YEL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C25 | sing | 1.43Å | 1.44Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | CL24 | sing | 1.74Å | 1.72Å | |
| C4 | C5 | sing | 1.39Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | O11 | sing | 1.36Å | 1.38Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.55Å | |
| C7 | C10 | sing | 1.53Å | 1.53Å | |
| O11 | C12 | sing | 1.43Å | 1.48Å | |
| C12 | C13 | sing | 1.51Å | 1.49Å | |
| C13 | N14 | doub | 1.31Å | 1.32Å | Aromatic |
| C13 | N17 | sing | 1.33Å | 1.37Å | Aromatic |
| N14 | C15 | sing | 1.34Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.35Å | 1.37Å | Aromatic |
| C16 | N17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.47Å | 1.47Å | |
| N17 | C18 | sing | 1.46Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | N20 | sing | 1.46Å | 1.44Å | |
| N20 | C21 | sing | 1.35Å | 1.39Å | |
| N20 | C23 | sing | 1.47Å | 1.46Å | |
| C21 | O22 | doub | 1.22Å | 1.23Å | |
| C25 | N26 | trip | 1.14Å | 1.14Å | |
| C10 | H36 | sing | 1.09Å | 1.10Å | |
| C10 | H37 | sing | 1.09Å | 1.10Å | |
| C10 | H35 | sing | 1.09Å | 1.10Å | |
| C15 | H40 | sing | 1.08Å | 1.08Å | |
| C18 | H41 | sing | 1.09Å | 1.10Å | |
| C18 | H42 | sing | 1.09Å | 1.10Å | |
| C19 | H43 | sing | 1.09Å | 1.10Å | |
| C19 | H44 | sing | 1.09Å | 1.10Å | |
| C23 | H45 | sing | 1.09Å | 1.10Å | |
| C23 | H47 | sing | 1.09Å | 1.10Å | |
| C23 | H46 | sing | 1.09Å | 1.10Å | |
| C1 | H27 | sing | 1.08Å | 1.08Å | |
| C4 | H28 | sing | 1.08Å | 1.08Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H30 | sing | 1.09Å | 1.10Å | |
| C9 | H32 | sing | 1.09Å | 1.10Å | |
| C9 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| C12 | H39 | sing | 1.09Å | 1.10Å | |
| C12 | H38 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.7° | 119.9° |
| C1 | C2 | C3 | 117.9° | 119.8° |
| C1 | C2 | C25 | 120.3° | 120.1° |
| C2 | C1 | H27 | 118.6° | 120.1° |
| C1 | C6 | C5 | 116.9° | 120.1° |
| C1 | C6 | C7 | 119.9° | 119.9° |
| C6 | C1 | H27 | 118.6° | 120.0° |
| C3 | C2 | C25 | 121.8° | 120.1° |
| C2 | C3 | C4 | 121.8° | 119.9° |
| C2 | C3 | CL24 | 120.2° | 120.1° |
| C2 | C25 | N26 | 177.7° | 180.0° |
| C4 | C3 | CL24 | 118.0° | 120.1° |
| C3 | C4 | C5 | 119.2° | 120.1° |
| C3 | C4 | H28 | 120.4° | 119.9° |
| C4 | C5 | C6 | 121.4° | 120.2° |
| C4 | C5 | O11 | 122.0° | 119.9° |
| C5 | C4 | H28 | 120.4° | 120.0° |
| C6 | C5 | O11 | 116.5° | 119.9° |
| C5 | C6 | C7 | 123.1° | 119.9° |
| C5 | O11 | C12 | 118.0° | 117.0° |
| C6 | C7 | C8 | 111.5° | 109.5° |
| C6 | C7 | C9 | 109.0° | 109.5° |
| C6 | C7 | C10 | 113.6° | 109.4° |
| C8 | C7 | C9 | 109.4° | 109.5° |
| C8 | C7 | C10 | 106.7° | 109.5° |
| C7 | C8 | H29 | 109.5° | 109.5° |
| C7 | C8 | H31 | 109.5° | 109.5° |
| C7 | C8 | H30 | 109.5° | 109.5° |
| C9 | C7 | C10 | 106.5° | 109.4° |
| C7 | C9 | H32 | 109.5° | 109.4° |
| C7 | C9 | H33 | 109.5° | 109.5° |
| C7 | C9 | H34 | 109.5° | 109.5° |
| C7 | C10 | H36 | 109.5° | 109.5° |
| C7 | C10 | H37 | 109.5° | 109.5° |
| C7 | C10 | H35 | 109.4° | 109.5° |
| O11 | C12 | C13 | 113.8° | 109.4° |
| O11 | C12 | H39 | 108.4° | 109.5° |
| O11 | C12 | H38 | 108.4° | 109.5° |
| C12 | C13 | N14 | 123.0° | 125.5° |
| C12 | C13 | N17 | 124.6° | 125.5° |
| C13 | C12 | H39 | 108.4° | 109.4° |
| C13 | C12 | H38 | 108.4° | 109.5° |
| N14 | C13 | N17 | 112.4° | 109.0° |
| C13 | N14 | C15 | 105.5° | 109.8° |
| C13 | N17 | C16 | 106.0° | 106.9° |
| C13 | N17 | C18 | 130.3° | 131.4° |
| N14 | C15 | C16 | 110.6° | 107.4° |
| N14 | C15 | H40 | 124.7° | 126.3° |
| C15 | C16 | N17 | 105.5° | 106.8° |
| C15 | C16 | C21 | 132.9° | 132.4° |
| C16 | C15 | H40 | 124.7° | 126.3° |
| N17 | C16 | C21 | 121.6° | 120.8° |
| C16 | N17 | C18 | 123.7° | 121.6° |
| C16 | C21 | N20 | 116.0° | 116.3° |
| C16 | C21 | O22 | 122.1° | 121.8° |
| N17 | C18 | C19 | 110.0° | 109.2° |
| N17 | C18 | H41 | 109.3° | 109.5° |
| N17 | C18 | H42 | 109.3° | 109.5° |
| C18 | C19 | N20 | 118.9° | 112.6° |
| C19 | C18 | H41 | 109.4° | 109.5° |
| C19 | C18 | H42 | 109.4° | 109.5° |
| C18 | C19 | H43 | 107.1° | 108.9° |
| C18 | C19 | H44 | 107.1° | 108.9° |
| C19 | N20 | C21 | 120.4° | 121.9° |
| C19 | N20 | C23 | 114.2° | 119.0° |
| N20 | C19 | H43 | 107.1° | 108.8° |
| N20 | C19 | H44 | 107.0° | 108.9° |
| C21 | N20 | C23 | 121.2° | 119.1° |
| N20 | C21 | O22 | 121.9° | 121.9° |
| N20 | C23 | H45 | 109.5° | 109.5° |
| N20 | C23 | H47 | 109.5° | 109.4° |
| N20 | C23 | H46 | 109.5° | 109.4° |
| H36 | C10 | H37 | 109.5° | 109.5° |
| H36 | C10 | H35 | 109.5° | 109.4° |
| H37 | C10 | H35 | 109.5° | 109.4° |
| H41 | C18 | H42 | 109.5° | 109.6° |
| H43 | C19 | H44 | 109.5° | 108.8° |
| H45 | C23 | H47 | 109.5° | 109.5° |
| H45 | C23 | H46 | 109.5° | 109.5° |
| H47 | C23 | H46 | 109.4° | 109.5° |
| H29 | C8 | H31 | 109.5° | 109.5° |
| H29 | C8 | H30 | 109.5° | 109.5° |
| H31 | C8 | H30 | 109.5° | 109.4° |
| H32 | C9 | H33 | 109.5° | 109.5° |
| H32 | C9 | H34 | 109.4° | 109.4° |
| H33 | C9 | H34 | 109.5° | 109.5° |
| H39 | C12 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H27 | 180.0° | 179.7° |
| C1 | C2 | C3 | C25 | 179.2° | 180.0° |
| C1 | C2 | C3 | C4 | 0.8° | 0.0° |
| C1 | C2 | C3 | CL24 | 179.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.6° | 0.0° |
| C2 | C1 | C6 | C7 | 177.8° | 179.9° |
| C1 | C2 | C25 | N26 | 146.0° | 55.3° |
| C6 | C1 | C2 | C3 | 0.7° | 0.0° |
| C6 | C1 | C2 | C25 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 1.9° | 0.0° |
| C1 | C6 | C5 | C7 | 177.2° | 179.9° |
| C1 | C6 | C5 | O11 | 179.6° | 180.0° |
| C1 | C6 | C7 | C8 | 10.9° | 0.1° |
| C1 | C6 | C7 | C9 | 110.0° | 120.0° |
| C1 | C6 | C7 | C10 | 131.5° | 120.0° |
| C2 | C3 | C4 | CL24 | 179.8° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C3 | C2 | C25 | N26 | 34.7° | 124.8° |
| C3 | C2 | C1 | H27 | 179.3° | 179.7° |
| C2 | C3 | C4 | H28 | 179.6° | 180.0° |
| C25 | C2 | C3 | C4 | 179.9° | 179.9° |
| C25 | C2 | C3 | CL24 | 0.2° | 0.0° |
| C25 | C2 | C1 | H27 | 0.1° | 0.4° |
| C3 | C4 | C5 | H28 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.0° |
| C3 | C4 | C5 | O11 | 179.4° | 180.0° |
| CL24 | C3 | C4 | C5 | 179.8° | 179.9° |
| CL24 | C3 | C4 | H28 | 0.2° | 0.0° |
| C4 | C5 | C6 | O11 | 177.7° | 180.0° |
| C4 | C5 | C6 | C7 | 179.0° | 179.9° |
| C4 | C5 | O11 | C12 | 6.0° | 0.1° |
| C5 | C6 | C7 | C8 | 172.1° | 180.0° |
| C5 | C6 | C7 | C9 | 67.1° | 59.9° |
| C5 | C6 | C7 | C10 | 51.5° | 60.0° |
| C6 | C5 | O11 | C12 | 171.7° | 179.9° |
| C5 | C6 | C1 | H27 | 179.4° | 179.7° |
| C6 | C5 | C4 | H28 | 178.2° | 180.0° |
| O11 | C5 | C6 | C7 | 3.3° | 0.1° |
| C5 | O11 | C12 | C13 | 175.0° | 180.0° |
| O11 | C5 | C4 | H28 | 0.6° | 0.0° |
| C5 | O11 | C12 | H39 | 64.3° | 60.1° |
| C5 | O11 | C12 | H38 | 54.4° | 60.0° |
| C6 | C7 | C8 | C9 | 120.7° | 120.1° |
| C6 | C7 | C8 | C10 | 124.5° | 120.0° |
| C6 | C7 | C9 | C10 | 122.9° | 120.0° |
| C6 | C7 | C10 | H36 | 180.0° | 60.0° |
| C6 | C7 | C10 | H37 | 60.0° | 180.0° |
| C6 | C7 | C10 | H35 | 60.0° | 60.0° |
| C7 | C6 | C1 | H27 | 2.1° | 0.3° |
| C6 | C7 | C8 | H29 | 180.0° | 60.0° |
| C6 | C7 | C8 | H31 | 60.0° | 180.0° |
| C6 | C7 | C8 | H30 | 60.0° | 60.1° |
| C6 | C7 | C9 | H32 | 180.0° | 60.0° |
| C6 | C7 | C9 | H33 | 60.0° | 180.0° |
| C6 | C7 | C9 | H34 | 60.0° | 59.9° |
| C8 | C7 | C9 | C10 | 115.0° | 120.0° |
| C8 | C7 | C10 | H36 | 56.8° | 180.0° |
| C8 | C7 | C10 | H37 | 176.7° | 60.0° |
| C8 | C7 | C10 | H35 | 63.3° | 60.0° |
| C7 | C8 | H29 | H31 | 120.0° | 120.0° |
| C7 | C8 | H29 | H30 | 120.0° | 120.0° |
| C7 | C8 | H31 | H30 | 120.0° | 120.0° |
| C8 | C7 | C9 | H32 | 57.9° | 60.0° |
| C8 | C7 | C9 | H33 | 62.1° | 60.0° |
| C8 | C7 | C9 | H34 | 177.8° | 180.0° |
| C9 | C7 | C10 | H36 | 60.0° | 60.0° |
| C9 | C7 | C10 | H37 | 60.0° | 60.0° |
| C9 | C7 | C10 | H35 | 180.0° | 180.0° |
| C9 | C7 | C8 | H29 | 59.3° | 180.0° |
| C9 | C7 | C8 | H31 | 179.3° | 60.0° |
| C9 | C7 | C8 | H30 | 60.7° | 60.0° |
| C7 | C9 | H32 | H33 | 120.0° | 120.0° |
| C7 | C9 | H32 | H34 | 120.0° | 120.0° |
| C7 | C9 | H33 | H34 | 120.0° | 120.1° |
| C7 | C10 | H36 | H37 | 120.0° | 120.1° |
| C7 | C10 | H36 | H35 | 120.0° | 120.0° |
| C7 | C10 | H37 | H35 | 120.0° | 120.0° |
| C10 | C7 | C8 | H29 | 55.5° | 60.0° |
| C10 | C7 | C8 | H31 | 64.5° | 60.0° |
| C10 | C7 | C8 | H30 | 175.5° | 180.0° |
| C10 | C7 | C9 | H32 | 57.1° | 180.0° |
| C10 | C7 | C9 | H33 | 177.1° | 60.0° |
| C10 | C7 | C9 | H34 | 62.9° | 60.0° |
| O11 | C12 | C13 | H39 | 120.6° | 119.9° |
| O11 | C12 | C13 | H38 | 120.6° | 120.1° |
| O11 | C12 | C13 | N14 | 111.4° | 90.1° |
| O11 | C12 | C13 | N17 | 70.6° | 90.2° |
| O11 | C12 | H39 | H38 | 118.0° | 120.1° |
| C12 | C13 | N14 | N17 | 178.2° | 179.7° |
| C12 | C13 | N14 | C15 | 179.2° | 180.0° |
| C12 | C13 | N17 | C16 | 179.5° | 179.6° |
| C12 | C13 | N17 | C18 | 0.4° | 0.9° |
| C13 | C12 | H39 | H38 | 118.0° | 120.0° |
| C13 | N14 | C15 | C16 | 1.9° | 0.2° |
| N14 | C13 | N17 | C16 | 2.3° | 0.6° |
| N14 | C13 | N17 | C18 | 178.6° | 178.8° |
| C13 | N14 | C15 | H40 | 178.1° | 179.9° |
| N14 | C13 | C12 | H39 | 9.3° | 150.0° |
| N14 | C13 | C12 | H38 | 128.0° | 30.0° |
| N17 | C13 | N14 | C15 | 2.6° | 0.3° |
| C13 | N17 | C16 | C15 | 1.0° | 0.7° |
| C13 | N17 | C16 | C18 | 179.2° | 179.5° |
| C13 | N17 | C16 | C21 | 178.9° | 180.0° |
| C13 | N17 | C18 | C19 | 165.0° | 151.5° |
| C13 | N17 | C18 | H41 | 44.9° | 31.6° |
| C13 | N17 | C18 | H42 | 74.9° | 88.6° |
| N17 | C13 | C12 | H39 | 168.7° | 29.7° |
| N17 | C13 | C12 | H38 | 50.0° | 149.7° |
| N14 | C15 | C16 | H40 | 180.0° | 179.9° |
| N14 | C15 | C16 | N17 | 0.5° | 0.6° |
| N14 | C15 | C16 | C21 | 179.6° | 179.7° |
| C15 | C16 | N17 | C21 | 179.9° | 179.3° |
| C15 | C16 | N17 | C18 | 179.8° | 178.8° |
| C15 | C16 | C21 | N20 | 179.5° | 170.0° |
| C15 | C16 | C21 | O22 | 0.6° | 9.9° |
| C16 | N17 | C18 | C19 | 16.0° | 29.1° |
| N17 | C16 | C21 | N20 | 0.6° | 10.9° |
| N17 | C16 | C21 | O22 | 179.2° | 169.2° |
| N17 | C16 | C15 | H40 | 179.5° | 179.5° |
| C16 | N17 | C18 | H41 | 136.1° | 149.0° |
| C16 | N17 | C18 | H42 | 104.1° | 90.8° |
| C21 | C16 | N17 | C18 | 0.3° | 0.5° |
| C16 | C21 | N20 | C19 | 17.5° | 10.5° |
| C16 | C21 | N20 | O22 | 179.9° | 179.9° |
| C16 | C21 | N20 | C23 | 173.1° | 169.6° |
| C21 | C16 | C15 | H40 | 0.4° | 0.4° |
| N17 | C18 | C19 | H41 | 120.1° | 119.9° |
| N17 | C18 | C19 | H42 | 120.1° | 119.9° |
| N17 | C18 | C19 | N20 | 33.4° | 46.9° |
| N17 | C18 | H41 | H42 | 119.7° | 120.1° |
| N17 | C18 | C19 | H43 | 88.0° | 167.7° |
| N17 | C18 | C19 | H44 | 154.7° | 73.9° |
| C18 | C19 | N20 | H43 | 121.3° | 120.8° |
| C18 | C19 | N20 | H44 | 121.4° | 120.8° |
| C18 | C19 | N20 | C21 | 36.5° | 40.5° |
| C18 | C19 | N20 | C23 | 166.4° | 139.6° |
| C19 | C18 | H41 | H42 | 119.8° | 120.1° |
| C18 | C19 | H43 | H44 | 115.8° | 118.5° |
| C19 | N20 | C21 | C23 | 155.5° | 180.0° |
| C19 | N20 | C21 | O22 | 162.6° | 169.5° |
| N20 | C19 | C18 | H41 | 153.4° | 166.8° |
| N20 | C19 | C18 | H42 | 86.7° | 73.0° |
| N20 | C19 | H43 | H44 | 115.7° | 118.4° |
| C19 | N20 | C23 | H45 | 180.0° | 90.0° |
| C19 | N20 | C23 | H47 | 60.0° | 150.0° |
| C19 | N20 | C23 | H46 | 60.0° | 30.1° |
| C21 | N20 | C19 | H43 | 84.9° | 161.3° |
| C21 | N20 | C19 | H44 | 157.8° | 80.3° |
| C21 | N20 | C23 | H45 | 23.1° | 90.0° |
| C21 | N20 | C23 | H47 | 97.0° | 30.0° |
| C21 | N20 | C23 | H46 | 143.1° | 150.0° |
| C23 | N20 | C21 | O22 | 7.1° | 10.5° |
| C23 | N20 | C19 | H43 | 72.2° | 18.7° |
| C23 | N20 | C19 | H44 | 45.1° | 99.6° |
| N20 | C23 | H45 | H47 | 120.0° | 120.0° |
| N20 | C23 | H45 | H46 | 120.0° | 120.0° |
| N20 | C23 | H47 | H46 | 120.0° | 119.9° |
| H36 | C10 | H37 | H35 | 120.0° | 119.9° |
| H41 | C18 | C19 | H43 | 32.1° | 72.4° |
| H41 | C18 | C19 | H44 | 85.2° | 46.0° |
| H42 | C18 | C19 | H43 | 152.0° | 47.8° |
| H42 | C18 | C19 | H44 | 34.6° | 166.2° |
| H45 | C23 | H47 | H46 | 120.0° | 120.1° |
| H29 | C8 | H31 | H30 | 120.0° | 120.0° |
| H32 | C9 | H33 | H34 | 120.0° | 120.0° |
