19A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.48Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| N2 | C4 | sing | 1.42Å | 1.40Å | |
| N2 | C3 | sing | 1.46Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C4 | O5 | doub | 1.25Å | 1.22Å | |
| C4 | C6 | sing | 1.43Å | 1.52Å | |
| C6 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C12 | sing | 1.45Å | 1.52Å | Aromatic |
| C9 | N10 | sing | 1.37Å | 1.36Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 1.01Å | 1.00Å | |
| C12 | N13 | doub | 1.34Å | 1.33Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.45Å | Aromatic |
| N13 | N14 | sing | 1.34Å | 1.39Å | Aromatic |
| N14 | C16 | sing | 1.36Å | 1.34Å | Aromatic |
| N14 | HN14 | sing | 1.01Å | 1.00Å | |
| C16 | C17 | doub | 1.37Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.44Å | 1.51Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C18 | C23 | doub | 1.40Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | C21 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C21 | C22 | doub | 1.39Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | H11 | 109.5° | 110.1° |
| N2 | C1 | H12 | 109.5° | 110.2° |
| N2 | C1 | H13 | 109.5° | 110.2° |
| C1 | N2 | C4 | 119.3° | 122.1° |
| C1 | N2 | C3 | 117.3° | 115.7° |
| H11 | C1 | H12 | 109.5° | 108.8° |
| H11 | C1 | H13 | 109.4° | 108.8° |
| H12 | C1 | H13 | 109.5° | 108.7° |
| C4 | N2 | C3 | 123.4° | 122.2° |
| N2 | C4 | O5 | 118.0° | 122.1° |
| N2 | C4 | C6 | 125.2° | 119.8° |
| N2 | C3 | H31 | 109.5° | 110.1° |
| N2 | C3 | H32 | 109.4° | 110.2° |
| N2 | C3 | H33 | 109.4° | 110.2° |
| H31 | C3 | H32 | 109.5° | 108.7° |
| H31 | C3 | H33 | 109.4° | 108.8° |
| H32 | C3 | H33 | 109.5° | 108.8° |
| O5 | C4 | C6 | 116.8° | 118.0° |
| C4 | C6 | N10 | 125.6° | 123.8° |
| C4 | C6 | C7 | 128.5° | 128.4° |
| N10 | C6 | C7 | 105.9° | 107.9° |
| C6 | N10 | C9 | 109.7° | 109.6° |
| C6 | N10 | HN10 | 125.2° | 125.3° |
| C6 | C7 | C8 | 109.5° | 107.2° |
| C6 | C7 | H7 | 125.3° | 125.6° |
| C8 | C7 | H7 | 125.2° | 127.2° |
| C7 | C8 | C9 | 106.1° | 107.7° |
| C7 | C8 | C12 | 127.0° | 124.8° |
| C9 | C8 | C12 | 126.9° | 127.5° |
| C8 | C9 | N10 | 108.8° | 107.7° |
| C8 | C9 | H9 | 125.6° | 131.9° |
| C8 | C12 | N13 | 123.7° | 122.4° |
| C8 | C12 | C17 | 129.6° | 125.0° |
| N10 | C9 | H9 | 125.6° | 120.4° |
| C9 | N10 | HN10 | 125.1° | 125.1° |
| N13 | C12 | C17 | 106.7° | 112.6° |
| C12 | N13 | N14 | 109.2° | 103.1° |
| C12 | C17 | C16 | 106.5° | 104.7° |
| C12 | C17 | C18 | 129.3° | 132.0° |
| N13 | N14 | C16 | 109.0° | 113.8° |
| N13 | N14 | HN14 | 125.5° | 118.3° |
| C16 | N14 | HN14 | 125.5° | 127.9° |
| N14 | C16 | C17 | 108.5° | 105.7° |
| N14 | C16 | H16 | 125.8° | 121.3° |
| C17 | C16 | H16 | 125.7° | 132.9° |
| C16 | C17 | C18 | 124.1° | 123.3° |
| C17 | C18 | C19 | 122.8° | 120.0° |
| C17 | C18 | C23 | 118.0° | 120.0° |
| C19 | C18 | C23 | 119.2° | 120.0° |
| C18 | C19 | C20 | 120.3° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.9° |
| C18 | C23 | C22 | 120.3° | 120.0° |
| C18 | C23 | H23 | 119.9° | 120.9° |
| C20 | C19 | H19 | 119.9° | 119.1° |
| C19 | C20 | C21 | 119.6° | 120.0° |
| C19 | C20 | H20 | 120.2° | 120.0° |
| C21 | C20 | H20 | 120.2° | 120.1° |
| C20 | C21 | C22 | 120.6° | 120.0° |
| C20 | C21 | H21 | 119.7° | 119.9° |
| C22 | C21 | H21 | 119.7° | 120.0° |
| C21 | C22 | C23 | 120.0° | 120.0° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C23 | C22 | H22 | 120.0° | 120.0° |
| C22 | C23 | H23 | 119.8° | 119.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | H11 | H12 | 120.0° | 120.8° |
| N2 | C1 | H11 | H13 | 120.0° | 120.9° |
| N2 | C1 | H12 | H13 | 120.0° | 120.9° |
| C1 | N2 | C4 | C3 | 180.0° | 179.9° |
| C1 | N2 | C3 | H31 | 92.0° | 103.4° |
| C1 | N2 | C3 | H32 | 28.0° | 16.5° |
| C1 | N2 | C3 | H33 | 148.0° | 136.6° |
| C1 | N2 | C4 | O5 | 0.7° | 0.0° |
| C1 | N2 | C4 | C6 | 179.1° | 179.3° |
| H11 | C1 | H12 | H13 | 120.0° | 118.3° |
| H11 | C1 | N2 | C4 | 52.7° | 164.4° |
| H11 | C1 | N2 | C3 | 127.3° | 15.5° |
| H12 | C1 | N2 | C4 | 172.7° | 75.6° |
| H12 | C1 | N2 | C3 | 7.3° | 104.5° |
| H13 | C1 | N2 | C4 | 67.2° | 44.4° |
| H13 | C1 | N2 | C3 | 112.7° | 135.5° |
| C4 | N2 | C3 | H31 | 87.9° | 76.7° |
| C4 | N2 | C3 | H32 | 152.0° | 163.4° |
| C4 | N2 | C3 | H33 | 32.0° | 43.4° |
| N2 | C4 | O5 | C6 | 179.8° | 179.3° |
| N2 | C4 | C6 | N10 | 160.6° | 89.9° |
| N2 | C4 | C6 | C7 | 20.4° | 89.9° |
| N2 | C3 | H31 | H32 | 120.0° | 120.8° |
| N2 | C3 | H31 | H33 | 120.0° | 120.9° |
| N2 | C3 | H32 | H33 | 120.0° | 120.9° |
| C3 | N2 | C4 | O5 | 179.4° | 179.9° |
| C3 | N2 | C4 | C6 | 0.8° | 0.7° |
| H31 | C3 | H32 | H33 | 120.0° | 118.4° |
| O5 | C4 | C6 | N10 | 19.6° | 89.4° |
| O5 | C4 | C6 | C7 | 159.4° | 90.8° |
| C4 | C6 | N10 | C7 | 179.2° | 179.9° |
| C4 | C6 | C7 | C8 | 179.4° | 180.0° |
| C4 | C6 | C7 | H7 | 0.6° | 0.1° |
| C4 | C6 | N10 | C9 | 179.5° | 180.0° |
| C4 | C6 | N10 | HN10 | 0.5° | 0.1° |
| N10 | C6 | C7 | C8 | 0.3° | 0.1° |
| N10 | C6 | C7 | H7 | 179.7° | 180.0° |
| C6 | N10 | C9 | C8 | 0.1° | 0.1° |
| C6 | N10 | C9 | HN10 | 180.0° | 179.9° |
| C6 | N10 | C9 | H9 | 179.9° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.2° | 0.0° |
| C6 | C7 | C8 | C12 | 179.6° | 180.0° |
| C7 | C6 | N10 | C9 | 0.3° | 0.1° |
| C7 | C6 | N10 | HN10 | 179.7° | 180.0° |
| C7 | C8 | C9 | C12 | 179.4° | 180.0° |
| C7 | C8 | C9 | N10 | 0.0° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 179.9° |
| C7 | C8 | C12 | N13 | 146.3° | 30.1° |
| C7 | C8 | C12 | C17 | 32.9° | 150.0° |
| H7 | C7 | C8 | C9 | 179.8° | 180.0° |
| H7 | C7 | C8 | C12 | 0.4° | 0.1° |
| C8 | C9 | N10 | H9 | 180.0° | 179.9° |
| C8 | C9 | N10 | HN10 | 179.8° | 180.0° |
| C9 | C8 | C12 | N13 | 33.0° | 149.9° |
| C9 | C8 | C12 | C17 | 147.7° | 30.0° |
| C12 | C8 | C9 | N10 | 179.5° | 180.0° |
| C12 | C8 | C9 | H9 | 0.5° | 0.1° |
| C8 | C12 | N13 | C17 | 179.4° | 180.0° |
| C8 | C12 | N13 | N14 | 179.6° | 179.9° |
| C8 | C12 | C17 | C16 | 179.6° | 179.9° |
| C8 | C12 | C17 | C18 | 0.2° | 0.1° |
| H9 | C9 | N10 | HN10 | 0.2° | 0.1° |
| C12 | N13 | N14 | C16 | 0.1° | 0.0° |
| C12 | N13 | N14 | HN14 | 179.9° | 179.9° |
| N13 | C12 | C17 | C16 | 0.3° | 0.0° |
| N13 | C12 | C17 | C18 | 179.6° | 179.9° |
| C17 | C12 | N13 | N14 | 0.2° | 0.0° |
| C12 | C17 | C16 | N14 | 0.2° | 0.0° |
| C12 | C17 | C16 | C18 | 179.8° | 179.9° |
| C12 | C17 | C16 | H16 | 179.8° | 180.0° |
| C12 | C17 | C18 | C19 | 49.7° | 90.1° |
| C12 | C17 | C18 | C23 | 130.8° | 90.0° |
| N13 | N14 | C16 | HN14 | 180.0° | 179.9° |
| N13 | N14 | C16 | C17 | 0.1° | 0.0° |
| N13 | N14 | C16 | H16 | 179.9° | 180.0° |
| N14 | C16 | C17 | H16 | 180.0° | 180.0° |
| N14 | C16 | C17 | C18 | 179.6° | 179.9° |
| HN14 | N14 | C16 | C17 | 180.0° | 179.9° |
| HN14 | N14 | C16 | H16 | 0.0° | 0.1° |
| C16 | C17 | C18 | C19 | 130.5° | 90.0° |
| C16 | C17 | C18 | C23 | 49.0° | 90.0° |
| H16 | C16 | C17 | C18 | 0.3° | 0.1° |
| C17 | C18 | C19 | C23 | 179.5° | 179.9° |
| C17 | C18 | C19 | C20 | 179.8° | 179.9° |
| C17 | C18 | C19 | H19 | 0.1° | 0.1° |
| C17 | C18 | C23 | C22 | 179.7° | 179.9° |
| C17 | C18 | C23 | H23 | 0.3° | 0.2° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.5° | 0.0° |
| C18 | C19 | C20 | H20 | 179.6° | 180.0° |
| C19 | C18 | C23 | C22 | 0.3° | 0.0° |
| C19 | C18 | C23 | H23 | 179.7° | 179.9° |
| C23 | C18 | C19 | C20 | 0.4° | 0.0° |
| C23 | C18 | C19 | H19 | 179.6° | 180.0° |
| C18 | C23 | C22 | C21 | 0.2° | 0.0° |
| C18 | C23 | C22 | H23 | 180.0° | 179.9° |
| C18 | C23 | C22 | H22 | 179.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C19 | C20 | C21 | H21 | 179.6° | 179.9° |
| H19 | C19 | C20 | C21 | 179.5° | 180.0° |
| H19 | C19 | C20 | H20 | 0.5° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.3° | 0.0° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| H20 | C20 | C21 | C22 | 179.6° | 180.0° |
| H20 | C20 | C21 | H21 | 0.4° | 0.1° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | H23 | 179.8° | 179.9° |
| H21 | C21 | C22 | C23 | 179.7° | 179.9° |
| H21 | C21 | C22 | H22 | 0.3° | 0.0° |
| H22 | C22 | C23 | H23 | 0.2° | 0.0° |
