19L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.37Å | 1.41Å | Aromatic |
| C19 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.41Å | 1.47Å | Aromatic |
| C14 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | C12 | sing | 1.47Å | 1.48Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.44Å | |
| N7 | C13 | sing | 1.37Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.34Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| O3 | C9 | doub | 1.21Å | 1.26Å | |
| C9 | C7 | sing | 1.51Å | 1.54Å | |
| C9 | N6 | sing | 1.35Å | 1.33Å | |
| C7 | N5 | sing | 1.47Å | 1.42Å | |
| N6 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C20 | sing | 1.51Å | 1.51Å | |
| N5 | C6 | sing | 1.35Å | 1.38Å | |
| C5 | N4 | doub | 1.32Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.43Å | Aromatic |
| N4 | C2 | sing | 1.32Å | 1.43Å | Aromatic |
| C20 | O4 | doub | 1.21Å | 1.34Å | |
| C20 | O5 | sing | 1.34Å | 1.26Å | |
| O | C1 | doub | 1.22Å | 1.26Å | |
| C6 | C4 | sing | 1.48Å | 1.49Å | |
| C6 | O1 | doub | 1.22Å | 1.20Å | |
| C4 | N3 | doub | 1.33Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.48Å | 1.41Å | |
| C2 | C3 | doub | 1.41Å | 1.44Å | Aromatic |
| C1 | N1 | sing | 1.34Å | 1.34Å | |
| N3 | C3 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | N2 | sing | 1.38Å | 1.33Å | |
| N1 | C | doub | 1.32Å | 1.37Å | |
| N2 | C | sing | 1.36Å | 1.32Å | |
| C | N | sing | 1.37Å | 1.37Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| O5 | H3 | sing | 0.97Å | 0.95Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| N7 | H11 | sing | 0.97Å | 1.00Å | |
| C13 | H12 | sing | 1.08Å | 1.08Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| N5 | H18 | sing | 0.97Å | 1.00Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| N2 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 124.5° | 120.7° |
| C18 | C17 | C16 | 120.2° | 120.6° |
| C18 | C17 | H8 | 119.9° | 119.7° |
| C17 | C18 | H9 | 117.8° | 119.7° |
| C18 | C19 | C14 | 117.3° | 119.8° |
| C19 | C18 | H9 | 117.8° | 119.7° |
| C18 | C19 | H10 | 121.4° | 120.1° |
| C17 | C16 | C15 | 115.5° | 119.7° |
| C17 | C16 | H7 | 122.2° | 120.2° |
| C16 | C17 | H8 | 119.9° | 119.7° |
| C19 | C14 | C15 | 118.3° | 119.3° |
| C19 | C14 | N7 | 132.0° | 133.6° |
| C14 | C19 | H10 | 121.4° | 120.1° |
| C16 | C15 | C14 | 123.9° | 119.9° |
| C16 | C15 | C12 | 131.5° | 134.0° |
| C15 | C16 | H7 | 122.2° | 120.1° |
| C15 | C14 | N7 | 109.7° | 107.1° |
| C14 | C15 | C12 | 104.4° | 106.1° |
| C14 | N7 | C13 | 107.3° | 109.9° |
| C14 | N7 | H11 | 126.4° | 125.0° |
| C15 | C12 | C13 | 105.0° | 107.0° |
| C15 | C12 | C11 | 127.6° | 126.5° |
| O2 | C8 | C7 | 107.8° | 109.5° |
| O2 | C8 | H15 | 109.9° | 109.5° |
| O2 | C8 | H16 | 109.9° | 109.4° |
| C8 | O2 | H17 | 109.5° | 114.0° |
| N7 | C13 | C12 | 113.6° | 109.9° |
| C13 | N7 | H11 | 126.4° | 125.1° |
| N7 | C13 | H12 | 123.2° | 125.1° |
| C13 | C12 | C11 | 127.3° | 126.5° |
| C12 | C13 | H12 | 123.2° | 125.0° |
| C12 | C11 | C10 | 113.8° | 109.5° |
| C12 | C11 | H5 | 108.4° | 109.4° |
| C12 | C11 | H6 | 108.4° | 109.4° |
| C8 | C7 | C9 | 110.8° | 109.5° |
| C8 | C7 | N5 | 108.9° | 109.5° |
| C8 | C7 | H14 | 107.7° | 109.5° |
| C7 | C8 | H15 | 109.9° | 109.5° |
| C7 | C8 | H16 | 109.9° | 109.5° |
| C11 | C10 | N6 | 117.3° | 109.5° |
| C11 | C10 | C20 | 112.3° | 109.4° |
| C11 | C10 | H4 | 107.1° | 109.5° |
| C10 | C11 | H5 | 108.4° | 109.5° |
| C10 | C11 | H6 | 108.4° | 109.5° |
| O3 | C9 | C7 | 115.6° | 120.0° |
| O3 | C9 | N6 | 122.9° | 120.0° |
| C7 | C9 | N6 | 121.3° | 120.0° |
| C9 | C7 | N5 | 112.1° | 109.4° |
| C9 | C7 | H14 | 107.9° | 109.5° |
| C9 | N6 | C10 | 118.3° | 120.0° |
| C9 | N6 | H13 | 120.9° | 120.0° |
| C7 | N5 | C6 | 123.2° | 120.0° |
| N5 | C7 | H14 | 109.4° | 109.5° |
| C7 | N5 | H18 | 118.4° | 120.0° |
| N6 | C10 | C20 | 103.9° | 109.5° |
| N6 | C10 | H4 | 108.2° | 109.5° |
| C10 | N6 | H13 | 120.8° | 120.0° |
| C10 | C20 | O4 | 116.3° | 120.0° |
| C10 | C20 | O5 | 125.2° | 120.0° |
| C20 | C10 | H4 | 107.6° | 109.4° |
| N5 | C6 | C4 | 116.7° | 120.0° |
| N5 | C6 | O1 | 121.8° | 120.0° |
| C6 | N5 | H18 | 118.4° | 120.0° |
| N4 | C5 | C4 | 116.9° | 120.3° |
| C5 | N4 | C2 | 123.9° | 119.7° |
| N4 | C5 | H19 | 121.5° | 119.8° |
| C5 | C4 | C6 | 119.3° | 119.9° |
| C5 | C4 | N3 | 122.4° | 120.3° |
| C4 | C5 | H19 | 121.6° | 119.8° |
| N4 | C2 | C1 | 127.5° | 121.8° |
| N4 | C2 | C3 | 114.9° | 120.3° |
| O4 | C20 | O5 | 118.5° | 120.0° |
| C20 | O5 | H3 | 109.5° | 117.0° |
| O | C1 | C2 | 117.2° | 120.8° |
| O | C1 | N1 | 120.2° | 120.7° |
| C4 | C6 | O1 | 120.8° | 120.0° |
| C6 | C4 | N3 | 118.4° | 119.8° |
| C4 | N3 | C3 | 119.0° | 119.6° |
| C1 | C2 | C3 | 117.6° | 117.9° |
| C2 | C1 | N1 | 122.6° | 118.4° |
| C2 | C3 | N3 | 122.4° | 119.8° |
| C2 | C3 | N2 | 118.1° | 118.5° |
| C1 | N1 | C | 115.0° | 121.7° |
| N3 | C3 | N2 | 119.4° | 121.7° |
| C3 | N2 | C | 120.1° | 120.5° |
| C3 | N2 | H20 | 119.9° | 119.7° |
| N1 | C | N2 | 126.3° | 123.0° |
| N1 | C | N | 115.4° | 118.5° |
| N2 | C | N | 118.1° | 118.5° |
| C | N2 | H20 | 120.0° | 119.8° |
| C | N | H1 | 120.0° | 120.0° |
| C | N | H2 | 120.0° | 120.0° |
| H1 | N | H2 | 120.0° | 120.0° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H15 | C8 | H16 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H9 | 180.0° | 180.0° |
| C18 | C17 | C16 | H8 | 180.0° | 180.0° |
| C17 | C18 | C19 | C14 | 5.0° | 0.0° |
| C18 | C17 | C16 | C15 | 4.1° | 0.0° |
| C18 | C17 | C16 | H7 | 175.9° | 180.0° |
| C17 | C18 | C19 | H10 | 175.0° | 180.0° |
| C19 | C18 | C17 | C16 | 1.3° | 0.0° |
| C18 | C19 | C14 | H10 | 180.0° | 180.0° |
| C18 | C19 | C14 | C15 | 3.0° | 0.0° |
| C18 | C19 | C14 | N7 | 179.5° | 179.6° |
| C19 | C18 | C17 | H8 | 178.7° | 180.0° |
| C17 | C16 | C15 | H7 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 6.0° | 0.1° |
| C17 | C16 | C15 | C12 | 179.6° | 180.0° |
| C16 | C17 | C18 | H9 | 178.7° | 180.0° |
| C19 | C14 | C15 | C16 | 2.5° | 0.1° |
| C19 | C14 | C15 | N7 | 178.0° | 179.7° |
| C19 | C14 | C15 | C12 | 177.6° | 180.0° |
| C19 | C14 | N7 | C13 | 177.1° | 179.9° |
| C14 | C19 | C18 | H9 | 175.1° | 180.0° |
| C19 | C14 | N7 | H11 | 2.9° | 0.4° |
| C16 | C15 | C14 | C12 | 175.1° | 180.0° |
| C16 | C15 | C14 | N7 | 175.5° | 179.8° |
| C16 | C15 | C12 | C13 | 174.7° | 180.0° |
| C16 | C15 | C12 | C11 | 1.9° | 0.3° |
| C15 | C16 | C17 | H8 | 175.9° | 180.0° |
| C15 | C14 | N7 | C13 | 0.5° | 0.5° |
| C14 | C15 | C12 | C13 | 0.2° | 0.0° |
| C14 | C15 | C12 | C11 | 176.4° | 179.7° |
| C14 | C15 | C16 | H7 | 174.0° | 180.0° |
| C15 | C14 | C19 | H10 | 177.0° | 179.9° |
| C15 | C14 | N7 | H11 | 179.5° | 180.0° |
| N7 | C14 | C15 | C12 | 0.5° | 0.3° |
| C14 | N7 | C13 | H11 | 180.0° | 179.5° |
| C14 | N7 | C13 | C12 | 0.4° | 0.5° |
| N7 | C14 | C19 | H10 | 0.5° | 0.3° |
| C14 | N7 | C13 | H12 | 179.6° | 179.6° |
| C15 | C12 | C13 | N7 | 0.1° | 0.3° |
| C15 | C12 | C13 | C11 | 176.6° | 179.7° |
| C15 | C12 | C11 | C10 | 100.4° | 84.7° |
| C15 | C12 | C11 | H5 | 20.2° | 35.4° |
| C15 | C12 | C11 | H6 | 139.0° | 155.3° |
| C12 | C15 | C16 | H7 | 0.4° | 0.0° |
| C15 | C12 | C13 | H12 | 179.9° | 179.8° |
| O2 | C8 | C7 | H15 | 119.8° | 120.1° |
| O2 | C8 | C7 | H16 | 119.8° | 120.0° |
| O2 | C8 | C7 | C9 | 53.4° | 55.0° |
| O2 | C8 | C7 | N5 | 70.3° | 65.0° |
| O2 | C8 | C7 | H14 | 171.1° | 175.0° |
| O2 | C8 | H15 | H16 | 120.7° | 119.9° |
| N7 | C13 | C12 | H12 | 180.0° | 179.9° |
| N7 | C13 | C12 | C11 | 176.8° | 180.0° |
| C13 | C12 | C11 | C10 | 75.5° | 94.9° |
| C13 | C12 | C11 | H5 | 163.9° | 145.0° |
| C13 | C12 | C11 | H6 | 45.1° | 25.1° |
| C12 | C13 | N7 | H11 | 179.6° | 180.0° |
| C12 | C11 | C10 | H5 | 120.6° | 120.0° |
| C12 | C11 | C10 | H6 | 120.6° | 119.9° |
| C12 | C11 | C10 | N6 | 61.7° | 65.0° |
| C12 | C11 | C10 | C20 | 58.5° | 175.0° |
| C12 | C11 | C10 | H4 | 176.5° | 55.0° |
| C12 | C11 | H5 | H6 | 118.0° | 119.9° |
| C11 | C12 | C13 | H12 | 3.2° | 0.1° |
| C8 | C7 | C9 | O3 | 66.0° | 120.0° |
| C8 | C7 | C9 | N5 | 121.8° | 120.0° |
| C8 | C7 | C9 | H14 | 117.7° | 120.0° |
| C8 | C7 | C9 | N6 | 120.1° | 60.0° |
| C8 | C7 | N5 | H14 | 117.5° | 120.0° |
| C8 | C7 | N5 | C6 | 158.4° | 85.0° |
| C7 | C8 | H15 | H16 | 120.7° | 120.0° |
| C7 | C8 | O2 | H17 | 180.0° | 180.0° |
| C8 | C7 | N5 | H18 | 21.6° | 94.9° |
| C11 | C10 | N6 | C9 | 90.0° | 155.0° |
| C11 | C10 | N6 | C20 | 124.6° | 120.0° |
| C11 | C10 | N6 | H4 | 121.2° | 120.1° |
| C11 | C10 | C20 | H4 | 117.7° | 120.0° |
| C11 | C10 | C20 | O4 | 64.3° | 120.0° |
| C11 | C10 | C20 | O5 | 113.9° | 60.0° |
| C10 | C11 | H5 | H6 | 118.0° | 120.1° |
| C11 | C10 | N6 | H13 | 90.0° | 25.0° |
| O3 | C9 | C7 | N6 | 173.9° | 180.0° |
| O3 | C9 | C7 | N5 | 172.1° | 0.0° |
| O3 | C9 | N6 | C10 | 2.1° | 0.0° |
| O3 | C9 | N6 | H13 | 177.9° | 179.9° |
| O3 | C9 | C7 | H14 | 51.6° | 120.0° |
| C9 | C7 | N5 | H14 | 119.6° | 120.0° |
| C7 | C9 | N6 | C10 | 175.6° | 180.0° |
| C9 | C7 | N5 | C6 | 78.7° | 155.0° |
| C7 | C9 | N6 | H13 | 4.4° | 0.0° |
| C9 | C7 | C8 | H15 | 173.2° | 65.1° |
| C9 | C7 | C8 | H16 | 66.4° | 175.0° |
| C9 | C7 | N5 | H18 | 101.3° | 25.0° |
| N6 | C9 | C7 | N5 | 1.8° | 180.0° |
| C9 | N6 | C10 | H13 | 180.0° | 180.0° |
| C9 | N6 | C10 | C20 | 145.4° | 85.0° |
| C9 | N6 | C10 | H4 | 31.2° | 35.0° |
| N6 | C9 | C7 | H14 | 122.3° | 60.0° |
| C7 | N5 | C6 | H18 | 180.0° | 180.0° |
| C7 | N5 | C6 | C4 | 175.9° | 180.0° |
| C7 | N5 | C6 | O1 | 6.2° | 0.0° |
| N5 | C7 | C8 | H15 | 49.5° | 175.0° |
| N5 | C7 | C8 | H16 | 169.9° | 55.1° |
| N6 | C10 | C20 | H4 | 114.6° | 120.0° |
| N6 | C10 | C20 | O4 | 167.9° | 0.0° |
| N6 | C10 | C20 | O5 | 13.8° | 180.0° |
| N6 | C10 | C11 | H5 | 58.9° | 54.9° |
| N6 | C10 | C11 | H6 | 177.6° | 175.0° |
| C10 | C20 | O4 | O5 | 178.4° | 180.0° |
| C10 | C20 | O5 | H3 | 178.3° | 180.0° |
| C20 | C10 | C11 | H5 | 179.1° | 65.0° |
| C20 | C10 | C11 | H6 | 62.1° | 55.0° |
| C20 | C10 | N6 | H13 | 34.6° | 95.0° |
| N5 | C6 | C4 | C5 | 26.1° | 179.8° |
| N5 | C6 | C4 | O1 | 169.8° | 180.0° |
| N5 | C6 | C4 | N3 | 153.5° | 0.0° |
| C6 | N5 | C7 | H14 | 40.9° | 35.0° |
| N4 | C5 | C4 | H19 | 180.0° | 179.9° |
| N4 | C5 | C4 | C6 | 172.7° | 179.9° |
| N4 | C5 | C4 | N3 | 6.9° | 0.2° |
| C5 | N4 | C2 | C1 | 175.6° | 180.0° |
| C5 | N4 | C2 | C3 | 4.0° | 0.3° |
| C4 | C5 | N4 | C2 | 2.2° | 0.1° |
| C5 | C4 | C6 | N3 | 179.6° | 179.7° |
| C5 | C4 | C6 | O1 | 164.1° | 0.3° |
| C5 | C4 | N3 | C3 | 4.6° | 0.2° |
| N4 | C2 | C1 | O | 2.8° | 0.0° |
| N4 | C2 | C1 | C3 | 179.6° | 179.7° |
| N4 | C2 | C1 | N1 | 179.3° | 180.0° |
| N4 | C2 | C3 | N3 | 6.5° | 0.3° |
| N4 | C2 | C3 | N2 | 176.2° | 179.7° |
| C2 | N4 | C5 | H19 | 177.8° | 180.0° |
| O4 | C20 | O5 | H3 | 0.0° | 0.1° |
| O4 | C20 | C10 | H4 | 53.3° | 120.0° |
| O5 | C20 | C10 | H4 | 128.4° | 60.0° |
| O | C1 | C2 | N1 | 176.5° | 180.0° |
| O | C1 | C2 | C3 | 177.5° | 179.7° |
| O | C1 | N1 | C | 176.9° | 179.9° |
| C6 | C4 | N3 | C3 | 175.0° | 179.9° |
| C4 | C6 | N5 | H18 | 4.1° | 0.0° |
| C6 | C4 | C5 | H19 | 7.3° | 0.0° |
| O1 | C6 | C4 | N3 | 16.3° | 180.0° |
| O1 | C6 | N5 | H18 | 173.8° | 180.0° |
| C4 | N3 | C3 | C2 | 2.4° | 0.0° |
| C4 | N3 | C3 | N2 | 179.7° | 180.0° |
| N3 | C4 | C5 | H19 | 173.1° | 179.7° |
| C1 | C2 | C3 | N3 | 173.2° | 180.0° |
| C1 | C2 | C3 | N2 | 4.1° | 0.0° |
| C2 | C1 | N1 | C | 0.5° | 0.1° |
| C3 | C2 | C1 | N1 | 1.1° | 0.3° |
| C2 | C3 | N3 | N2 | 177.3° | 180.0° |
| C2 | C3 | N2 | C | 6.7° | 0.5° |
| C2 | C3 | N2 | H20 | 173.3° | 180.0° |
| C1 | N1 | C | N2 | 3.3° | 0.5° |
| C1 | N1 | C | N | 179.1° | 180.0° |
| N3 | C3 | N2 | C | 170.7° | 179.5° |
| N3 | C3 | N2 | H20 | 9.3° | 0.0° |
| C3 | N2 | C | N1 | 6.7° | 0.8° |
| C3 | N2 | C | H20 | 180.0° | 179.5° |
| C3 | N2 | C | N | 177.6° | 179.7° |
| N1 | C | N2 | N | 175.7° | 179.5° |
| N1 | C | N | H1 | 0.0° | 0.0° |
| N1 | C | N | H2 | 180.0° | 179.8° |
| N1 | C | N2 | H20 | 173.3° | 179.7° |
| N2 | C | N | H1 | 176.1° | 179.6° |
| N2 | C | N | H2 | 3.9° | 0.3° |
| C | N | H1 | H2 | 180.0° | 179.8° |
| N | C | N2 | H20 | 2.3° | 0.2° |
| H4 | C10 | C11 | H5 | 62.9° | 175.0° |
| H4 | C10 | C11 | H6 | 55.9° | 64.9° |
| H4 | C10 | N6 | H13 | 148.8° | 145.1° |
| H7 | C16 | C17 | H8 | 4.2° | 0.0° |
| H8 | C17 | C18 | H9 | 1.3° | 0.0° |
| H9 | C18 | C19 | H10 | 4.9° | 0.0° |
| H11 | N7 | C13 | H12 | 0.4° | 0.1° |
| H14 | C7 | C8 | H15 | 69.1° | 55.0° |
| H14 | C7 | C8 | H16 | 51.4° | 64.9° |
| H14 | C7 | N5 | H18 | 139.1° | 145.0° |
| H15 | C8 | O2 | H17 | 60.2° | 59.9° |
| H16 | C8 | O2 | H17 | 60.2° | 60.0° |
