C19
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.37Å | Aromatic |
| C3 | C2 | doub | 1.41Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.42Å | 1.45Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| N5 | C4 | doub | 1.34Å | 1.39Å | Aromatic |
| N5 | C6 | sing | 1.32Å | 1.35Å | Aromatic |
| N15 | C6 | sing | 1.38Å | 1.33Å | |
| C9 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| C9 | C16 | sing | 1.48Å | 1.48Å | |
| C11 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| N15 | HN1A | sing | 0.97Å | 1.00Å | |
| C16 | C21 | doub | 1.39Å | 1.39Å | |
| C16 | C17 | sing | 1.42Å | 1.52Å | |
| O26 | C17 | doub | 1.22Å | 1.24Å | |
| C17 | N18 | sing | 1.35Å | 1.40Å | |
| C19 | N18 | sing | 1.36Å | 1.51Å | |
| N18 | C27 | sing | 1.40Å | 1.39Å | |
| C20 | C19 | doub | 1.35Å | 1.36Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | C20 | sing | 1.40Å | 1.49Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | C21 | sing | 1.51Å | 1.52Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C22 | H22B | sing | 1.09Å | 1.10Å | |
| C28 | C27 | doub | 1.39Å | 1.44Å | Aromatic |
| C27 | C32 | sing | 1.39Å | 1.43Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C36 | sing | 1.51Å | 1.52Å | |
| C30 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.40Å | 1.40Å | Aromatic |
| C31 | N38 | sing | 1.40Å | 1.34Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C41 | C36 | sing | 1.53Å | 1.53Å | |
| C36 | C45 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.54Å | 1.55Å | |
| N38 | C37 | sing | 1.46Å | 1.47Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C37 | H37A | sing | 1.09Å | 1.10Å | |
| N38 | HN38 | sing | 0.97Å | 1.00Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C45 | H45 | sing | 1.09Å | 1.10Å | |
| C45 | H45A | sing | 1.09Å | 1.10Å | |
| C45 | H45B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 118.4° | 121.5° |
| N1 | C6 | N5 | 125.7° | 122.7° |
| N1 | C6 | N15 | 117.6° | 118.7° |
| N1 | C2 | C3 | 119.4° | 118.5° |
| N1 | C2 | H2 | 120.3° | 120.7° |
| C3 | C2 | H2 | 120.3° | 120.8° |
| C2 | C3 | C4 | 119.6° | 118.4° |
| C2 | C3 | C8 | 120.2° | 121.9° |
| C4 | C3 | C8 | 120.1° | 119.7° |
| C3 | C4 | C11 | 119.2° | 119.6° |
| C3 | C4 | N5 | 117.9° | 118.7° |
| C3 | C8 | C9 | 119.8° | 119.3° |
| C3 | C8 | H8 | 120.1° | 120.3° |
| C11 | C4 | N5 | 122.8° | 121.7° |
| C4 | C11 | C10 | 120.5° | 120.0° |
| C4 | C11 | H11 | 119.7° | 120.0° |
| C4 | N5 | C6 | 118.9° | 120.2° |
| N5 | C6 | N15 | 116.7° | 118.7° |
| C6 | N15 | HN15 | 109.5° | 120.0° |
| C6 | N15 | HN1A | 109.4° | 120.0° |
| C9 | C8 | H8 | 120.1° | 120.3° |
| C8 | C9 | C10 | 119.9° | 120.5° |
| C8 | C9 | C16 | 119.6° | 119.8° |
| C10 | C9 | C16 | 120.5° | 119.7° |
| C9 | C10 | C11 | 120.4° | 120.9° |
| C9 | C10 | H10 | 119.8° | 119.5° |
| C9 | C16 | C21 | 120.5° | 120.5° |
| C9 | C16 | C17 | 119.3° | 120.5° |
| C11 | C10 | H10 | 119.8° | 119.6° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| HN15 | N15 | HN1A | 109.5° | 120.0° |
| C21 | C16 | C17 | 120.1° | 119.0° |
| C16 | C21 | C20 | 120.4° | 119.0° |
| C16 | C21 | C22 | 126.8° | 120.5° |
| C16 | C17 | O26 | 118.4° | 120.1° |
| C16 | C17 | N18 | 118.2° | 119.8° |
| O26 | C17 | N18 | 123.4° | 120.1° |
| C17 | N18 | C19 | 120.5° | 120.9° |
| C17 | N18 | C27 | 119.9° | 119.5° |
| C19 | N18 | C27 | 119.6° | 119.5° |
| N18 | C19 | C20 | 120.1° | 121.1° |
| N18 | C19 | H19 | 119.9° | 119.4° |
| N18 | C27 | C28 | 122.4° | 120.0° |
| N18 | C27 | C32 | 118.3° | 119.9° |
| C20 | C19 | H19 | 120.0° | 119.5° |
| C19 | C20 | C21 | 120.7° | 120.1° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C21 | C20 | H20 | 119.6° | 119.9° |
| C20 | C21 | C22 | 112.9° | 120.5° |
| C21 | C22 | H22 | 109.5° | 109.5° |
| C21 | C22 | H22A | 109.4° | 109.4° |
| C21 | C22 | H22B | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.5° |
| H22 | C22 | H22B | 109.4° | 109.5° |
| H22A | C22 | H22B | 109.5° | 109.5° |
| C28 | C27 | C32 | 119.3° | 120.1° |
| C27 | C28 | C29 | 120.5° | 119.8° |
| C27 | C28 | H28 | 119.8° | 120.2° |
| C27 | C32 | C31 | 119.2° | 120.2° |
| C27 | C32 | H32 | 120.4° | 119.9° |
| C29 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | 118.6° | 120.2° |
| C28 | C29 | H29 | 120.7° | 119.9° |
| C30 | C29 | H29 | 120.7° | 119.9° |
| C29 | C30 | C36 | 129.3° | 130.9° |
| C29 | C30 | C31 | 120.1° | 120.6° |
| C36 | C30 | C31 | 110.6° | 108.5° |
| C30 | C36 | C41 | 109.9° | 110.4° |
| C30 | C36 | C45 | 111.9° | 110.5° |
| C30 | C36 | C37 | 101.2° | 104.5° |
| C30 | C31 | C32 | 122.3° | 119.1° |
| C30 | C31 | N38 | 109.8° | 111.6° |
| C32 | C31 | N38 | 127.9° | 129.2° |
| C31 | C32 | H32 | 120.4° | 119.9° |
| C31 | N38 | C37 | 111.8° | 110.1° |
| C31 | N38 | HN38 | 108.7° | 125.0° |
| C41 | C36 | C45 | 111.7° | 110.4° |
| C41 | C36 | C37 | 110.5° | 110.5° |
| C36 | C41 | H41 | 109.5° | 109.5° |
| C36 | C41 | H41A | 109.5° | 109.5° |
| C36 | C41 | H41B | 109.5° | 109.5° |
| C45 | C36 | C37 | 111.2° | 110.4° |
| C36 | C45 | H45 | 109.5° | 109.4° |
| C36 | C45 | H45A | 109.5° | 109.5° |
| C36 | C45 | H45B | 109.5° | 109.5° |
| C36 | C37 | N38 | 105.0° | 105.2° |
| C36 | C37 | H37 | 111.0° | 110.2° |
| C36 | C37 | H37A | 111.9° | 110.3° |
| N38 | C37 | H37 | 111.0° | 110.3° |
| N38 | C37 | H37A | 111.9° | 110.4° |
| C37 | N38 | HN38 | 108.7° | 124.9° |
| H37 | C37 | H37A | 106.1° | 110.3° |
| H41 | C41 | H41A | 109.4° | 109.4° |
| H41 | C41 | H41B | 109.5° | 109.4° |
| H41A | C41 | H41B | 109.5° | 109.5° |
| H45 | C45 | H45A | 109.4° | 109.5° |
| H45 | C45 | H45B | 109.5° | 109.4° |
| H45A | C45 | H45B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | C3 | 0.9° | 0.0° |
| C6 | N1 | C2 | H2 | 179.1° | 179.9° |
| N1 | C6 | N5 | C4 | 1.0° | 0.0° |
| N1 | C6 | N5 | N15 | 179.2° | 180.0° |
| N1 | C6 | N15 | HN15 | 177.6° | 180.0° |
| N1 | C6 | N15 | HN1A | 57.6° | 0.0° |
| N1 | C2 | C3 | H2 | 180.0° | 179.9° |
| N1 | C2 | C3 | C4 | 1.1° | 0.1° |
| N1 | C2 | C3 | C8 | 179.7° | 180.0° |
| C2 | N1 | C6 | N5 | 0.9° | 0.0° |
| C2 | N1 | C6 | N15 | 179.9° | 180.0° |
| C2 | C3 | C4 | C8 | 178.7° | 179.9° |
| C2 | C3 | C4 | C11 | 179.8° | 180.0° |
| C2 | C3 | C4 | N5 | 1.1° | 0.1° |
| C2 | C3 | C8 | C9 | 179.8° | 180.0° |
| C2 | C3 | C8 | H8 | 0.2° | 0.2° |
| H2 | C2 | C3 | C4 | 179.0° | 180.0° |
| H2 | C2 | C3 | C8 | 0.3° | 0.1° |
| C3 | C4 | C11 | N5 | 178.6° | 179.9° |
| C3 | C4 | N5 | C6 | 1.1° | 0.1° |
| C4 | C3 | C8 | C9 | 1.2° | 0.1° |
| C4 | C3 | C8 | H8 | 178.8° | 179.9° |
| C3 | C4 | C11 | C10 | 1.3° | 0.1° |
| C3 | C4 | C11 | H11 | 178.7° | 180.0° |
| C8 | C3 | C4 | C11 | 1.6° | 0.1° |
| C8 | C3 | C4 | N5 | 179.8° | 180.0° |
| C3 | C8 | C9 | H8 | 180.0° | 179.9° |
| C3 | C8 | C9 | C10 | 0.5° | 0.1° |
| C3 | C8 | C9 | C16 | 180.0° | 180.0° |
| C11 | C4 | N5 | C6 | 179.7° | 180.0° |
| C4 | C11 | C10 | C9 | 0.7° | 0.1° |
| C4 | C11 | C10 | H11 | 180.0° | 179.8° |
| C4 | C11 | C10 | H10 | 179.3° | 179.9° |
| C4 | N5 | C6 | N15 | 179.8° | 180.0° |
| N5 | C4 | C11 | C10 | 179.9° | 180.0° |
| N5 | C4 | C11 | H11 | 0.1° | 0.1° |
| N5 | C6 | N15 | HN15 | 3.2° | 0.0° |
| N5 | C6 | N15 | HN1A | 123.2° | 180.0° |
| C6 | N15 | HN15 | HN1A | 120.0° | 180.0° |
| C8 | C9 | C10 | C16 | 179.5° | 179.9° |
| C8 | C9 | C10 | C11 | 0.3° | 0.1° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| C8 | C9 | C16 | C21 | 83.3° | 114.9° |
| C8 | C9 | C16 | C17 | 95.9° | 64.8° |
| H8 | C8 | C9 | C10 | 179.5° | 180.0° |
| H8 | C8 | C9 | C16 | 0.0° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | H11 | 179.3° | 180.0° |
| C10 | C9 | C16 | C21 | 96.2° | 65.0° |
| C10 | C9 | C16 | C17 | 84.6° | 115.3° |
| C16 | C9 | C10 | C11 | 179.8° | 179.9° |
| C16 | C9 | C10 | H10 | 0.3° | 0.0° |
| C9 | C16 | C21 | C17 | 179.2° | 179.7° |
| C9 | C16 | C17 | O26 | 0.6° | 0.0° |
| C9 | C16 | C17 | N18 | 179.0° | 180.0° |
| C9 | C16 | C21 | C20 | 179.6° | 179.7° |
| C9 | C16 | C21 | C22 | 1.1° | 0.0° |
| H10 | C10 | C11 | H11 | 0.7° | 0.1° |
| C21 | C16 | C17 | O26 | 179.8° | 179.7° |
| C21 | C16 | C17 | N18 | 0.2° | 0.3° |
| C16 | C21 | C20 | C19 | 0.8° | 0.6° |
| C16 | C21 | C20 | C22 | 178.7° | 179.7° |
| C16 | C21 | C20 | H20 | 179.2° | 179.7° |
| C16 | C21 | C22 | H22 | 87.1° | 90.0° |
| C16 | C21 | C22 | H22A | 152.9° | 150.0° |
| C16 | C21 | C22 | H22B | 32.9° | 30.1° |
| C16 | C17 | O26 | N18 | 179.6° | 180.0° |
| C16 | C17 | N18 | C19 | 0.4° | 0.1° |
| C16 | C17 | N18 | C27 | 178.6° | 180.0° |
| C17 | C16 | C21 | C20 | 0.4° | 0.6° |
| C17 | C16 | C21 | C22 | 178.1° | 179.8° |
| O26 | C17 | N18 | C19 | 179.9° | 180.0° |
| O26 | C17 | N18 | C27 | 1.1° | 0.1° |
| C17 | N18 | C19 | C27 | 179.0° | 179.9° |
| C17 | N18 | C19 | C20 | 0.1° | 0.1° |
| C17 | N18 | C19 | H19 | 180.0° | 180.0° |
| C17 | N18 | C27 | C28 | 121.4° | 90.1° |
| C17 | N18 | C27 | C32 | 59.0° | 90.1° |
| N18 | C19 | C20 | H19 | 180.0° | 180.0° |
| N18 | C19 | C20 | C21 | 0.6° | 0.2° |
| N18 | C19 | C20 | H20 | 179.4° | 179.9° |
| C19 | N18 | C27 | C28 | 59.6° | 90.0° |
| C19 | N18 | C27 | C32 | 120.0° | 89.8° |
| C27 | N18 | C19 | C20 | 178.9° | 180.0° |
| C27 | N18 | C19 | H19 | 1.0° | 0.1° |
| N18 | C27 | C28 | C32 | 179.5° | 179.8° |
| N18 | C27 | C28 | C29 | 179.5° | 180.0° |
| N18 | C27 | C28 | H28 | 0.4° | 0.0° |
| N18 | C27 | C32 | C31 | 179.9° | 179.7° |
| N18 | C27 | C32 | H32 | 0.1° | 0.1° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | C22 | 177.9° | 179.8° |
| H19 | C19 | C20 | C21 | 179.4° | 179.7° |
| H19 | C19 | C20 | H20 | 0.6° | 0.0° |
| C20 | C21 | C22 | H22 | 94.3° | 89.7° |
| C20 | C21 | C22 | H22A | 25.7° | 30.3° |
| C20 | C21 | C22 | H22B | 145.7° | 150.2° |
| H20 | C20 | C21 | C22 | 2.1° | 0.0° |
| C21 | C22 | H22 | H22A | 120.0° | 119.9° |
| C21 | C22 | H22 | H22B | 120.0° | 120.0° |
| C21 | C22 | H22A | H22B | 120.0° | 120.0° |
| H22 | C22 | H22A | H22B | 120.0° | 120.1° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | H29 | 179.8° | 179.9° |
| C28 | C27 | C32 | C31 | 0.3° | 0.5° |
| C28 | C27 | C32 | H32 | 179.7° | 179.7° |
| C32 | C27 | C28 | C29 | 0.0° | 0.2° |
| C32 | C27 | C28 | H28 | 180.0° | 179.8° |
| C27 | C32 | C31 | C30 | 0.4° | 0.6° |
| C27 | C32 | C31 | H32 | 180.0° | 179.8° |
| C27 | C32 | C31 | N38 | 179.7° | 179.8° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C36 | 179.7° | 179.9° |
| C28 | C29 | C30 | C31 | 0.1° | 0.1° |
| H28 | C28 | C29 | C30 | 179.8° | 180.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.1° |
| C29 | C30 | C36 | C31 | 179.9° | 179.9° |
| C29 | C30 | C31 | C32 | 0.2° | 0.3° |
| C29 | C30 | C31 | N38 | 179.9° | 180.0° |
| C29 | C30 | C36 | C41 | 70.3° | 61.2° |
| C29 | C30 | C36 | C45 | 54.4° | 61.1° |
| C29 | C30 | C36 | C37 | 172.8° | 180.0° |
| H29 | C29 | C30 | C36 | 0.3° | 0.2° |
| H29 | C29 | C30 | C31 | 179.9° | 180.0° |
| C36 | C30 | C31 | C32 | 180.0° | 179.8° |
| C36 | C30 | C31 | N38 | 0.0° | 0.1° |
| C30 | C36 | C41 | C45 | 124.8° | 122.4° |
| C30 | C36 | C41 | C37 | 110.8° | 115.1° |
| C30 | C36 | C45 | C37 | 112.3° | 115.2° |
| C30 | C36 | C37 | N38 | 11.3° | 0.0° |
| C30 | C36 | C37 | H37 | 108.6° | 119.0° |
| C30 | C36 | C37 | H37A | 133.0° | 119.0° |
| C30 | C36 | C41 | H41 | 128.7° | 60.0° |
| C30 | C36 | C41 | H41A | 111.3° | 179.9° |
| C30 | C36 | C41 | H41B | 8.7° | 60.0° |
| C30 | C36 | C45 | H45 | 98.2° | 59.9° |
| C30 | C36 | C45 | H45A | 21.8° | 180.0° |
| C30 | C36 | C45 | H45B | 141.8° | 60.0° |
| C30 | C31 | C32 | N38 | 179.9° | 179.6° |
| C30 | C31 | C32 | H32 | 179.6° | 179.7° |
| C31 | C30 | C36 | C41 | 109.5° | 118.9° |
| C31 | C30 | C36 | C45 | 125.8° | 118.7° |
| C31 | C30 | C36 | C37 | 7.3° | 0.1° |
| C30 | C31 | N38 | C37 | 8.2° | 0.0° |
| C30 | C31 | N38 | HN38 | 111.8° | 180.0° |
| C32 | C31 | N38 | C37 | 171.8° | 179.7° |
| C32 | C31 | N38 | HN38 | 68.2° | 0.4° |
| N38 | C31 | C32 | H32 | 0.4° | 0.1° |
| C31 | N38 | C37 | C36 | 12.7° | 0.0° |
| C31 | N38 | C37 | HN38 | 120.0° | 179.9° |
| C31 | N38 | C37 | H37 | 107.3° | 118.9° |
| C31 | N38 | C37 | H37A | 134.4° | 119.0° |
| C41 | C36 | C45 | C37 | 124.0° | 122.5° |
| C41 | C36 | C37 | N38 | 105.1° | 118.8° |
| C41 | C36 | C37 | H37 | 134.9° | 122.2° |
| C41 | C36 | C37 | H37A | 16.6° | 0.3° |
| C36 | C41 | H41 | H41A | 120.0° | 120.0° |
| C36 | C41 | H41 | H41B | 120.0° | 120.1° |
| C36 | C41 | H41A | H41B | 120.0° | 120.1° |
| C41 | C36 | C45 | H45 | 138.1° | 62.4° |
| C41 | C36 | C45 | H45A | 101.9° | 57.6° |
| C41 | C36 | C45 | H45B | 18.1° | 177.7° |
| C45 | C36 | C37 | N38 | 130.3° | 118.8° |
| C45 | C36 | C37 | H37 | 10.3° | 0.2° |
| C45 | C36 | C37 | H37A | 108.0° | 122.2° |
| C45 | C36 | C41 | H41 | 106.5° | 177.6° |
| C45 | C36 | C41 | H41A | 13.5° | 57.7° |
| C45 | C36 | C41 | H41B | 133.5° | 62.4° |
| C36 | C45 | H45 | H45A | 120.0° | 120.0° |
| C36 | C45 | H45 | H45B | 120.0° | 119.9° |
| C36 | C45 | H45A | H45B | 120.0° | 120.0° |
| C36 | C37 | N38 | H37 | 120.0° | 118.9° |
| C36 | C37 | N38 | H37A | 121.7° | 119.0° |
| C36 | C37 | H37 | H37A | 121.8° | 122.0° |
| C36 | C37 | N38 | HN38 | 107.3° | 179.9° |
| C37 | C36 | C41 | H41 | 17.8° | 55.1° |
| C37 | C36 | C41 | H41A | 137.8° | 64.8° |
| C37 | C36 | C41 | H41B | 102.2° | 175.1° |
| C37 | C36 | C45 | H45 | 14.1° | 175.1° |
| C37 | C36 | C45 | H45A | 134.1° | 64.9° |
| C37 | C36 | C45 | H45B | 105.9° | 55.2° |
| N38 | C37 | H37 | H37A | 121.8° | 122.2° |
| H37 | C37 | N38 | HN38 | 132.7° | 61.0° |
| H37A | C37 | N38 | HN38 | 14.4° | 61.1° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
| H45 | C45 | H45A | H45B | 120.0° | 120.0° |
