YME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C4 | sing | 1.33Å | 1.39Å | Aromatic |
| C2 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.45Å | |
| C3 | C5 | sing | 1.46Å | 1.44Å | Aromatic |
| C3 | C8 | sing | 1.48Å | 1.48Å | |
| C3 | C6 | doub | 1.39Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.42Å | 1.41Å | Aromatic |
| C4 | C9 | sing | 1.41Å | 1.42Å | Aromatic |
| C5 | C15 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C10 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | O11 | doub | 1.21Å | 1.24Å | |
| C8 | O12 | sing | 1.35Å | 1.35Å | |
| C9 | CL13 | sing | 1.74Å | 1.70Å | |
| C9 | C18 | doub | 1.36Å | 1.35Å | Aromatic |
| C10 | O14 | sing | 1.36Å | 1.34Å | |
| C10 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C16 | C20 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C19 | C21 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| O12 | H23 | sing | 0.97Å | 0.95Å | |
| O14 | H24 | sing | 0.97Å | 0.95Å | |
| C15 | H25 | sing | 1.08Å | 1.08Å | |
| C16 | H26 | sing | 1.08Å | 1.08Å | |
| C17 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H28 | sing | 1.08Å | 1.08Å | |
| C19 | H29 | sing | 1.08Å | 1.08Å | |
| C20 | H30 | sing | 1.08Å | 1.08Å | |
| C21 | H31 | sing | 1.08Å | 1.08Å | |
| C6 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C4 | 118.0° | 122.4° |
| N1 | C2 | C6 | 122.7° | 122.3° |
| N1 | C2 | C7 | 118.1° | 118.9° |
| N1 | C4 | C5 | 123.2° | 120.0° |
| N1 | C4 | C9 | 117.9° | 121.1° |
| C6 | C2 | C7 | 119.2° | 118.9° |
| C2 | C6 | C3 | 118.9° | 119.4° |
| C2 | C6 | H22 | 120.5° | 120.3° |
| C2 | C7 | C10 | 123.0° | 120.2° |
| C2 | C7 | C16 | 117.8° | 120.1° |
| C5 | C3 | C8 | 122.0° | 121.4° |
| C5 | C3 | C6 | 121.2° | 117.3° |
| C3 | C5 | C4 | 116.1° | 118.7° |
| C3 | C5 | C15 | 125.5° | 121.5° |
| C8 | C3 | C6 | 116.8° | 121.3° |
| C3 | C8 | O11 | 126.9° | 120.0° |
| C3 | C8 | O12 | 112.3° | 120.0° |
| C3 | C6 | H22 | 120.5° | 120.4° |
| C5 | C4 | C9 | 118.9° | 118.9° |
| C4 | C5 | C15 | 118.5° | 119.8° |
| C4 | C9 | CL13 | 117.9° | 120.1° |
| C4 | C9 | C18 | 122.4° | 119.7° |
| C5 | C15 | C17 | 120.4° | 119.6° |
| C5 | C15 | H25 | 119.8° | 120.2° |
| C10 | C7 | C16 | 119.2° | 119.7° |
| C7 | C10 | O14 | 126.1° | 120.1° |
| C7 | C10 | C19 | 120.1° | 119.7° |
| C7 | C16 | C20 | 120.1° | 119.9° |
| C7 | C16 | H26 | 119.9° | 120.0° |
| O11 | C8 | O12 | 120.8° | 119.9° |
| C8 | O12 | H23 | 109.5° | 117.1° |
| CL13 | C9 | C18 | 119.5° | 120.2° |
| C9 | C18 | C17 | 118.4° | 121.1° |
| C9 | C18 | H28 | 120.8° | 119.5° |
| O14 | C10 | C19 | 113.8° | 120.1° |
| C10 | O14 | H24 | 109.5° | 114.0° |
| C10 | C19 | C21 | 119.3° | 120.0° |
| C10 | C19 | H29 | 120.4° | 119.9° |
| C15 | C17 | C18 | 121.3° | 120.8° |
| C17 | C15 | H25 | 119.8° | 120.2° |
| C15 | C17 | H27 | 119.3° | 119.5° |
| C16 | C20 | C21 | 120.2° | 120.3° |
| C20 | C16 | H26 | 120.0° | 120.1° |
| C16 | C20 | H30 | 119.9° | 119.9° |
| C18 | C17 | H27 | 119.3° | 119.6° |
| C17 | C18 | H28 | 120.8° | 119.5° |
| C19 | C21 | C20 | 121.2° | 120.3° |
| C21 | C19 | H29 | 120.4° | 120.0° |
| C19 | C21 | H31 | 119.4° | 119.8° |
| C21 | C20 | H30 | 119.9° | 119.8° |
| C20 | C21 | H31 | 119.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C6 | C7 | 177.5° | 180.0° |
| N1 | C2 | C6 | C3 | 0.0° | 0.0° |
| C2 | N1 | C4 | C5 | 0.1° | 0.0° |
| C2 | N1 | C4 | C9 | 179.7° | 179.5° |
| N1 | C2 | C7 | C10 | 4.0° | 0.0° |
| N1 | C2 | C7 | C16 | 172.3° | 180.0° |
| N1 | C2 | C6 | H22 | 179.9° | 179.9° |
| C4 | N1 | C2 | C6 | 0.3° | 0.1° |
| C4 | N1 | C2 | C7 | 177.2° | 180.0° |
| N1 | C4 | C5 | C3 | 0.9° | 0.0° |
| N1 | C4 | C5 | C9 | 179.9° | 179.5° |
| N1 | C4 | C5 | C15 | 178.9° | 179.9° |
| N1 | C4 | C9 | CL13 | 6.6° | 0.5° |
| N1 | C4 | C9 | C18 | 177.7° | 179.7° |
| C2 | C6 | C3 | C5 | 0.8° | 0.0° |
| C2 | C6 | C3 | C8 | 176.9° | 180.0° |
| C2 | C6 | C3 | H22 | 180.0° | 179.9° |
| C6 | C2 | C7 | C10 | 178.4° | 180.0° |
| C6 | C2 | C7 | C16 | 5.3° | 0.0° |
| C7 | C2 | C6 | C3 | 177.5° | 180.0° |
| C2 | C7 | C10 | C16 | 176.3° | 179.9° |
| C2 | C7 | C10 | O14 | 6.1° | 0.1° |
| C2 | C7 | C10 | C19 | 175.4° | 179.7° |
| C2 | C7 | C16 | C20 | 175.9° | 180.0° |
| C2 | C7 | C16 | H26 | 4.2° | 0.3° |
| C7 | C2 | C6 | H22 | 2.5° | 0.1° |
| C5 | C3 | C8 | C6 | 177.8° | 180.0° |
| C3 | C5 | C4 | C15 | 179.8° | 179.9° |
| C3 | C5 | C4 | C9 | 179.0° | 179.5° |
| C5 | C3 | C8 | O11 | 127.8° | 5.7° |
| C5 | C3 | C8 | O12 | 53.1° | 174.4° |
| C3 | C5 | C15 | C17 | 179.3° | 180.0° |
| C3 | C5 | C15 | H25 | 0.7° | 0.1° |
| C5 | C3 | C6 | H22 | 179.1° | 179.9° |
| C8 | C3 | C5 | C4 | 176.4° | 180.0° |
| C8 | C3 | C5 | C15 | 3.8° | 0.1° |
| C3 | C8 | O11 | O12 | 179.1° | 179.9° |
| C3 | C8 | O12 | H23 | 179.2° | 180.0° |
| C8 | C3 | C6 | H22 | 3.1° | 0.1° |
| C6 | C3 | C5 | C4 | 1.2° | 0.0° |
| C6 | C3 | C5 | C15 | 178.5° | 180.0° |
| C6 | C3 | C8 | O11 | 50.0° | 174.3° |
| C6 | C3 | C8 | O12 | 129.2° | 5.6° |
| C5 | C4 | C9 | CL13 | 173.3° | 180.0° |
| C5 | C4 | C9 | C18 | 2.4° | 0.8° |
| C4 | C5 | C15 | C17 | 0.5° | 0.0° |
| C4 | C5 | C15 | H25 | 179.5° | 179.8° |
| C9 | C4 | C5 | C15 | 1.2° | 0.6° |
| C4 | C9 | CL13 | C18 | 175.9° | 179.2° |
| C4 | C9 | C18 | C17 | 1.8° | 0.5° |
| C4 | C9 | C18 | H28 | 178.2° | 179.5° |
| C5 | C15 | C17 | H25 | 180.0° | 179.8° |
| C5 | C15 | C17 | C18 | 1.1° | 0.2° |
| C5 | C15 | C17 | H27 | 178.9° | 179.8° |
| C7 | C10 | O14 | C19 | 178.6° | 179.8° |
| C10 | C7 | C16 | C20 | 0.6° | 0.0° |
| C7 | C10 | C19 | C21 | 0.7° | 0.3° |
| C7 | C10 | O14 | H24 | 180.0° | 90.3° |
| C10 | C7 | C16 | H26 | 179.4° | 179.8° |
| C7 | C10 | C19 | H29 | 179.3° | 179.8° |
| C16 | C7 | C10 | O14 | 177.7° | 180.0° |
| C16 | C7 | C10 | C19 | 0.9° | 0.2° |
| C7 | C16 | C20 | H26 | 180.0° | 179.7° |
| C7 | C16 | C20 | C21 | 0.0° | 0.3° |
| C7 | C16 | C20 | H30 | 180.0° | 179.7° |
| O11 | C8 | O12 | H23 | 0.0° | 0.1° |
| CL13 | C9 | C18 | C17 | 173.9° | 179.7° |
| CL13 | C9 | C18 | H28 | 6.1° | 0.3° |
| C9 | C18 | C17 | C15 | 0.0° | 0.0° |
| C9 | C18 | C17 | H28 | 180.0° | 179.9° |
| C9 | C18 | C17 | H27 | 180.0° | 179.9° |
| O14 | C10 | C19 | C21 | 178.1° | 180.0° |
| O14 | C10 | C19 | H29 | 1.9° | 0.0° |
| C10 | C19 | C21 | H29 | 180.0° | 179.9° |
| C10 | C19 | C21 | C20 | 0.1° | 0.0° |
| C19 | C10 | O14 | H24 | 1.3° | 90.0° |
| C10 | C19 | C21 | H31 | 179.9° | 180.0° |
| C15 | C17 | C18 | H27 | 180.0° | 179.9° |
| C15 | C17 | C18 | H28 | 180.0° | 179.9° |
| C16 | C20 | C21 | C19 | 0.2° | 0.2° |
| C16 | C20 | C21 | H30 | 180.0° | 180.0° |
| C16 | C20 | C21 | H31 | 179.8° | 179.7° |
| C18 | C17 | C15 | H25 | 178.9° | 179.9° |
| C19 | C21 | C20 | H31 | 180.0° | 180.0° |
| C19 | C21 | C20 | H30 | 179.8° | 179.8° |
| C21 | C20 | C16 | H26 | 179.9° | 180.0° |
| C20 | C21 | C19 | H29 | 179.9° | 180.0° |
| H25 | C15 | C17 | H27 | 1.1° | 0.0° |
| H26 | C16 | C20 | H30 | 0.1° | 0.0° |
| H27 | C17 | C18 | H28 | 0.0° | 0.0° |
| H29 | C19 | C21 | H31 | 0.1° | 0.1° |
| H30 | C20 | C21 | H31 | 0.2° | 0.3° |
