YEY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C8 | sing | 1.37Å | 1.32Å | Aromatic |
| N | C9 | sing | 1.36Å | 1.32Å | Aromatic |
| C | O | sing | 1.43Å | 1.40Å | |
| C | C1 | sing | 1.54Å | 1.51Å | |
| O | C3 | sing | 1.36Å | 1.43Å | |
| C1 | O1 | sing | 1.43Å | 1.39Å | |
| C10 | C11 | sing | 1.41Å | 1.39Å | Aromatic |
| C10 | C9 | doub | 1.35Å | 1.39Å | Aromatic |
| C11 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.42Å | |
| C3 | C4 | sing | 1.38Å | 1.43Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C8 | sing | 1.48Å | 1.52Å | |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C6 | H61 | sing | 1.08Å | 1.08Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C9 | H91 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N | C9 | 110.1° | 108.6° |
| N | C8 | C11 | 109.1° | 107.9° |
| N | C8 | C5 | 124.5° | 126.1° |
| C8 | N | H1 | 124.9° | 125.7° |
| N | C9 | C10 | 108.5° | 108.4° |
| N | C9 | H91 | 125.8° | 125.8° |
| C9 | N | H1 | 125.0° | 125.7° |
| O | C | C1 | 115.5° | 108.2° |
| C | O | C3 | 114.7° | 116.6° |
| O | C | HC2 | 108.0° | 109.7° |
| O | C | HC3 | 108.0° | 109.7° |
| C | C1 | O1 | 111.7° | 108.0° |
| C | C1 | H11 | 108.9° | 109.6° |
| C | C1 | H12 | 108.9° | 110.2° |
| C1 | C | HC2 | 107.9° | 109.8° |
| C1 | C | HC3 | 108.0° | 109.7° |
| O | C3 | C2 | 120.0° | 120.8° |
| O | C3 | C4 | 120.3° | 119.2° |
| C1 | O1 | C2 | 113.4° | 116.7° |
| O1 | C1 | H11 | 108.9° | 109.7° |
| O1 | C1 | H12 | 108.9° | 109.7° |
| C11 | C10 | C9 | 106.6° | 107.7° |
| C10 | C11 | C8 | 105.7° | 107.3° |
| C11 | C10 | H101 | 126.7° | 126.1° |
| C10 | C11 | H111 | 127.2° | 126.3° |
| C10 | C9 | H91 | 125.8° | 125.8° |
| C9 | C10 | H101 | 126.7° | 126.1° |
| C11 | C8 | C5 | 126.2° | 126.0° |
| C8 | C11 | H111 | 127.1° | 126.4° |
| C3 | C2 | C7 | 120.7° | 120.1° |
| C3 | C2 | O1 | 123.0° | 120.7° |
| C2 | C3 | C4 | 119.7° | 119.9° |
| C7 | C2 | O1 | 116.3° | 119.3° |
| C2 | C7 | C6 | 119.7° | 120.3° |
| C2 | C7 | H71 | 120.1° | 119.9° |
| C3 | C4 | C5 | 118.7° | 120.0° |
| C3 | C4 | H41 | 120.6° | 120.0° |
| C4 | C5 | C6 | 120.6° | 119.8° |
| C4 | C5 | C8 | 126.2° | 120.1° |
| C5 | C4 | H41 | 120.7° | 120.0° |
| C6 | C5 | C8 | 113.2° | 120.1° |
| C5 | C6 | C7 | 120.7° | 120.0° |
| C5 | C6 | H61 | 119.6° | 120.0° |
| C7 | C6 | H61 | 119.6° | 120.0° |
| C6 | C7 | H71 | 120.1° | 119.9° |
| H11 | C1 | H12 | 109.5° | 109.7° |
| HC2 | C | HC3 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N | C9 | H1 | 180.0° | 179.9° |
| N | C8 | C11 | C10 | 2.0° | 0.3° |
| C8 | N | C9 | C10 | 1.5° | 0.2° |
| N | C8 | C11 | C5 | 175.5° | 179.7° |
| N | C8 | C5 | C4 | 98.7° | 0.4° |
| N | C8 | C5 | C6 | 81.0° | 179.6° |
| C8 | N | C9 | H91 | 178.6° | 179.8° |
| N | C8 | C11 | H111 | 178.0° | 179.7° |
| N | C9 | C10 | C11 | 0.2° | 0.0° |
| N | C9 | C10 | H91 | 180.0° | 180.0° |
| C9 | N | C8 | C11 | 2.2° | 0.3° |
| C9 | N | C8 | C5 | 177.8° | 180.0° |
| N | C9 | C10 | H101 | 179.8° | 179.8° |
| O | C | C1 | HC2 | 120.9° | 119.7° |
| O | C | C1 | HC3 | 120.9° | 119.7° |
| O | C | C1 | O1 | 55.0° | 60.1° |
| C | O | C3 | C2 | 8.2° | 16.8° |
| C | O | C3 | C4 | 172.1° | 162.7° |
| O | C | C1 | H11 | 175.3° | 179.6° |
| O | C | C1 | H12 | 65.3° | 59.7° |
| O | C | HC2 | HC3 | 117.3° | 120.6° |
| C1 | C | O | C3 | 34.6° | 46.2° |
| C | C1 | O1 | H11 | 120.3° | 119.3° |
| C | C1 | O1 | H12 | 120.3° | 120.1° |
| C | C1 | O1 | C2 | 44.9° | 46.6° |
| C | C1 | H11 | H12 | 119.0° | 121.0° |
| C1 | C | HC2 | HC3 | 117.3° | 120.6° |
| O | C3 | C2 | C4 | 179.7° | 179.5° |
| O | C3 | C2 | C7 | 179.4° | 179.7° |
| O | C3 | C2 | O1 | 0.2° | 0.1° |
| O | C3 | C4 | C5 | 179.8° | 179.8° |
| O | C3 | C4 | H41 | 0.2° | 0.0° |
| C3 | O | C | HC2 | 86.3° | 166.0° |
| C3 | O | C | HC3 | 155.5° | 73.4° |
| C1 | O1 | C2 | C3 | 20.3° | 17.3° |
| C1 | O1 | C2 | C7 | 159.3° | 162.3° |
| O1 | C1 | H11 | H12 | 119.0° | 120.6° |
| O1 | C1 | C | HC2 | 65.9° | 179.8° |
| O1 | C1 | C | HC3 | 175.9° | 59.5° |
| C11 | C10 | C9 | H101 | 180.0° | 179.7° |
| C10 | C11 | C8 | H111 | 180.0° | 180.0° |
| C10 | C11 | C8 | C5 | 177.5° | 180.0° |
| C11 | C10 | C9 | H91 | 179.8° | 180.0° |
| C9 | C10 | C11 | C8 | 1.1° | 0.2° |
| C9 | C10 | C11 | H111 | 178.9° | 179.8° |
| C10 | C9 | N | H1 | 178.5° | 179.9° |
| C11 | C8 | C5 | C4 | 86.4° | 180.0° |
| C11 | C8 | C5 | C6 | 93.9° | 0.0° |
| C8 | C11 | C10 | H101 | 178.9° | 179.9° |
| C11 | C8 | N | H1 | 177.8° | 179.8° |
| C3 | C2 | C7 | O1 | 179.6° | 179.6° |
| C2 | C3 | C4 | C5 | 0.1° | 0.6° |
| C3 | C2 | C7 | C6 | 0.8° | 0.5° |
| C2 | C3 | C4 | H41 | 179.9° | 179.6° |
| C3 | C2 | C7 | H71 | 179.2° | 179.6° |
| C7 | C2 | C3 | C4 | 0.3° | 0.8° |
| C2 | C7 | C6 | C5 | 0.9° | 0.0° |
| C2 | C7 | C6 | H71 | 180.0° | 180.0° |
| C2 | C7 | C6 | H61 | 179.1° | 180.0° |
| O1 | C2 | C3 | C4 | 179.9° | 179.6° |
| O1 | C2 | C7 | C6 | 179.6° | 179.9° |
| O1 | C2 | C7 | H71 | 0.4° | 0.1° |
| C2 | O1 | C1 | H11 | 165.2° | 165.9° |
| C2 | O1 | C1 | H12 | 75.4° | 73.5° |
| C3 | C4 | C5 | H41 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.0° | 0.2° |
| C3 | C4 | C5 | C8 | 179.7° | 179.8° |
| C4 | C5 | C6 | C8 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 0.5° | 0.1° |
| C4 | C5 | C6 | H61 | 179.5° | 179.9° |
| C5 | C6 | C7 | H61 | 180.0° | 180.0° |
| C6 | C5 | C4 | H41 | 180.0° | 180.0° |
| C5 | C6 | C7 | H71 | 179.1° | 180.0° |
| C8 | C5 | C6 | C7 | 179.7° | 179.9° |
| C8 | C5 | C4 | H41 | 0.3° | 0.0° |
| C8 | C5 | C6 | H61 | 0.3° | 0.1° |
| C5 | C8 | C11 | H111 | 2.5° | 0.0° |
| C5 | C8 | N | H1 | 2.2° | 0.1° |
| H61 | C6 | C7 | H71 | 0.9° | 0.0° |
| H91 | C9 | C10 | H101 | 0.1° | 0.3° |
| H91 | C9 | N | H1 | 1.4° | 0.1° |
| H101 | C10 | C11 | H111 | 1.1° | 0.1° |
| H11 | C1 | C | HC2 | 54.5° | 60.8° |
| H11 | C1 | C | HC3 | 63.8° | 59.9° |
| H12 | C1 | C | HC2 | 173.8° | 59.9° |
| H12 | C1 | C | HC3 | 55.6° | 179.4° |
