19S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C19 | sing | 1.53Å | 1.54Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C19 | N17 | sing | 1.47Å | 1.46Å | |
| C19 | C23 | sing | 1.51Å | 1.51Å | |
| N1 | C23 | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.47Å | 1.47Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| N17 | C16 | sing | 1.35Å | 1.34Å | |
| C23 | O25 | doub | 1.21Å | 1.23Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| O18 | C16 | doub | 1.22Å | 1.22Å | |
| C16 | C15 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.54Å | 1.54Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C15 | C11 | sing | 1.47Å | 1.47Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| N10 | C11 | doub | 1.33Å | 1.33Å | Aromatic |
| N10 | C8 | sing | 1.32Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | N13 | sing | 1.36Å | 1.36Å | Aromatic |
| C20 | C22 | sing | 1.53Å | 1.53Å | |
| C20 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N13 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | N7 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | N7 | sing | 1.32Å | 1.34Å | Aromatic |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N13 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| N17 | H14 | sing | 0.97Å | 1.00Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C19 | N17 | 105.5° | 109.5° |
| C24 | C19 | C23 | 107.6° | 109.5° |
| C24 | C19 | H15 | 110.6° | 109.5° |
| C19 | C24 | H21 | 109.5° | 109.5° |
| C19 | C24 | H22 | 109.5° | 109.5° |
| C19 | C24 | H23 | 109.5° | 109.5° |
| N1 | C2 | C3 | 106.7° | 108.8° |
| C2 | N1 | C23 | 121.3° | 120.6° |
| C2 | N1 | C6 | 116.0° | 118.8° |
| N1 | C2 | H1 | 110.2° | 109.6° |
| N1 | C2 | H2 | 110.1° | 109.6° |
| C2 | C3 | C4 | 109.4° | 109.3° |
| C3 | C2 | H1 | 110.2° | 109.6° |
| C3 | C2 | H2 | 110.2° | 109.6° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.5° |
| N17 | C19 | C23 | 110.0° | 109.4° |
| C19 | N17 | C16 | 125.5° | 120.0° |
| C19 | N17 | H14 | 117.3° | 120.0° |
| N17 | C19 | H15 | 111.8° | 109.4° |
| C19 | C23 | N1 | 119.6° | 119.9° |
| C19 | C23 | O25 | 118.1° | 120.0° |
| C23 | C19 | H15 | 111.1° | 109.5° |
| C23 | N1 | C6 | 122.7° | 120.6° |
| N1 | C23 | O25 | 122.3° | 120.0° |
| N1 | C6 | C5 | 109.4° | 108.5° |
| N1 | C6 | H9 | 109.5° | 109.6° |
| N1 | C6 | H10 | 109.5° | 109.6° |
| C3 | C4 | C5 | 113.0° | 109.5° |
| C4 | C3 | H3 | 109.5° | 109.5° |
| C4 | C3 | H4 | 109.5° | 109.5° |
| C3 | C4 | H5 | 108.6° | 109.4° |
| C3 | C4 | H6 | 108.6° | 109.4° |
| N17 | C16 | O18 | 121.2° | 120.0° |
| N17 | C16 | C15 | 115.6° | 120.0° |
| C16 | N17 | H14 | 117.3° | 120.0° |
| C20 | C21 | C22 | 59.9° | 60.0° |
| C21 | C20 | C22 | 60.1° | 60.0° |
| C21 | C20 | C8 | 116.6° | 117.5° |
| C21 | C20 | H16 | 115.8° | 117.5° |
| C20 | C21 | H17 | 120.0° | 117.5° |
| C20 | C21 | H18 | 120.0° | 117.5° |
| C21 | C22 | C20 | 60.0° | 60.0° |
| C22 | C21 | H17 | 120.0° | 117.5° |
| C22 | C21 | H18 | 120.0° | 117.6° |
| C21 | C22 | H19 | 120.0° | 117.4° |
| C21 | C22 | H20 | 120.0° | 117.5° |
| O18 | C16 | C15 | 123.2° | 120.0° |
| C16 | C15 | C11 | 124.3° | 126.7° |
| C16 | C15 | C14 | 129.2° | 126.8° |
| C6 | C5 | C4 | 112.2° | 109.3° |
| C6 | C5 | H7 | 108.8° | 109.6° |
| C6 | C5 | H8 | 108.8° | 109.5° |
| C5 | C6 | H9 | 109.5° | 109.7° |
| C5 | C6 | H10 | 109.5° | 109.7° |
| C5 | C4 | H5 | 108.6° | 109.5° |
| C5 | C4 | H6 | 108.6° | 109.5° |
| C4 | C5 | H7 | 108.8° | 109.5° |
| C4 | C5 | H8 | 108.8° | 109.5° |
| C11 | C15 | C14 | 106.4° | 106.5° |
| C15 | C11 | N10 | 133.0° | 134.1° |
| C15 | C11 | C12 | 106.2° | 105.8° |
| C15 | C14 | N13 | 110.3° | 109.8° |
| C15 | C14 | H13 | 124.9° | 125.2° |
| C11 | N10 | C8 | 119.6° | 119.6° |
| N10 | C11 | C12 | 120.8° | 120.2° |
| N10 | C8 | C20 | 120.4° | 119.8° |
| N10 | C8 | C9 | 120.1° | 120.3° |
| C11 | C12 | N13 | 107.3° | 107.5° |
| C11 | C12 | N7 | 118.9° | 119.3° |
| C14 | N13 | C12 | 109.8° | 110.5° |
| C14 | N13 | H12 | 125.1° | 124.7° |
| N13 | C14 | H13 | 124.8° | 125.0° |
| C22 | C20 | C8 | 120.5° | 117.5° |
| C22 | C20 | H16 | 115.8° | 117.5° |
| C20 | C22 | H19 | 120.0° | 117.5° |
| C20 | C22 | H20 | 120.0° | 117.6° |
| C20 | C8 | C9 | 119.6° | 119.9° |
| C8 | C20 | H16 | 116.2° | 115.6° |
| C8 | C9 | N7 | 121.0° | 120.6° |
| C8 | C9 | H11 | 119.5° | 119.7° |
| N13 | C12 | N7 | 133.8° | 133.2° |
| C12 | N13 | H12 | 125.1° | 124.8° |
| C12 | N7 | C9 | 119.7° | 119.9° |
| N7 | C9 | H11 | 119.5° | 119.7° |
| H1 | C2 | H2 | 109.5° | 109.7° |
| H3 | C3 | H4 | 109.5° | 109.5° |
| H5 | C4 | H6 | 109.5° | 109.5° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H9 | C6 | H10 | 109.5° | 109.7° |
| H17 | C21 | H18 | 109.5° | 115.5° |
| H19 | C22 | H20 | 109.4° | 115.6° |
| H21 | C24 | H22 | 109.5° | 109.4° |
| H21 | C24 | H23 | 109.4° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C19 | N17 | C23 | 115.8° | 120.0° |
| C24 | C19 | N17 | H15 | 120.3° | 120.0° |
| C24 | C19 | C23 | H15 | 121.2° | 120.1° |
| C24 | C19 | C23 | N1 | 89.6° | 83.0° |
| C24 | C19 | N17 | C16 | 120.2° | 85.0° |
| C24 | C19 | C23 | O25 | 89.1° | 97.1° |
| C24 | C19 | N17 | H14 | 59.8° | 94.9° |
| C19 | C24 | H21 | H22 | 120.0° | 120.0° |
| C19 | C24 | H21 | H23 | 120.0° | 120.0° |
| C19 | C24 | H22 | H23 | 120.0° | 120.0° |
| N1 | C2 | C3 | H1 | 119.6° | 119.8° |
| N1 | C2 | C3 | H2 | 119.5° | 119.8° |
| C2 | N1 | C23 | C19 | 1.1° | 175.1° |
| C2 | N1 | C23 | C6 | 179.9° | 179.6° |
| N1 | C2 | C3 | C4 | 59.7° | 54.6° |
| C2 | N1 | C23 | O25 | 179.7° | 4.8° |
| C2 | N1 | C6 | C5 | 57.8° | 53.9° |
| N1 | C2 | H1 | H2 | 121.3° | 120.4° |
| N1 | C2 | C3 | H3 | 179.6° | 65.3° |
| N1 | C2 | C3 | H4 | 60.3° | 174.6° |
| C2 | N1 | C6 | H9 | 177.8° | 65.9° |
| C2 | N1 | C6 | H10 | 62.2° | 173.7° |
| C3 | C2 | N1 | C23 | 115.3° | 126.5° |
| C3 | C2 | N1 | C6 | 64.6° | 53.9° |
| C2 | C3 | C4 | H3 | 120.0° | 119.9° |
| C2 | C3 | C4 | H4 | 120.0° | 119.9° |
| C2 | C3 | C4 | C5 | 54.8° | 61.3° |
| C3 | C2 | H1 | H2 | 121.3° | 120.3° |
| C2 | C3 | H3 | H4 | 120.0° | 120.1° |
| C2 | C3 | C4 | H5 | 65.7° | 178.6° |
| C2 | C3 | C4 | H6 | 175.3° | 58.7° |
| N17 | C19 | C23 | H15 | 124.4° | 120.0° |
| N17 | C19 | C23 | N1 | 156.0° | 157.1° |
| C19 | N17 | C16 | H14 | 180.0° | 179.9° |
| N17 | C19 | C23 | O25 | 25.3° | 22.9° |
| C19 | N17 | C16 | O18 | 0.5° | 0.1° |
| C19 | N17 | C16 | C15 | 177.7° | 180.0° |
| N17 | C19 | C24 | H21 | 180.0° | 62.5° |
| N17 | C19 | C24 | H22 | 60.0° | 177.6° |
| N17 | C19 | C24 | H23 | 60.0° | 57.5° |
| C19 | C23 | N1 | O25 | 178.6° | 179.9° |
| C19 | C23 | N1 | C6 | 179.0° | 5.2° |
| C23 | C19 | N17 | C16 | 124.1° | 155.0° |
| C23 | C19 | N17 | H14 | 55.9° | 25.0° |
| C23 | C19 | C24 | H21 | 62.6° | 177.6° |
| C23 | C19 | C24 | H22 | 57.4° | 57.6° |
| C23 | C19 | C24 | H23 | 177.4° | 62.4° |
| C23 | N1 | C6 | C5 | 122.1° | 126.4° |
| C23 | N1 | C2 | H1 | 125.1° | 6.7° |
| C23 | N1 | C2 | H2 | 4.2° | 113.8° |
| C23 | N1 | C6 | H9 | 2.1° | 113.8° |
| C23 | N1 | C6 | H10 | 117.9° | 6.7° |
| N1 | C23 | C19 | H15 | 31.7° | 37.1° |
| C6 | N1 | C23 | O25 | 0.4° | 174.8° |
| N1 | C6 | C5 | H9 | 120.0° | 119.7° |
| N1 | C6 | C5 | H10 | 120.0° | 119.7° |
| N1 | C6 | C5 | C4 | 46.7° | 54.9° |
| C6 | N1 | C2 | H1 | 55.0° | 173.6° |
| C6 | N1 | C2 | H2 | 175.8° | 65.9° |
| N1 | C6 | C5 | H7 | 73.7° | 65.2° |
| N1 | C6 | C5 | H8 | 167.1° | 174.8° |
| N1 | C6 | H9 | H10 | 120.0° | 120.4° |
| C3 | C4 | C5 | C6 | 48.2° | 61.5° |
| C3 | C4 | C5 | H5 | 120.5° | 120.0° |
| C3 | C4 | C5 | H6 | 120.5° | 120.0° |
| C4 | C3 | C2 | H1 | 59.9° | 174.4° |
| C4 | C3 | C2 | H2 | 179.2° | 65.2° |
| C4 | C3 | H3 | H4 | 120.1° | 120.1° |
| C3 | C4 | H5 | H6 | 118.4° | 119.9° |
| C3 | C4 | C5 | H7 | 72.2° | 58.6° |
| C3 | C4 | C5 | H8 | 168.5° | 178.6° |
| N17 | C16 | O18 | C15 | 178.0° | 179.9° |
| N17 | C16 | C15 | C11 | 9.0° | 180.0° |
| N17 | C16 | C15 | C14 | 167.5° | 0.1° |
| C16 | N17 | C19 | H15 | 0.1° | 35.1° |
| O25 | C23 | C19 | H15 | 149.7° | 142.8° |
| C20 | C21 | C22 | H17 | 109.5° | 107.5° |
| C20 | C21 | C22 | H18 | 109.5° | 107.5° |
| C21 | C20 | C8 | N10 | 36.7° | 146.4° |
| C21 | C20 | C22 | C8 | 105.1° | 107.4° |
| C21 | C20 | C22 | H16 | 106.2° | 107.5° |
| C21 | C20 | C8 | H16 | 142.0° | 145.6° |
| C21 | C20 | C8 | C9 | 142.3° | 33.7° |
| C20 | C21 | H17 | H18 | 144.8° | 145.7° |
| C20 | C21 | C22 | H19 | 109.5° | 107.5° |
| C20 | C21 | C22 | H20 | 109.4° | 107.5° |
| C22 | C21 | H17 | H18 | 144.7° | 145.7° |
| C21 | C22 | H19 | H20 | 144.8° | 145.7° |
| O18 | C16 | C15 | C11 | 172.8° | 0.1° |
| O18 | C16 | C15 | C14 | 10.6° | 180.0° |
| O18 | C16 | N17 | H14 | 179.5° | 180.0° |
| C16 | C15 | C11 | C14 | 177.2° | 179.9° |
| C16 | C15 | C11 | N10 | 2.2° | 0.1° |
| C16 | C15 | C11 | C12 | 177.9° | 180.0° |
| C16 | C15 | C14 | N13 | 178.3° | 180.0° |
| C16 | C15 | C14 | H13 | 1.7° | 0.1° |
| C15 | C16 | N17 | H14 | 2.3° | 0.1° |
| C6 | C5 | C4 | H7 | 120.4° | 120.1° |
| C6 | C5 | C4 | H8 | 120.4° | 119.9° |
| C6 | C5 | C4 | H5 | 72.4° | 178.5° |
| C6 | C5 | C4 | H6 | 168.7° | 58.5° |
| C6 | C5 | H7 | H8 | 118.7° | 120.1° |
| C5 | C6 | H9 | H10 | 120.0° | 120.6° |
| C5 | C4 | C3 | H3 | 174.8° | 58.6° |
| C5 | C4 | C3 | H4 | 65.2° | 178.7° |
| C5 | C4 | H5 | H6 | 118.4° | 120.1° |
| C4 | C5 | H7 | H8 | 118.8° | 120.0° |
| C4 | C5 | C6 | H9 | 166.7° | 64.8° |
| C4 | C5 | C6 | H10 | 73.3° | 174.6° |
| C15 | C11 | N10 | C12 | 179.9° | 179.9° |
| C15 | C11 | N10 | C8 | 179.8° | 180.0° |
| C11 | C15 | C14 | N13 | 1.3° | 0.0° |
| C15 | C11 | C12 | N13 | 0.0° | 0.0° |
| C15 | C11 | C12 | N7 | 179.8° | 180.0° |
| C11 | C15 | C14 | H13 | 178.7° | 180.0° |
| C14 | C15 | C11 | N10 | 179.4° | 179.9° |
| C14 | C15 | C11 | C12 | 0.7° | 0.0° |
| C15 | C14 | N13 | H13 | 180.0° | 180.0° |
| C15 | C14 | N13 | C12 | 1.3° | 0.0° |
| C15 | C14 | N13 | H12 | 178.7° | 180.0° |
| C11 | N10 | C8 | C20 | 178.7° | 180.0° |
| C11 | N10 | C8 | C9 | 0.3° | 0.1° |
| N10 | C11 | C12 | N13 | 179.9° | 180.0° |
| N10 | C11 | C12 | N7 | 0.1° | 0.0° |
| C8 | N10 | C11 | C12 | 0.4° | 0.1° |
| N10 | C8 | C20 | C22 | 32.7° | 144.9° |
| N10 | C8 | C20 | C9 | 179.0° | 179.9° |
| N10 | C8 | C9 | N7 | 0.2° | 0.0° |
| N10 | C8 | C9 | H11 | 179.8° | 180.0° |
| N10 | C8 | C20 | H16 | 178.7° | 0.8° |
| C11 | C12 | N13 | C14 | 0.8° | 0.0° |
| C11 | C12 | N13 | N7 | 179.8° | 180.0° |
| C11 | C12 | N7 | C9 | 0.5° | 0.0° |
| C11 | C12 | N13 | H12 | 179.2° | 180.0° |
| C14 | N13 | C12 | H12 | 180.0° | 180.0° |
| C14 | N13 | C12 | N7 | 179.4° | 180.0° |
| C22 | C20 | C8 | H16 | 148.6° | 145.7° |
| C22 | C20 | C8 | C9 | 148.3° | 34.9° |
| C20 | C22 | H19 | H20 | 144.7° | 145.8° |
| C20 | C8 | C9 | N7 | 179.2° | 179.9° |
| C20 | C8 | C9 | H11 | 0.8° | 0.1° |
| C8 | C20 | C21 | H17 | 139.0° | 145.0° |
| C8 | C20 | C21 | H18 | 2.1° | 0.0° |
| C8 | C20 | C22 | H19 | 145.4° | 0.0° |
| C8 | C20 | C22 | H20 | 4.4° | 145.1° |
| C8 | C9 | N7 | C12 | 0.6° | 0.0° |
| C8 | C9 | N7 | H11 | 180.0° | 180.0° |
| C9 | C8 | C20 | H16 | 0.3° | 179.3° |
| N13 | C12 | N7 | C9 | 179.7° | 180.0° |
| C12 | N13 | C14 | H13 | 178.7° | 180.0° |
| C12 | N7 | C9 | H11 | 179.4° | 179.9° |
| N7 | C12 | N13 | H12 | 0.6° | 0.0° |
| H1 | C2 | C3 | H3 | 60.1° | 54.4° |
| H1 | C2 | C3 | H4 | 179.9° | 65.7° |
| H2 | C2 | C3 | H3 | 60.8° | 174.9° |
| H2 | C2 | C3 | H4 | 59.2° | 54.8° |
| H3 | C3 | C4 | H5 | 54.2° | 61.4° |
| H3 | C3 | C4 | H6 | 64.7° | 178.6° |
| H4 | C3 | C4 | H5 | 174.3° | 58.7° |
| H4 | C3 | C4 | H6 | 55.4° | 61.3° |
| H5 | C4 | C5 | H7 | 167.3° | 61.4° |
| H5 | C4 | C5 | H8 | 48.0° | 58.6° |
| H6 | C4 | C5 | H7 | 48.3° | 178.6° |
| H6 | C4 | C5 | H8 | 70.9° | 61.4° |
| H7 | C5 | C6 | H9 | 46.3° | 175.1° |
| H7 | C5 | C6 | H10 | 166.3° | 54.5° |
| H8 | C5 | C6 | H9 | 72.9° | 55.0° |
| H8 | C5 | C6 | H10 | 47.1° | 65.5° |
| H12 | N13 | C14 | H13 | 1.3° | 0.0° |
| H14 | N17 | C19 | H15 | 179.9° | 145.0° |
| H15 | C19 | C24 | H21 | 58.9° | 57.5° |
| H15 | C19 | C24 | H22 | 178.9° | 62.4° |
| H15 | C19 | C24 | H23 | 61.1° | 177.5° |
| H16 | C20 | C21 | H17 | 3.2° | 0.0° |
| H16 | C20 | C21 | H18 | 144.3° | 145.0° |
| H16 | C20 | C22 | H19 | 3.3° | 145.1° |
| H16 | C20 | C22 | H20 | 144.3° | 0.0° |
| H17 | C21 | C22 | H19 | 0.0° | 145.0° |
| H17 | C21 | C22 | H20 | 141.1° | 0.0° |
| H18 | C21 | C22 | H19 | 141.1° | 0.0° |
| H18 | C21 | C22 | H20 | 0.0° | 144.9° |
| H21 | C24 | H22 | H23 | 120.0° | 120.0° |
