20 | 95.8° | 96.7° |
| C14 | C15 | N5 | H15 | 130.6° | 131.7° |
| C14 | C15 | C20 | H15 | 114.1° | 114.4° |
| C15 | C14 | N4 | C20 | 10.5° | 24.7° |
| C15 | C14 | N4 | C13 | 147.4° | 137.6° |
| C14 | C15 | N5 | C16 | 162.6° | 152.7° |
| C14 | C15 | C20 | H16 | 126.8° | 138.0° |
| C14 | C15 | C20 | H17 | 106.6° | 90.8° |
| C15 | C14 | H18 | H19 | 128.9° | 131.7° |
| N4 | C14 | C15 | N5 | 124.9° | 138.1° |
| C14 | N4 | C20 | C13 | 139.0° | 112.9° |
| C14 | N4 | C13 | C12 | 18.1° | 179.7° |
| C14 | N4 | C13 | N7 | 159.7° | 0.0° |
| N4 | C14 | C15 | H15 | 104.0° | 90.7° |
| C14 | N4 | C20 | H16 | 127.2° | 139.0° |
| C14 | N4 | C20 | H17 | 106.2° | 89.6° |
| N4 | C14 | H18 | H19 | 128.9° | 131.7° |
| N5 | C15 | C20 | H15 | 134.0° | 131.2° |
| N5 | C15 | C20 | N4 | 122.1° | 138.1° |
| C15 | N5 | C16 | C17 | 178.7° | 172.7° |
| C15 | N5 | C19 | H8 | 66.2° | 52.8° |
| C15 | N5 | C19 | H9 | 52.5° | 67.3° |
| C15 | N5 | C16 | H12 | 61.2° | 67.3° |
| C15 | N5 | C16 | H13 | 58.7° | 52.7° |
| N5 | C15 | C20 | H16 | 121.2° | 107.6° |
| N5 | C15 | C20 | H17 | 5.4° | 23.6° |
| N5 | C15 | C14 | H18 | 8.2° | 23.7° |
| N5 | C15 | C14 | H19 | 118.4° | 107.6° |
| C15 | C20 | N4 | H16 | 116.7° | 114.3° |
| C15 | C20 | N4 | H17 | 116.7° | 114.3° |
| C15 | C20 | N4 | C13 | 149.5° | 137.6° |
| C20 | C15 | N5 | C16 | 66.8° | 56.0° |
| C15 | C20 | H16 | H17 | 128.9° | 131.6° |
| C20 | C15 | C14 | H18 | 106.5° | 90.6° |
| C20 | C15 | C14 | H19 | 126.8° | 138.1° |
| C18 | N6 | C21 | C17 | 178.9° | 179.7° |
| C18 | N6 | C21 | O1 | 175.0° | 179.7° |
| C18 | N6 | C17 | C16 | 50.7° | 50.9° |
| N6 | C18 | H6 | H7 | 118.9° | 120.4° |
| N6 | C18 | C19 | H8 | 166.5° | 173.8° |
| N6 | C18 | C19 | H9 | 74.7° | 66.2° |
| C18 | N6 | C17 | H10 | 170.7° | 170.6° |
| C18 | N6 | C17 | H11 | 69.2° | 69.0° |
| C20 | N4 | C13 | C12 | 141.9° | 80.3° |
| C20 | N4 | C13 | N7 | 36.0° | 99.4° |
| N4 | C20 | C15 | H15 | 104.0° | 90.7° |
| N4 | C20 | H16 | H17 | 128.9° | 131.8° |
| C20 | N4 | C14 | H18 | 106.2° | 89.6° |
| C20 | N4 | C14 | H19 | 127.2° | 139.0° |
| N4 | C13 | C12 | N7 | 177.8° | 179.7° |
| N4 | C13 | C12 | C11 | 178.8° | 180.0° |
| N4 | C13 | N7 | C10 | 179.1° | 180.0° |
| C13 | N4 | C20 | H16 | 93.8° | 108.1° |
| C13 | N4 | C20 | H17 | 32.8° | 23.3° |
| C13 | N4 | C14 | H18 | 30.7° | 23.3° |
| C13 | N4 | C14 | H19 | 95.8° | 108.1° |
| N4 | C13 | C12 | H20 | 1.2° | 0.1° |
| N5 | C16 | C17 | N6 | 60.0° | 53.9° |
| N5 | C16 | C17 | H12 | 120.1° | 120.1° |
| N5 | C16 | C17 | H13 | 120.1° | 119.9° |
| C16 | N5 | C19 | H8 | 176.8° | 176.7° |
| C16 | N5 | C19 | H9 | 64.4° | 56.6° |
| N5 | C16 | C17 | H10 | 179.9° | 173.7° |
| N5 | C16 | C17 | H11 | 60.0° | 65.9° |
| N5 | C16 | H12 | H13 | 119.7° | 119.9° |
| C16 | N5 | C15 | H15 | 66.8° | 75.6° |
| C21 | N6 | C17 | C16 | 130.3° | 128.8° |
| N6 | C21 | C22 | H4 | 8.8° | 60.0° |
| N6 | C21 | C22 | H5 | 127.2° | 60.1° |
| C21 | N6 | C18 | H6 | 17.0° | 111.5° |
| C21 | N6 | C18 | H7 | 102.3° | 8.9° |
| C21 | N6 | C17 | H10 | 10.4° | 9.1° |
| C21 | N6 | C17 | H11 | 109.7° | 111.3° |
| O1 | C21 | N6 | C17 | 3.9° | 0.0° |
| O1 | C21 | C22 | H4 | 173.3° | 120.0° |
| O1 | C21 | C22 | H5 | 54.9° | 120.0° |
| N6 | C17 | C16 | H10 | 120.0° | 119.7° |
| N6 | C17 | C16 | H11 | 120.0° | 119.8° |
| C17 | N6 | C18 | H6 | 164.1° | 68.8° |
| C17 | N6 | C18 | H7 | 76.6° | 170.8° |
| N6 | C17 | H10 | H11 | 120.2° | 120.4° |
| N6 | C17 | C16 | H12 | 179.9° | 66.1° |
| N6 | C17 | C16 | H13 | 60.1° | 173.8° |
| N2 | C6 | C5 | H25 | 119.3° | 120.0° |
| N2 | C6 | C5 | H26 | 119.3° | 120.1° |
| C6 | N2 | C11 | C12 | 2.2° | 55.8° |
| C6 | N2 | C11 | C7 | 163.4° | 124.2° |
| N2 | C6 | C5 | C4 | 56.4° | 59.2° |
| C6 | N2 | C11 | N3 | 175.1° | 124.2° |
| C6 | N2 | C7 | C8 | 64.7° | 61.7° |
| C6 | N2 | C7 | H21 | 54.5° | 58.4° |
| C6 | N2 | C7 | H22 | 176.1° | 178.2° |
| N2 | C6 | H25 | H26 | 122.1° | 119.9° |
| N2 | C6 | C5 | H27 | 63.7° | 60.7° |
| N2 | C6 | C5 | H28 | 176.5° | 179.1° |
| C5 | C6 | N2 | C11 | 98.3° | 62.3° |
| C5 | C6 | N2 | C7 | 65.3° | 61.7° |
| C6 | C5 | C4 | H27 | 120.1° | 120.0° |
| C6 | C5 | C4 | H28 | 120.1° | 120.0° |
| C6 | C5 | C4 | C8 | 55.9° | 57.6° |
| C6 | C5 | C4 | C3 | 176.2° | 177.6° |
| C5 | C6 | H25 | H26 | 122.0° | 120.0° |
| C6 | C5 | H27 | H28 | 119.7° | 120.2° |
| C6 | C5 | C4 | H29 | 64.0° | 62.3° |
| C13 | C12 | C11 | H20 | 180.0° | 180.0° |
| C13 | C12 | C11 | N2 | 178.4° | 180.0° |
| C13 | C12 | C11 | N3 | 1.1° | 0.0° |
| C12 | C13 | N7 | C10 | 1.3° | 0.2° |
| C11 | C12 | C13 | N7 | 1.0° | 0.3° |
| C12 | C11 | N2 | N3 | 177.3° | 180.0° |
| C12 | C11 | N2 | C7 | 165.6° | 180.0° |
| C12 | C11 | N3 | C10 | 1.5° | 0.2° |
| C13 | N7 | C10 | N3 | 1.6° | 0.0° |
| C13 | N7 | C10 | C9 | 179.4° | 180.0° |
| N7 | C13 | C12 | H20 | 179.0° | 179.8° |
| C16 | C17 | H10 | H11 | 120.1° | 120.5° |
| C17 | C16 | H12 | H13 | 119.7° | 120.1° |
| N2 | C11 | N3 | C10 | 178.9° | 179.7° |
| C11 | N2 | C7 | C8 | 99.6° | 62.4° |
| N2 | C11 | C12 | H20 | 1.6° | 0.0° |
| C11 | N2 | C7 | H21 | 141.2° | 177.6° |
| C11 | N2 | C7 | H22 | 19.6° | 57.7° |
| C11 | N2 | C6 | H25 | 21.0° | 57.7° |
| C11 | N2 | C6 | H26 | 142.4° | 177.6° |
| C7 | N2 | C11 | N3 | 11.7° | 0.0° |
| N2 | C7 | C8 | H21 | 119.2° | 120.0° |
| N2 | C7 | C8 | H22 | 119.2° | 120.1° |
| N2 | C7 | C8 | C4 | 56.1° | 59.1° |
| N2 | C7 | H21 | H22 | 122.3° | 119.9° |
| N2 | C7 | C8 | H23 | 176.3° | 179.1° |
| N2 | C7 | C8 | H24 | 64.2° | 60.8° |
| C7 | N2 | C6 | H25 | 175.4° | 178.2° |
| C7 | N2 | C6 | H26 | 54.0° | 58.4° |
| C5 | C4 | C8 | C7 | 56.1° | 57.6° |
| C5 | C4 | C8 | C3 | 121.8° | 119.9° |
| C5 | C4 | C8 | H29 | 119.9° | 119.9° |
| C5 | C4 | C3 | H29 | 119.6° | 120.1° |
| C5 | C4 | C3 | N1 | 129.0° | 120.0° |
| C5 | C4 | C3 | S1 | 52.7° | 60.3° |
| C5 | C4 | C8 | H23 | 176.4° | 177.6° |
| C5 | C4 | C8 | H24 | 64.1° | 62.3° |
| C4 | C5 | C6 | H25 | 175.7° | 179.2° |
| C4 | C5 | C6 | H26 | 62.9° | 60.9° |
| C4 | C5 | H27 | H28 | 119.7° | 120.0° |
| C11 | N3 | C10 | N7 | 1.8° | 0.3° |
| C11 | N3 | C10 | C9 | 179.2° | 179.8° |
| N3 | C11 | C12 | H20 | 178.9° | 180.0° |
| N7 | C10 | N3 | C9 | 179.0° | 179.9° |
| N7 | C10 | C9 | F3 | 110.1° | 15.0° |
| N7 | C10 | C9 | F1 | 11.8° | 105.0° |
| N7 | C10 | C9 | F2 | 133.6° | 135.0° |
| N3 | C10 | C9 | F3 | 70.9° | 165.0° |
| N3 | C10 | C9 | F1 | 167.2° | 75.0° |
| N3 | C10 | C9 | F2 | 45.4° | 45.1° |
| C10 | C9 | F3 | F1 | 122.8° | 120.1° |
| C10 | C9 | F3 | F2 | 117.9° | 120.0° |
| C10 | C9 | F1 | F2 | 121.4° | 120.0° |
| C7 | C8 | C4 | H23 | 120.2° | 120.0° |
| C7 | C8 | C4 | H24 | 120.3° | 119.9° |
| C7 | C8 | C4 | C3 | 177.9° | 177.5° |
| C8 | C7 | H21 | H22 | 122.3° | 120.0° |
| C7 | C8 | H23 | H24 | 119.3° | 120.1° |
| C7 | C8 | C4 | H29 | 63.8° | 62.3° |
| C8 | C4 | C3 | H29 | 118.2° | 120.2° |
| C8 | C4 | C3 | N1 | 108.8° | 120.3° |
| C8 | C4 | C3 | S1 | 69.5° | 59.4° |
| C4 | C8 | C7 | H21 | 63.2° | 60.9° |
| C4 | C8 | C7 | H22 | 175.3° | 179.2° |
| C4 | C8 | H23 | H24 | 119.3° | 120.1° |
| C8 | C4 | C5 | H27 | 64.2° | 62.3° |
| C8 | C4 | C5 | H28 | 176.1° | 177.6° |
| C4 | C3 | N1 | S1 | 178.6° | 179.7° |
| C4 | C3 | N1 | C1 | 179.0° | 179.9° |
| C4 | C3 | S1 | C2 | 179.2° | 180.0° |
| C3 | C4 | C8 | H23 | 61.8° | 62.5° |
| C3 | C4 | C8 | H24 | 57.7° | 57.6° |
| C3 | C4 | C5 | H27 | 56.1° | 57.6° |
| C3 | C4 | C5 | H28 | 63.6° | 62.4° |
| F3 | C9 | F1 | F2 | 117.4° | 120.0° |
| N1 | C3 | S1 | C2 | 0.6° | 0.3° |
| C3 | N1 | C1 | C2 | 0.1° | 0.0° |
| N1 | C3 | C4 | H29 | 9.3° | 0.1° |
| C3 | N1 | C1 | H30 | 179.9° | 179.9° |
| S1 | C3 | N1 | C1 | 0.4° | 0.3° |
| C3 | S1 | C2 | C1 | 0.7° | 0.3° |
| S1 | C3 | C4 | H29 | 172.3° | 179.6° |
| C3 | S1 | C2 | H31 | 179.3° | 179.9° |
| N1 | C1 | C2 | S1 | 0.6° | 0.2° |
| N1 | C1 | C2 | H30 | 180.0° | 180.0° |
| N1 | C1 | C2 | H31 | 179.4° | 180.0° |
| S1 | C2 | C1 | H31 | 180.0° | 179.8° |
| S1 | C2 | C1 | H30 | 179.4° | 179.8° |
| H1 | C23 | H2 | H3 | 120.0° | 120.0° |
| H1 | C23 | C22 | H4 | 59.2° | 59.9° |
| H1 | C23 | C22 | H5 | 59.2° | 180.0° |
| H2 | C23 | C22 | H4 | 60.8° | 180.0° |
| H2 | C23 | C22 | H5 | 179.2° | 60.0° |
| H3 | C23 | C22 | H4 | 179.2° | 60.0° |
| H3 | C23 | C22 | H5 | 60.9° | 60.0° |
| H6 | C18 | C19 | H8 | 73.1° | 54.1° |
| H6 | C18 | C19 | H9 | 45.7° | 174.1° |
| H7 | C18 | C19 | H8 | 46.1° | 66.4° |
| H7 | C18 | C19 | H9 | 164.9° | 53.7° |
| H10 | C17 | C16 | H12 | 60.0° | 53.6° |
| H10 | C17 | C16 | H13 | 59.8° | 66.5° |
| H11 | C17 | C16 | H12 | 60.1° | 174.1° |
| H11 | C17 | C16 | H13 | 179.9° | 54.0° |
| H15 | C15 | C20 | H16 | 12.7° | 23.6° |
| H15 | C15 | C20 | H17 | 139.4° | 154.8° |
| H15 | C15 | C14 | H18 | 139.3° | 155.0° |
| H15 | C15 | C14 | H19 | 12.7° | 23.7° |
| H21 | C7 | C8 | H23 | 57.1° | 59.1° |
| H21 | C7 | C8 | H24 | 176.6° | 179.2° |
| H22 | C7 | C8 | H23 | 64.5° | 60.8° |
| H22 | C7 | C8 | H24 | 55.0° | 59.3° |
| H23 | C8 | C4 | H29 | 56.4° | 57.7° |
| H24 | C8 | C4 | H29 | 176.0° | 177.8° |
| H25 | C6 | C5 | H27 | 55.6° | 59.3° |
| H25 | C6 | C5 | H28 | 64.1° | 60.9° |
| H26 | C6 | C5 | H27 | 177.0° | 179.2° |
| H26 | C6 | C5 | H28 | 57.2° | 59.1° |
| H27 | C5 | C4 | H29 | 175.9° | 177.8° |
| H28 | C5 | C4 | H29 | 56.1° | 57.7° |
| H30 | C1 | C2 | H31 | 0.6° | 0.0° |
