Y19
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.25Å | |
| C2 | N3 | sing | 1.34Å | 1.35Å | |
| C2 | N1 | sing | 1.33Å | 1.35Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | O4 | doub | 1.21Å | 1.25Å | |
| C4 | C5 | sing | 1.52Å | 1.48Å | |
| N1 | C6 | doub | 1.31Å | 1.36Å | |
| C6 | C5 | sing | 1.52Å | 1.49Å | |
| C6 | N7 | sing | 1.35Å | 1.36Å | |
| C5 | N13 | sing | 1.46Å | 1.46Å | |
| N13 | C14 | sing | 1.35Å | 1.34Å | |
| C14 | C15 | sing | 1.51Å | 1.52Å | |
| C14 | O23 | doub | 1.21Å | 1.22Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| N7 | C8 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | O9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | O10 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | O11 | sing | 1.43Å | 1.43Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | O12 | sing | 1.43Å | 1.43Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O9 | HA | sing | 0.97Å | 0.95Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| O10 | HB | sing | 0.97Å | 0.95Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| O11 | HC | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 120.0° | 117.6° |
| O2 | C2 | N1 | 119.0° | 117.6° |
| N3 | C2 | N1 | 121.0° | 124.8° |
| C2 | N3 | C4 | 122.2° | 121.5° |
| C2 | N3 | H3 | 118.9° | 119.3° |
| C2 | N1 | C6 | 122.4° | 122.6° |
| N3 | C4 | O4 | 119.9° | 121.5° |
| N3 | C4 | C5 | 120.8° | 117.1° |
| C4 | N3 | H3 | 118.9° | 119.2° |
| O4 | C4 | C5 | 119.3° | 121.5° |
| C4 | C5 | C6 | 113.3° | 116.2° |
| C4 | C5 | N13 | 113.1° | 108.2° |
| C4 | C5 | H5 | 105.7° | 108.1° |
| N1 | C6 | C5 | 120.3° | 117.8° |
| N1 | C6 | N7 | 119.3° | 121.1° |
| C5 | C6 | N7 | 120.4° | 121.1° |
| C6 | C5 | N13 | 113.9° | 107.9° |
| C6 | C5 | H5 | 104.7° | 108.3° |
| C6 | N7 | C8 | 121.3° | 120.0° |
| C6 | N7 | H7 | 119.3° | 119.9° |
| C5 | N13 | C14 | 122.0° | 120.0° |
| N13 | C5 | H5 | 105.0° | 107.9° |
| C5 | N13 | H13 | 119.0° | 120.0° |
| N13 | C14 | C15 | 118.3° | 120.0° |
| N13 | C14 | O23 | 122.1° | 120.0° |
| C14 | N13 | H13 | 119.0° | 120.0° |
| C15 | C14 | O23 | 119.6° | 120.0° |
| C14 | C15 | C16 | 111.9° | 109.5° |
| C14 | C15 | H151 | 108.7° | 109.5° |
| C14 | C15 | H152 | 108.1° | 109.4° |
| C16 | C15 | H151 | 108.7° | 109.5° |
| C16 | C15 | H152 | 108.1° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.4° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.4° | 109.4° |
| N7 | C8 | C9 | 111.6° | 109.5° |
| C8 | N7 | H7 | 119.3° | 120.0° |
| N7 | C8 | H8C1 | 108.8° | 109.5° |
| N7 | C8 | H8C2 | 108.3° | 109.5° |
| C8 | C9 | O9 | 110.1° | 109.4° |
| C8 | C9 | C10 | 109.5° | 109.5° |
| C9 | C8 | H8C1 | 108.8° | 109.5° |
| C9 | C8 | H8C2 | 108.3° | 109.4° |
| C8 | C9 | H9 | 108.7° | 109.4° |
| O9 | C9 | C10 | 108.5° | 109.5° |
| O9 | C9 | H9 | 109.7° | 109.5° |
| C9 | O9 | HA | 109.5° | 114.0° |
| C9 | C10 | O10 | 109.9° | 109.5° |
| C9 | C10 | C11 | 111.5° | 109.5° |
| C10 | C9 | H9 | 110.3° | 109.5° |
| C9 | C10 | H10 | 108.1° | 109.5° |
| O10 | C10 | C11 | 110.2° | 109.5° |
| O10 | C10 | H10 | 109.4° | 109.5° |
| C10 | O10 | HB | 109.5° | 114.0° |
| C10 | C11 | O11 | 109.8° | 109.5° |
| C10 | C11 | C12 | 112.2° | 109.4° |
| C11 | C10 | H10 | 107.7° | 109.4° |
| C10 | C11 | H11 | 107.5° | 109.4° |
| O11 | C11 | C12 | 109.9° | 109.5° |
| O11 | C11 | H11 | 110.0° | 109.6° |
| C11 | O11 | HC | 109.5° | 114.0° |
| C11 | C12 | O12 | 110.6° | 109.4° |
| C12 | C11 | H11 | 107.4° | 109.5° |
| C11 | C12 | H121 | 109.1° | 109.5° |
| C11 | C12 | H122 | 108.8° | 109.5° |
| O12 | C12 | H121 | 109.1° | 109.4° |
| O12 | C12 | H122 | 108.8° | 109.4° |
| C12 | O12 | H12 | 109.5° | 114.0° |
| H151 | C15 | H152 | 111.4° | 109.4° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H8C1 | C8 | H8C2 | 111.1° | 109.4° |
| H121 | C12 | H122 | 110.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 179.6° | 179.8° |
| O2 | C2 | N3 | C4 | 179.6° | 180.0° |
| O2 | C2 | N1 | C6 | 179.6° | 179.9° |
| O2 | C2 | N3 | H3 | 0.4° | 0.0° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.5° | 179.9° |
| C2 | N3 | C4 | C5 | 1.9° | 0.0° |
| N3 | C2 | N1 | C6 | 0.0° | 0.2° |
| N1 | C2 | N3 | C4 | 0.0° | 0.3° |
| C2 | N1 | C6 | C5 | 1.7° | 0.1° |
| C2 | N1 | C6 | N7 | 179.0° | 180.0° |
| N1 | C2 | N3 | H3 | 180.0° | 179.8° |
| N3 | C4 | O4 | C5 | 177.6° | 179.9° |
| N3 | C4 | C5 | C6 | 3.4° | 0.2° |
| N3 | C4 | C5 | N13 | 134.9° | 121.7° |
| N3 | C4 | C5 | H5 | 110.7° | 121.7° |
| O4 | C4 | C5 | C6 | 179.0° | 179.7° |
| O4 | C4 | C5 | N13 | 47.5° | 58.2° |
| O4 | C4 | N3 | H3 | 0.5° | 0.1° |
| O4 | C4 | C5 | H5 | 66.9° | 58.4° |
| C4 | C5 | C6 | N1 | 3.3° | 0.3° |
| C4 | C5 | C6 | N13 | 131.1° | 121.6° |
| C4 | C5 | C6 | H5 | 114.7° | 121.8° |
| C4 | C5 | C6 | N7 | 179.5° | 179.8° |
| C4 | C5 | N13 | H5 | 114.8° | 116.7° |
| C4 | C5 | N13 | C14 | 109.4° | 85.0° |
| C5 | C4 | N3 | H3 | 178.1° | 180.0° |
| C4 | C5 | N13 | H13 | 70.6° | 95.0° |
| N1 | C6 | C5 | N7 | 177.2° | 179.9° |
| N1 | C6 | C5 | N13 | 134.4° | 121.9° |
| N1 | C6 | N7 | C8 | 2.7° | 0.1° |
| N1 | C6 | C5 | H5 | 111.4° | 121.6° |
| N1 | C6 | N7 | H7 | 177.3° | 180.0° |
| C6 | C5 | N13 | H5 | 114.0° | 116.8° |
| C6 | C5 | N13 | C14 | 119.3° | 148.5° |
| C5 | C6 | N7 | C8 | 179.9° | 180.0° |
| C5 | C6 | N7 | H7 | 0.1° | 0.1° |
| C6 | C5 | N13 | H13 | 60.7° | 31.5° |
| N7 | C6 | C5 | N13 | 48.4° | 58.2° |
| C6 | N7 | C8 | H7 | 180.0° | 179.9° |
| C6 | N7 | C8 | C9 | 86.5° | 180.0° |
| N7 | C6 | C5 | H5 | 65.8° | 58.3° |
| C6 | N7 | C8 | H8C1 | 153.5° | 59.9° |
| C6 | N7 | C8 | H8C2 | 32.6° | 60.1° |
| C5 | N13 | C14 | H13 | 180.0° | 180.0° |
| C5 | N13 | C14 | C15 | 0.5° | 180.0° |
| C5 | N13 | C14 | O23 | 179.7° | 0.0° |
| N13 | C14 | C15 | O23 | 179.3° | 179.9° |
| N13 | C14 | C15 | C16 | 110.8° | 180.0° |
| C14 | N13 | C5 | H5 | 5.3° | 31.7° |
| N13 | C14 | C15 | H151 | 129.2° | 59.9° |
| N13 | C14 | C15 | H152 | 8.2° | 60.0° |
| C14 | C15 | C16 | H151 | 120.0° | 120.1° |
| C14 | C15 | C16 | H152 | 119.0° | 119.9° |
| C15 | C14 | N13 | H13 | 179.5° | 0.0° |
| C14 | C15 | H151 | H152 | 119.0° | 119.9° |
| C14 | C15 | C16 | H161 | 151.7° | 180.0° |
| C14 | C15 | C16 | H162 | 31.7° | 60.0° |
| C14 | C15 | C16 | H163 | 88.4° | 60.0° |
| O23 | C14 | C15 | C16 | 70.0° | 0.0° |
| O23 | C14 | N13 | H13 | 0.3° | 180.0° |
| O23 | C14 | C15 | H151 | 50.0° | 120.0° |
| O23 | C14 | C15 | H152 | 171.1° | 120.1° |
| C16 | C15 | H151 | H152 | 119.0° | 120.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| N7 | C8 | C9 | H8C1 | 120.0° | 120.0° |
| N7 | C8 | C9 | H8C2 | 119.1° | 120.0° |
| N7 | C8 | C9 | O9 | 76.8° | 60.0° |
| N7 | C8 | C9 | C10 | 164.0° | 180.0° |
| N7 | C8 | H8C1 | H8C2 | 119.1° | 120.0° |
| N7 | C8 | C9 | H9 | 43.4° | 60.0° |
| C8 | C9 | O9 | C10 | 119.9° | 120.0° |
| C8 | C9 | O9 | H9 | 119.6° | 119.9° |
| C8 | C9 | C10 | H9 | 119.6° | 120.0° |
| C8 | C9 | C10 | O10 | 45.0° | 60.0° |
| C8 | C9 | C10 | C11 | 77.5° | 180.0° |
| C9 | C8 | N7 | H7 | 93.5° | 0.0° |
| C9 | C8 | H8C1 | H8C2 | 119.1° | 119.9° |
| C8 | C9 | O9 | HA | 174.2° | 60.0° |
| C8 | C9 | C10 | H10 | 164.3° | 60.1° |
| O9 | C9 | C10 | H9 | 120.2° | 120.0° |
| O9 | C9 | C10 | O10 | 75.2° | 180.0° |
| O9 | C9 | C10 | C11 | 162.3° | 60.0° |
| O9 | C9 | C8 | H8C1 | 163.2° | 180.0° |
| O9 | C9 | C8 | H8C2 | 42.3° | 60.1° |
| O9 | C9 | C10 | H10 | 44.1° | 59.9° |
| C9 | C10 | O10 | C11 | 123.2° | 120.0° |
| C9 | C10 | O10 | H10 | 118.5° | 120.0° |
| C9 | C10 | C11 | H10 | 118.4° | 120.0° |
| C9 | C10 | C11 | O11 | 63.3° | 60.0° |
| C9 | C10 | C11 | C12 | 174.2° | 180.0° |
| C10 | C9 | C8 | H8C1 | 44.0° | 60.0° |
| C10 | C9 | C8 | H8C2 | 76.9° | 60.0° |
| C10 | C9 | O9 | HA | 54.4° | 60.0° |
| C9 | C10 | O10 | HB | 124.8° | 60.0° |
| C9 | C10 | C11 | H11 | 56.3° | 60.1° |
| O10 | C10 | C11 | H10 | 119.3° | 120.0° |
| O10 | C10 | C11 | O11 | 174.5° | 180.0° |
| O10 | C10 | C11 | C12 | 52.0° | 60.0° |
| O10 | C10 | C9 | H9 | 164.6° | 60.0° |
| O10 | C10 | C11 | H11 | 65.9° | 60.0° |
| C10 | C11 | O11 | C12 | 123.9° | 120.0° |
| C10 | C11 | O11 | H11 | 118.1° | 119.9° |
| C10 | C11 | C12 | H11 | 117.9° | 119.9° |
| C10 | C11 | C12 | O12 | 64.6° | 174.9° |
| C11 | C10 | C9 | H9 | 42.1° | 60.0° |
| C11 | C10 | O10 | HB | 111.9° | 60.0° |
| C10 | C11 | O11 | HC | 117.7° | 60.0° |
| C10 | C11 | C12 | H121 | 175.4° | 55.0° |
| C10 | C11 | C12 | H122 | 54.9° | 65.1° |
| O11 | C11 | C12 | H11 | 119.6° | 120.1° |
| O11 | C11 | C12 | O12 | 57.9° | 65.1° |
| O11 | C11 | C10 | H10 | 55.2° | 60.0° |
| O11 | C11 | C12 | H121 | 62.1° | 175.0° |
| O11 | C11 | C12 | H122 | 177.4° | 54.9° |
| C11 | C12 | O12 | H121 | 120.0° | 120.0° |
| C11 | C12 | O12 | H122 | 119.5° | 120.0° |
| C12 | C11 | C10 | H10 | 67.3° | 60.0° |
| C12 | C11 | O11 | HC | 118.4° | 59.9° |
| C11 | C12 | H121 | H122 | 119.5° | 120.1° |
| C11 | C12 | O12 | H12 | 176.4° | 180.0° |
| O12 | C12 | C11 | H11 | 177.5° | 55.1° |
| O12 | C12 | H121 | H122 | 119.5° | 119.9° |
| H5 | C5 | N13 | H13 | 174.7° | 148.3° |
| H7 | N7 | C8 | H8C1 | 26.5° | 120.0° |
| H7 | N7 | C8 | H8C2 | 147.4° | 120.0° |
| H151 | C15 | C16 | H161 | 88.3° | 60.0° |
| H151 | C15 | C16 | H162 | 151.7° | 179.9° |
| H151 | C15 | C16 | H163 | 31.6° | 60.0° |
| H152 | C15 | C16 | H161 | 32.7° | 60.0° |
| H152 | C15 | C16 | H162 | 87.3° | 60.0° |
| H152 | C15 | C16 | H163 | 152.7° | 180.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.1° |
| H8C1 | C8 | C9 | H9 | 76.6° | 60.1° |
| H8C2 | C8 | C9 | H9 | 162.5° | NaN° |
| H9 | C9 | O9 | HA | 66.2° | 180.0° |
| H9 | C9 | C10 | H10 | 76.1° | 180.0° |
| H10 | C10 | O10 | HB | 6.3° | 180.0° |
| H10 | C10 | C11 | H11 | 174.8° | 180.0° |
| H11 | C11 | O11 | HC | 0.4° | 180.0° |
| H11 | C11 | C12 | H121 | 57.5° | 64.9° |
| H11 | C11 | C12 | H122 | 63.0° | 175.0° |
| H121 | C12 | O12 | H12 | 63.6° | 60.0° |
| H122 | C12 | O12 | H12 | 56.9° | 60.0° |
