CT9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C4 | sing | 1.47Å | 1.48Å | |
| N8 | HN81 | sing | 1.01Å | 1.02Å | |
| N8 | HN82 | sing | 1.01Å | 1.02Å | |
| C61 | N6 | sing | 1.46Å | 1.47Å | |
| C61 | H611 | sing | 1.09Å | 1.11Å | |
| C61 | H612 | sing | 1.09Å | 1.12Å | |
| C61 | H613 | sing | 1.09Å | 1.11Å | |
| S1 | N6 | sing | 1.66Å | 1.62Å | |
| S1 | O2 | doub | 1.42Å | 1.47Å | |
| S1 | C16 | sing | 1.76Å | 1.78Å | |
| S1 | O3 | doub | 1.42Å | 1.46Å | |
| N6 | C62 | sing | 1.46Å | 1.47Å | |
| C62 | H621 | sing | 1.09Å | 1.11Å | |
| C62 | H622 | sing | 1.09Å | 1.11Å | |
| C62 | H623 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C1 | sing | 1.53Å | 1.51Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C1 | N7 | sing | 1.46Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| N7 | C7 | sing | 1.39Å | 1.34Å | |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.10Å | |
| N1 | C10 | sing | 1.34Å | 1.32Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | N2 | sing | 1.37Å | 1.32Å | Aromatic |
| C11 | C20 | sing | 1.51Å | 1.48Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.50Å | |
| C20 | C22 | sing | 1.53Å | 1.49Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.12Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å | |
| C12 | N3 | doub | 1.31Å | 1.36Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| N2 | N3 | sing | 1.40Å | 1.33Å | Aromatic |
| N2 | C9 | sing | 1.37Å | 1.33Å | Aromatic |
| C9 | N5 | sing | 1.38Å | 1.36Å | |
| N5 | C13 | sing | 1.40Å | 1.34Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C13 | C18 | doub | 1.39Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N8 | HN81 | 112.3° | 106.7° |
| C4 | N8 | HN82 | 109.3° | 106.8° |
| N8 | C4 | C5 | 109.3° | 109.5° |
| N8 | C4 | C3 | 109.4° | 109.5° |
| N8 | C4 | H4 | 109.8° | 109.4° |
| HN81 | N8 | HN82 | 112.3° | 106.6° |
| N6 | C61 | H611 | 109.0° | 109.4° |
| N6 | C61 | H612 | 118.3° | 109.5° |
| N6 | C61 | H613 | 109.0° | 109.5° |
| C61 | N6 | S1 | 118.3° | 120.0° |
| C61 | N6 | C62 | 119.6° | 120.0° |
| H611 | C61 | H612 | 109.0° | 109.5° |
| H611 | C61 | H613 | 101.0° | 109.5° |
| H612 | C61 | H613 | 109.0° | 109.5° |
| N6 | S1 | O2 | 106.2° | 105.7° |
| N6 | S1 | C16 | 109.9° | 107.4° |
| N6 | S1 | O3 | 111.4° | 105.7° |
| S1 | N6 | C62 | 122.1° | 120.0° |
| O2 | S1 | C16 | 108.2° | 105.8° |
| O2 | S1 | O3 | 116.0° | 125.4° |
| C16 | S1 | O3 | 105.0° | 105.8° |
| S1 | C16 | C17 | 117.7° | 120.0° |
| S1 | C16 | C15 | 121.2° | 120.0° |
| N6 | C62 | H621 | 108.6° | 109.5° |
| N6 | C62 | H622 | 119.6° | 109.4° |
| N6 | C62 | H623 | 108.6° | 109.5° |
| H621 | C62 | H622 | 108.6° | 109.5° |
| H621 | C62 | H623 | 101.4° | 109.5° |
| H622 | C62 | H623 | 108.6° | 109.5° |
| C5 | C4 | C3 | 110.0° | 109.5° |
| C5 | C4 | H4 | 109.2° | 109.5° |
| C4 | C5 | C6 | 109.9° | 109.5° |
| C4 | C5 | H51 | 112.0° | 109.5° |
| C4 | C5 | H52 | 112.0° | 109.4° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| C4 | C3 | C2 | 109.7° | 109.5° |
| C4 | C3 | H31 | 112.1° | 109.4° |
| C4 | C3 | H32 | 112.1° | 109.5° |
| C6 | C5 | H51 | 112.1° | 109.5° |
| C6 | C5 | H52 | 112.0° | 109.5° |
| C5 | C6 | C1 | 109.1° | 109.5° |
| C5 | C6 | H61 | 112.3° | 109.5° |
| C5 | C6 | H62 | 112.3° | 109.5° |
| H51 | C5 | H52 | 98.4° | 109.5° |
| C1 | C6 | H61 | 112.3° | 109.5° |
| C1 | C6 | H62 | 112.3° | 109.5° |
| C6 | C1 | C2 | 109.2° | 109.4° |
| C6 | C1 | N7 | 105.3° | 109.4° |
| C6 | C1 | H1 | 111.0° | 109.4° |
| H61 | C6 | H62 | 98.1° | 109.4° |
| C2 | C3 | H31 | 112.1° | 109.5° |
| C2 | C3 | H32 | 112.1° | 109.5° |
| C3 | C2 | C1 | 109.3° | 109.4° |
| C3 | C2 | H21 | 112.3° | 109.5° |
| C3 | C2 | H22 | 112.3° | 109.5° |
| H31 | C3 | H32 | 98.3° | 109.5° |
| C1 | C2 | H21 | 112.3° | 109.4° |
| C1 | C2 | H22 | 112.3° | 109.5° |
| C2 | C1 | N7 | 105.2° | 109.5° |
| C2 | C1 | H1 | 111.1° | 109.5° |
| H21 | C2 | H22 | 98.1° | 109.5° |
| N7 | C1 | H1 | 114.6° | 109.5° |
| C1 | N7 | C7 | 129.6° | 119.9° |
| C1 | N7 | HN7 | 105.2° | 120.0° |
| C7 | N7 | HN7 | 105.2° | 120.0° |
| N7 | C7 | C8 | 122.8° | 119.9° |
| N7 | C7 | N1 | 117.0° | 120.0° |
| C8 | C7 | N1 | 120.0° | 120.2° |
| C7 | C8 | C9 | 119.0° | 119.3° |
| C7 | C8 | H8 | 120.2° | 120.4° |
| C7 | N1 | C10 | 119.0° | 121.0° |
| C9 | C8 | H8 | 120.9° | 120.3° |
| C8 | C9 | N2 | 117.6° | 119.1° |
| C8 | C9 | N5 | 123.3° | 120.4° |
| N1 | C10 | C11 | 126.9° | 132.5° |
| N1 | C10 | N2 | 123.2° | 120.6° |
| C11 | C10 | N2 | 110.0° | 106.9° |
| C10 | C11 | C20 | 125.4° | 126.2° |
| C10 | C11 | C12 | 104.8° | 107.6° |
| C10 | N2 | N3 | 109.1° | 107.7° |
| C10 | N2 | C9 | 121.2° | 119.9° |
| C20 | C11 | C12 | 129.7° | 126.2° |
| C11 | C20 | C21 | 119.6° | 109.6° |
| C11 | C20 | C22 | 115.7° | 109.5° |
| C11 | C20 | H20 | 96.5° | 109.4° |
| C11 | C12 | N3 | 108.0° | 108.9° |
| C11 | C12 | H12 | 126.9° | 125.5° |
| C21 | C20 | C22 | 112.0° | 109.5° |
| C21 | C20 | H20 | 102.1° | 109.5° |
| C20 | C21 | H211 | 108.6° | 109.6° |
| C20 | C21 | H212 | 119.6° | 109.5° |
| C20 | C21 | H213 | 108.6° | 109.5° |
| C22 | C20 | H20 | 107.8° | 109.4° |
| C20 | C22 | H221 | 109.9° | 109.4° |
| C20 | C22 | H222 | 115.7° | 109.5° |
| C20 | C22 | H223 | 109.9° | 109.5° |
| H211 | C21 | H212 | 108.6° | 109.4° |
| H211 | C21 | H213 | 101.4° | 109.4° |
| H212 | C21 | H213 | 108.5° | 109.4° |
| H221 | C22 | H222 | 109.9° | 109.5° |
| H221 | C22 | H223 | 100.3° | 109.4° |
| H222 | C22 | H223 | 109.9° | 109.5° |
| N3 | C12 | H12 | 125.1° | 125.6° |
| C12 | N3 | N2 | 108.1° | 108.9° |
| N3 | N2 | C9 | 129.7° | 132.5° |
| N2 | C9 | N5 | 119.1° | 120.5° |
| C9 | N5 | C13 | 122.9° | 120.0° |
| C9 | N5 | HN5 | 107.4° | 120.0° |
| C13 | N5 | HN5 | 107.4° | 120.0° |
| N5 | C13 | C18 | 118.9° | 120.1° |
| N5 | C13 | C14 | 120.1° | 120.1° |
| C18 | C13 | C14 | 121.0° | 119.8° |
| C13 | C18 | C17 | 118.6° | 120.0° |
| C13 | C18 | H18 | 121.6° | 120.1° |
| C13 | C14 | C15 | 119.1° | 119.8° |
| C13 | C14 | H14 | 121.0° | 120.0° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C18 | C17 | C16 | 120.5° | 120.1° |
| C18 | C17 | H17 | 119.1° | 120.0° |
| C16 | C17 | H17 | 120.4° | 119.9° |
| C17 | C16 | C15 | 121.1° | 120.1° |
| C15 | C14 | H14 | 119.8° | 120.1° |
| C14 | C15 | C16 | 119.7° | 120.2° |
| C14 | C15 | H15 | 120.5° | 119.9° |
| C16 | C15 | H15 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N8 | HN81 | HN82 | 123.6° | 113.9° |
| N8 | C4 | C5 | C3 | 120.2° | 120.0° |
| N8 | C4 | C5 | H4 | 120.1° | 119.9° |
| N8 | C4 | C3 | H4 | 120.1° | 120.0° |
| N8 | C4 | C5 | C6 | 178.0° | 180.0° |
| N8 | C4 | C5 | H51 | 52.7° | 60.0° |
| N8 | C4 | C5 | H52 | 56.8° | 60.0° |
| N8 | C4 | C3 | C2 | 177.3° | 180.0° |
| N8 | C4 | C3 | H31 | 57.5° | 60.0° |
| N8 | C4 | C3 | H32 | 52.0° | 60.0° |
| HN81 | N8 | C4 | C5 | 54.7° | 180.0° |
| HN81 | N8 | C4 | C3 | 175.3° | 60.0° |
| HN81 | N8 | C4 | H4 | 65.1° | 60.0° |
| HN82 | N8 | C4 | C5 | 180.0° | 66.2° |
| HN82 | N8 | C4 | C3 | 59.5° | 173.8° |
| HN82 | N8 | C4 | H4 | 60.2° | 53.7° |
| N6 | C61 | H611 | H612 | 130.5° | 120.0° |
| N6 | C61 | H611 | H613 | 114.7° | 120.0° |
| N6 | C61 | H612 | H613 | 125.3° | 120.0° |
| C61 | N6 | S1 | C62 | 179.7° | 180.0° |
| C61 | N6 | S1 | O2 | 28.5° | 22.6° |
| C61 | N6 | S1 | C16 | 88.3° | 90.0° |
| C61 | N6 | S1 | O3 | 155.7° | 157.4° |
| C61 | N6 | C62 | H621 | 54.7° | 180.0° |
| C61 | N6 | C62 | H622 | 180.0° | 60.0° |
| C61 | N6 | C62 | H623 | 54.7° | 60.0° |
| H611 | C61 | H612 | H613 | 109.5° | 120.0° |
| H611 | C61 | N6 | S1 | 54.7° | 180.0° |
| H611 | C61 | N6 | C62 | 125.5° | 0.0° |
| H612 | C61 | N6 | S1 | 180.0° | 59.9° |
| H612 | C61 | N6 | C62 | 0.3° | 120.0° |
| H613 | C61 | N6 | S1 | 54.7° | 60.0° |
| H613 | C61 | N6 | C62 | 125.0° | 120.0° |
| N6 | S1 | O2 | C16 | 118.0° | 113.7° |
| N6 | S1 | O2 | O3 | 124.4° | 123.1° |
| N6 | S1 | C16 | O3 | 119.9° | 112.6° |
| S1 | N6 | C62 | H621 | 125.6° | 0.0° |
| S1 | N6 | C62 | H622 | 0.3° | 120.0° |
| S1 | N6 | C62 | H623 | 125.0° | 120.1° |
| N6 | S1 | C16 | C17 | 66.2° | 90.0° |
| N6 | S1 | C16 | C15 | 113.0° | 90.1° |
| O2 | S1 | C16 | O3 | 124.4° | 134.9° |
| O2 | S1 | N6 | C62 | 151.7° | 157.4° |
| O2 | S1 | C16 | C17 | 178.2° | 157.4° |
| O2 | S1 | C16 | C15 | 2.6° | 22.5° |
| C16 | S1 | N6 | C62 | 91.4° | 90.0° |
| S1 | C16 | C17 | C18 | 179.1° | 180.0° |
| S1 | C16 | C17 | C15 | 179.2° | 179.9° |
| S1 | C16 | C17 | H17 | 0.9° | 0.0° |
| S1 | C16 | C15 | C14 | 179.4° | 179.7° |
| S1 | C16 | C15 | H15 | 0.6° | 0.1° |
| O3 | S1 | N6 | C62 | 24.6° | 22.6° |
| O3 | S1 | C16 | C17 | 53.8° | 22.5° |
| O3 | S1 | C16 | C15 | 127.1° | 157.4° |
| N6 | C62 | H621 | H622 | 131.5° | 120.0° |
| N6 | C62 | H621 | H623 | 114.2° | 120.0° |
| N6 | C62 | H622 | H623 | 125.3° | 120.0° |
| H621 | C62 | H622 | H623 | 109.5° | 120.0° |
| C5 | C4 | C3 | H4 | 119.8° | 120.0° |
| C4 | C5 | C6 | H51 | 125.2° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 118.0° | 120.0° |
| C4 | C5 | C6 | C1 | 60.3° | 60.0° |
| C4 | C5 | C6 | H61 | 174.5° | 60.0° |
| C4 | C5 | C6 | H62 | 65.0° | 180.0° |
| C5 | C4 | C3 | C2 | 57.1° | 60.0° |
| C5 | C4 | C3 | H31 | 177.6° | 180.0° |
| C5 | C4 | C3 | H32 | 68.1° | 60.0° |
| C3 | C4 | C5 | C6 | 57.8° | 60.0° |
| C3 | C4 | C5 | H51 | 67.5° | 180.0° |
| C3 | C4 | C5 | H52 | 177.0° | 60.0° |
| C4 | C3 | C2 | H31 | 125.3° | 120.0° |
| C4 | C3 | C2 | H32 | 125.3° | 120.0° |
| C4 | C3 | H31 | H32 | 118.0° | 120.0° |
| C4 | C3 | C2 | C1 | 59.2° | 60.1° |
| C4 | C3 | C2 | H21 | 66.1° | 180.0° |
| C4 | C3 | C2 | H22 | 175.6° | 59.9° |
| H4 | C4 | C5 | C6 | 61.9° | 60.1° |
| H4 | C4 | C5 | H51 | 172.8° | 59.9° |
| H4 | C4 | C5 | H52 | 63.3° | 179.9° |
| H4 | C4 | C3 | C2 | 62.6° | 60.0° |
| H4 | C4 | C3 | H31 | 62.6° | 60.0° |
| H4 | C4 | C3 | H32 | 172.1° | 179.9° |
| C6 | C5 | H51 | H52 | 117.9° | 120.0° |
| C5 | C6 | C1 | H61 | 125.3° | 120.0° |
| C5 | C6 | C1 | H62 | 125.3° | 120.1° |
| C5 | C6 | H61 | H62 | 118.3° | 120.0° |
| C5 | C6 | C1 | C2 | 62.3° | 60.0° |
| C5 | C6 | C1 | N7 | 174.9° | 60.0° |
| C5 | C6 | C1 | H1 | 60.5° | 180.0° |
| H51 | C5 | C6 | C1 | 65.0° | 180.0° |
| H51 | C5 | C6 | H61 | 60.3° | 60.0° |
| H51 | C5 | C6 | H62 | 169.7° | 59.9° |
| H52 | C5 | C6 | C1 | 174.5° | 60.0° |
| H52 | C5 | C6 | H61 | 49.2° | 180.0° |
| H52 | C5 | C6 | H62 | 60.3° | 60.1° |
| C1 | C6 | H61 | H62 | 118.2° | 120.0° |
| C6 | C1 | C2 | C3 | 61.9° | 60.0° |
| C6 | C1 | C2 | N7 | 112.6° | 120.0° |
| C6 | C1 | C2 | H1 | 122.7° | 119.9° |
| C6 | C1 | C2 | H21 | 63.4° | 180.0° |
| C6 | C1 | C2 | H22 | 172.8° | 60.0° |
| C6 | C1 | N7 | H1 | 122.3° | 119.9° |
| C6 | C1 | N7 | C7 | 32.4° | 150.0° |
| C6 | C1 | N7 | HN7 | 92.9° | 30.1° |
| H61 | C6 | C1 | C2 | 172.4° | 60.0° |
| H61 | C6 | C1 | N7 | 59.8° | 180.0° |
| H61 | C6 | C1 | H1 | 64.8° | 60.0° |
| H62 | C6 | C1 | C2 | 63.0° | 179.9° |
| H62 | C6 | C1 | N7 | 49.6° | 60.0° |
| H62 | C6 | C1 | H1 | 174.2° | 60.0° |
| C2 | C3 | H31 | H32 | 118.0° | 120.0° |
| C3 | C2 | C1 | H21 | 125.3° | 120.0° |
| C3 | C2 | C1 | H22 | 125.3° | 120.0° |
| C3 | C2 | H21 | H22 | 118.2° | 120.0° |
| C3 | C2 | C1 | N7 | 174.5° | 59.9° |
| C3 | C2 | C1 | H1 | 60.9° | 180.0° |
| H31 | C3 | C2 | C1 | 175.6° | 179.9° |
| H31 | C3 | C2 | H21 | 59.2° | 60.0° |
| H31 | C3 | C2 | H22 | 50.3° | 60.0° |
| H32 | C3 | C2 | C1 | 66.1° | 59.9° |
| H32 | C3 | C2 | H21 | 168.7° | 60.0° |
| H32 | C3 | C2 | H22 | 59.2° | 180.0° |
| C1 | C2 | H21 | H22 | 118.2° | 120.0° |
| C2 | C1 | N7 | H1 | 122.4° | 120.1° |
| C2 | C1 | N7 | C7 | 147.7° | 90.0° |
| C2 | C1 | N7 | HN7 | 22.5° | 89.9° |
| H21 | C2 | C1 | N7 | 49.2° | 60.0° |
| H21 | C2 | C1 | H1 | 173.9° | 60.1° |
| H22 | C2 | C1 | N7 | 60.2° | 179.9° |
| H22 | C2 | C1 | H1 | 64.4° | 60.0° |
| C1 | N7 | C7 | HN7 | 125.2° | 179.9° |
| C1 | N7 | C7 | C8 | 113.6° | 180.0° |
| C1 | N7 | C7 | N1 | 71.1° | 0.0° |
| H1 | C1 | N7 | C7 | 89.9° | 30.1° |
| H1 | C1 | N7 | HN7 | 144.9° | 150.0° |
| N7 | C7 | C8 | N1 | 175.2° | 180.0° |
| N7 | C7 | C8 | C9 | 176.8° | 180.0° |
| N7 | C7 | C8 | H8 | 3.2° | 0.0° |
| N7 | C7 | N1 | C10 | 177.4° | 179.8° |
| HN7 | N7 | C7 | C8 | 121.1° | 0.1° |
| HN7 | N7 | C7 | N1 | 54.2° | 179.9° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C8 | C7 | N1 | C10 | 2.0° | 0.2° |
| C7 | C8 | C9 | N2 | 1.4° | 0.1° |
| C7 | C8 | C9 | N5 | 178.8° | 180.0° |
| N1 | C7 | C8 | C9 | 1.6° | 0.0° |
| N1 | C7 | C8 | H8 | 178.4° | 180.0° |
| C7 | N1 | C10 | C11 | 178.4° | 179.6° |
| C7 | N1 | C10 | N2 | 2.2° | 0.5° |
| C8 | C9 | N2 | C10 | 1.6° | 0.4° |
| C8 | C9 | N2 | N3 | 179.5° | 179.9° |
| C8 | C9 | N2 | N5 | 179.8° | 180.0° |
| C8 | C9 | N5 | C13 | 14.4° | 122.0° |
| C8 | C9 | N5 | HN5 | 139.7° | 58.1° |
| H8 | C8 | C9 | N2 | 178.6° | 179.9° |
| H8 | C8 | C9 | N5 | 1.2° | 0.0° |
| N1 | C10 | C11 | N2 | 179.4° | 179.2° |
| N1 | C10 | C11 | C20 | 1.7° | 0.7° |
| N1 | C10 | C11 | C12 | 179.6° | 179.6° |
| N1 | C10 | N2 | N3 | 179.6° | 179.8° |
| N1 | C10 | N2 | C9 | 2.1° | 0.6° |
| C10 | C11 | C20 | C12 | 177.3° | 179.7° |
| C10 | C11 | C20 | C21 | 86.5° | 119.7° |
| C10 | C11 | C20 | C22 | 52.2° | 120.3° |
| C10 | C11 | C20 | H20 | 165.6° | 0.3° |
| C10 | C11 | C12 | N3 | 0.1° | 0.2° |
| C10 | C11 | C12 | H12 | 180.0° | 179.7° |
| C11 | C10 | N2 | N3 | 0.2° | 0.4° |
| C11 | C10 | N2 | C9 | 178.5° | 179.9° |
| N2 | C10 | C11 | C20 | 177.7° | 179.9° |
| N2 | C10 | C11 | C12 | 0.2° | 0.4° |
| C10 | N2 | N3 | C12 | 0.2° | 0.3° |
| C10 | N2 | N3 | C9 | 178.1° | 179.6° |
| C10 | N2 | C9 | N5 | 178.6° | 179.7° |
| C11 | C20 | C21 | C22 | 140.2° | 120.0° |
| C11 | C20 | C21 | H20 | 104.8° | 120.0° |
| C11 | C20 | C22 | H20 | 106.7° | 119.9° |
| C11 | C20 | C21 | H211 | 54.7° | 180.0° |
| C11 | C20 | C21 | H212 | 180.0° | 60.0° |
| C11 | C20 | C21 | H213 | 54.7° | 60.0° |
| C11 | C20 | C22 | H221 | 54.7° | 60.1° |
| C11 | C20 | C22 | H222 | 180.0° | 59.9° |
| C11 | C20 | C22 | H223 | 54.8° | 180.0° |
| C20 | C11 | C12 | N3 | 177.6° | 179.9° |
| C20 | C11 | C12 | H12 | 2.3° | 0.0° |
| C12 | C11 | C20 | C21 | 96.2° | 59.9° |
| C12 | C11 | C20 | C22 | 125.0° | 60.1° |
| C12 | C11 | C20 | H20 | 11.7° | 180.0° |
| C11 | C12 | N3 | H12 | 180.0° | 180.0° |
| C11 | C12 | N3 | N2 | 0.1° | 0.1° |
| C21 | C20 | C22 | H20 | 111.5° | 120.0° |
| C20 | C21 | H211 | H212 | 131.5° | 120.1° |
| C20 | C21 | H211 | H213 | 114.3° | 120.1° |
| C20 | C21 | H212 | H213 | 125.3° | 120.0° |
| C21 | C20 | C22 | H221 | 87.1° | 60.0° |
| C21 | C20 | C22 | H222 | 38.2° | 180.0° |
| C21 | C20 | C22 | H223 | 163.4° | 59.9° |
| C22 | C20 | C21 | H211 | 165.1° | 59.9° |
| C22 | C20 | C21 | H212 | 39.8° | 180.0° |
| C22 | C20 | C21 | H213 | 85.4° | 60.0° |
| C20 | C22 | H221 | H222 | 128.5° | 120.0° |
| C20 | C22 | H221 | H223 | 115.8° | 120.0° |
| C20 | C22 | H222 | H223 | 125.3° | 120.0° |
| H20 | C20 | C21 | H211 | 50.1° | 60.0° |
| H20 | C20 | C21 | H212 | 75.2° | 60.0° |
| H20 | C20 | C21 | H213 | 159.6° | 180.0° |
| H20 | C20 | C22 | H221 | 161.4° | 180.0° |
| H20 | C20 | C22 | H222 | 73.3° | 60.0° |
| H20 | C20 | C22 | H223 | 51.9° | 60.0° |
| H211 | C21 | H212 | H213 | 109.5° | 119.8° |
| H221 | C22 | H222 | H223 | 109.5° | 120.0° |
| C12 | N3 | N2 | C9 | 178.3° | 179.9° |
| H12 | C12 | N3 | N2 | 179.9° | 180.0° |
| N3 | N2 | C9 | N5 | 0.7° | 0.1° |
| N2 | C9 | N5 | C13 | 165.8° | 58.0° |
| N2 | C9 | N5 | HN5 | 40.5° | 121.9° |
| C9 | N5 | C13 | HN5 | 125.3° | 179.9° |
| C9 | N5 | C13 | C18 | 40.1° | 172.9° |
| C9 | N5 | C13 | C14 | 140.4° | 7.4° |
| N5 | C13 | C18 | C14 | 179.5° | 179.7° |
| N5 | C13 | C18 | C17 | 179.3° | 180.0° |
| N5 | C13 | C18 | H18 | 0.7° | 0.0° |
| N5 | C13 | C14 | C15 | 179.6° | 179.7° |
| N5 | C13 | C14 | H14 | 0.4° | 0.3° |
| HN5 | N5 | C13 | C18 | 85.2° | 7.0° |
| HN5 | N5 | C13 | C14 | 94.4° | 172.6° |
| C13 | C18 | C17 | H18 | 180.0° | 180.0° |
| C13 | C18 | C17 | C16 | 0.3° | 0.0° |
| C13 | C18 | C17 | H17 | 179.7° | 180.0° |
| C18 | C13 | C14 | C15 | 0.1° | 0.6° |
| C18 | C13 | C14 | H14 | 179.9° | 180.0° |
| C14 | C13 | C18 | C17 | 0.2° | 0.3° |
| C14 | C13 | C18 | H18 | 179.8° | 179.7° |
| C13 | C14 | C15 | H14 | 180.0° | 179.4° |
| C13 | C14 | C15 | C16 | 0.3° | 0.6° |
| C13 | C14 | C15 | H15 | 179.7° | 179.7° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| H18 | C18 | C17 | C16 | 179.8° | 180.0° |
| H18 | C18 | C17 | H17 | 0.3° | 0.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.4° |
| C17 | C16 | C15 | H15 | 179.8° | 180.0° |
| H17 | C17 | C16 | C15 | 179.9° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| H14 | C14 | C15 | C16 | 179.7° | 179.9° |
| H14 | C14 | C15 | H15 | 0.3° | 0.3° |
