Y0G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.40Å | |
| O | C1 | sing | 1.36Å | 1.38Å | |
| C1 | C2 | doub | 1.39Å | 1.42Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| F | C3 | sing | 1.35Å | 1.34Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.40Å | |
| N | C5 | sing | 1.35Å | 1.41Å | |
| N1 | C5 | sing | 1.35Å | 1.46Å | |
| N1 | C6 | sing | 1.47Å | 1.50Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C7 | N2 | sing | 1.47Å | 1.47Å | |
| N2 | C8 | sing | 1.46Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | N1 | sing | 1.47Å | 1.50Å | |
| C10 | N2 | sing | 1.35Å | 1.41Å | |
| C11 | C10 | sing | 1.47Å | 1.45Å | |
| C11 | O1 | sing | 1.35Å | 1.34Å | Aromatic |
| O1 | C12 | sing | 1.34Å | 1.37Å | Aromatic |
| C12 | C13 | doub | 1.35Å | 1.34Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C11 | doub | 1.37Å | 1.37Å | Aromatic |
| O2 | C10 | doub | 1.22Å | 1.21Å | |
| C5 | O3 | doub | 1.22Å | 1.24Å | |
| C15 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| N | H4 | sing | 0.97Å | 1.00Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 114.2° | 117.0° |
| O | C | H | 109.5° | 109.5° |
| O | C | H1 | 109.5° | 109.4° |
| O | C | H2 | 109.5° | 109.5° |
| O | C1 | C2 | 118.5° | 120.0° |
| O | C1 | C16 | 118.9° | 120.0° |
| C1 | C2 | C3 | 117.4° | 120.0° |
| C2 | C1 | C16 | 122.4° | 120.0° |
| C1 | C2 | H3 | 121.3° | 120.0° |
| C2 | C3 | F | 119.2° | 120.0° |
| C2 | C3 | C4 | 120.7° | 119.9° |
| C3 | C2 | H3 | 121.3° | 120.0° |
| F | C3 | C4 | 120.1° | 120.1° |
| C3 | C4 | N | 118.4° | 120.0° |
| C3 | C4 | C15 | 119.9° | 120.0° |
| C4 | N | C5 | 123.1° | 120.0° |
| N | C4 | C15 | 121.6° | 120.0° |
| C4 | N | H4 | 118.4° | 120.0° |
| N | C5 | N1 | 114.1° | 120.0° |
| N | C5 | O3 | 121.9° | 120.0° |
| C5 | N | H4 | 118.4° | 120.0° |
| C5 | N1 | C6 | 118.4° | 120.6° |
| C5 | N1 | C9 | 119.2° | 120.6° |
| N1 | C5 | O3 | 124.0° | 120.0° |
| N1 | C6 | C7 | 116.4° | 108.7° |
| C6 | N1 | C9 | 117.6° | 118.8° |
| N1 | C6 | H5 | 107.7° | 109.6° |
| N1 | C6 | H6 | 107.7° | 109.6° |
| C6 | C7 | N2 | 109.7° | 108.6° |
| C7 | C6 | H5 | 107.7° | 109.6° |
| C7 | C6 | H6 | 107.7° | 109.6° |
| C6 | C7 | H8 | 109.4° | 109.6° |
| C6 | C7 | H7 | 109.4° | 109.6° |
| C7 | N2 | C8 | 110.8° | 118.7° |
| C7 | N2 | C10 | 119.1° | 120.5° |
| N2 | C7 | H8 | 109.4° | 109.6° |
| N2 | C7 | H7 | 109.4° | 109.6° |
| N2 | C8 | C9 | 106.0° | 108.7° |
| C8 | N2 | C10 | 128.5° | 120.7° |
| N2 | C8 | H9 | 110.3° | 109.7° |
| N2 | C8 | H10 | 110.3° | 109.7° |
| C8 | C9 | N1 | 113.2° | 108.7° |
| C9 | C8 | H9 | 110.3° | 109.6° |
| C9 | C8 | H10 | 110.4° | 109.7° |
| C8 | C9 | H12 | 108.5° | 109.6° |
| C8 | C9 | H11 | 108.5° | 109.6° |
| N1 | C9 | H12 | 108.5° | 109.5° |
| N1 | C9 | H11 | 108.5° | 109.7° |
| N2 | C10 | C11 | 121.4° | 120.0° |
| N2 | C10 | O2 | 120.9° | 120.0° |
| C10 | C11 | O1 | 116.9° | 126.0° |
| C10 | C11 | C14 | 132.0° | 126.0° |
| C11 | C10 | O2 | 117.6° | 120.0° |
| C11 | O1 | C12 | 105.7° | 109.4° |
| O1 | C11 | C14 | 110.9° | 108.0° |
| O1 | C12 | C13 | 111.2° | 108.8° |
| O1 | C12 | H13 | 124.4° | 125.6° |
| C12 | C13 | C14 | 106.2° | 107.1° |
| C12 | C13 | H14 | 126.9° | 126.5° |
| C13 | C12 | H13 | 124.4° | 125.6° |
| C13 | C14 | C11 | 105.9° | 106.7° |
| C14 | C13 | H14 | 126.9° | 126.5° |
| C13 | C14 | H15 | 127.1° | 126.7° |
| C11 | C14 | H15 | 127.0° | 126.6° |
| C4 | C15 | C16 | 120.2° | 120.0° |
| C4 | C15 | H16 | 119.9° | 120.0° |
| C15 | C16 | C1 | 119.4° | 120.1° |
| C16 | C15 | H16 | 119.9° | 120.0° |
| C15 | C16 | H17 | 120.3° | 120.0° |
| C1 | C16 | H17 | 120.3° | 119.9° |
| H5 | C6 | H6 | 109.4° | 109.7° |
| H8 | C7 | H7 | 109.5° | 109.8° |
| H9 | C8 | H10 | 109.5° | 109.6° |
| H | C | H1 | 109.4° | 109.5° |
| H | C | H2 | 109.4° | 109.5° |
| H1 | C | H2 | 109.5° | 109.5° |
| H12 | C9 | H11 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 51.5° | 180.0° |
| C | O | C1 | C16 | 132.4° | 0.3° |
| O | C | H | H1 | 120.0° | 120.0° |
| O | C | H | H2 | 120.0° | 120.0° |
| O | C | H1 | H2 | 120.0° | 120.0° |
| O | C1 | C2 | C16 | 176.0° | 179.8° |
| O | C1 | C2 | C3 | 174.1° | 180.0° |
| O | C1 | C16 | C15 | 173.7° | 180.0° |
| C1 | O | C | H | 180.0° | 180.0° |
| C1 | O | C | H1 | 60.0° | 60.0° |
| C1 | O | C | H2 | 60.0° | 60.0° |
| O | C1 | C16 | H17 | 6.3° | 0.1° |
| O | C1 | C2 | H3 | 5.9° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C1 | C2 | C3 | F | 179.2° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C16 | C15 | 2.3° | 0.2° |
| C2 | C1 | C16 | H17 | 177.7° | 179.7° |
| C2 | C3 | F | C4 | 179.7° | 179.9° |
| C2 | C3 | C4 | N | 173.4° | 179.9° |
| C2 | C3 | C4 | C15 | 2.4° | 0.2° |
| C3 | C2 | C1 | C16 | 1.9° | 0.3° |
| F | C3 | C4 | N | 6.9° | 0.0° |
| F | C3 | C4 | C15 | 177.3° | 179.7° |
| F | C3 | C2 | H3 | 0.8° | 0.0° |
| C3 | C4 | N | C15 | 175.7° | 179.7° |
| C3 | C4 | N | C5 | 97.5° | 161.2° |
| C3 | C4 | C15 | C16 | 2.0° | 0.3° |
| C3 | C4 | C15 | H16 | 178.0° | 179.7° |
| C3 | C4 | N | H4 | 82.5° | 18.9° |
| C4 | C3 | C2 | H3 | 179.5° | 180.0° |
| C4 | N | C5 | H4 | 180.0° | 179.9° |
| C4 | N | C5 | N1 | 165.8° | 175.2° |
| C4 | N | C5 | O3 | 14.0° | 4.9° |
| N | C4 | C15 | C16 | 173.6° | 180.0° |
| N | C4 | C15 | H16 | 6.4° | 0.0° |
| N | C5 | N1 | O3 | 179.8° | 179.9° |
| N | C5 | N1 | C6 | 39.2° | 175.0° |
| N | C5 | N1 | C9 | 166.0° | 5.3° |
| C5 | N | C4 | C15 | 86.9° | 18.5° |
| C5 | N1 | C6 | C9 | 155.2° | 179.7° |
| C5 | N1 | C6 | C7 | 131.1° | 124.8° |
| C5 | N1 | C9 | C8 | 123.0° | 124.8° |
| C5 | N1 | C6 | H5 | 107.9° | 115.5° |
| C5 | N1 | C6 | H6 | 10.1° | 5.0° |
| N1 | C5 | N | H4 | 14.2° | 4.7° |
| C5 | N1 | C9 | H12 | 116.5° | 5.1° |
| C5 | N1 | C9 | H11 | 2.4° | 115.4° |
| N1 | C6 | C7 | H5 | 121.0° | 119.7° |
| N1 | C6 | C7 | H6 | 121.0° | 119.8° |
| N1 | C6 | C7 | N2 | 37.8° | 49.4° |
| C6 | N1 | C9 | C8 | 32.0° | 54.9° |
| C6 | N1 | C5 | O3 | 141.0° | 5.1° |
| N1 | C6 | H5 | H6 | 116.8° | 120.4° |
| N1 | C6 | C7 | H8 | 157.9° | 169.2° |
| N1 | C6 | C7 | H7 | 82.2° | 70.3° |
| C6 | N1 | C9 | H12 | 88.6° | 174.6° |
| C6 | N1 | C9 | H11 | 152.5° | 64.9° |
| C6 | C7 | N2 | H8 | 120.0° | 119.8° |
| C6 | C7 | N2 | H7 | 120.1° | 119.7° |
| C6 | C7 | N2 | C8 | 63.8° | 55.5° |
| C7 | C6 | N1 | C9 | 24.0° | 54.9° |
| C6 | C7 | N2 | C10 | 129.4° | 124.8° |
| C7 | C6 | H5 | H6 | 116.9° | 120.4° |
| C6 | C7 | H8 | H7 | 119.9° | 120.4° |
| C7 | N2 | C8 | C10 | 165.2° | 179.7° |
| C7 | N2 | C8 | C9 | 71.7° | 55.5° |
| C7 | N2 | C10 | C11 | 160.8° | 4.8° |
| C7 | N2 | C10 | O2 | 15.6° | 175.2° |
| N2 | C7 | C6 | H5 | 83.2° | 70.4° |
| N2 | C7 | C6 | H6 | 158.9° | 169.1° |
| N2 | C7 | H8 | H7 | 119.9° | 120.4° |
| C7 | N2 | C8 | H9 | 168.9° | 64.2° |
| C7 | N2 | C8 | H10 | 47.8° | 175.3° |
| N2 | C8 | C9 | H9 | 119.4° | 119.8° |
| N2 | C8 | C9 | H10 | 119.4° | 119.8° |
| N2 | C8 | C9 | N1 | 53.6° | 49.5° |
| C8 | N2 | C10 | C11 | 35.1° | 175.4° |
| C8 | N2 | C10 | O2 | 148.6° | 4.6° |
| C8 | N2 | C7 | H8 | 176.1° | 175.2° |
| C8 | N2 | C7 | H7 | 56.2° | 64.2° |
| N2 | C8 | H9 | H10 | 121.6° | 120.4° |
| N2 | C8 | C9 | H12 | 66.9° | 169.2° |
| N2 | C8 | C9 | H11 | 174.2° | 70.4° |
| C8 | C9 | N1 | H12 | 120.6° | 119.7° |
| C8 | C9 | N1 | H11 | 120.6° | 119.8° |
| C9 | C8 | N2 | C10 | 123.1° | 124.8° |
| C9 | C8 | H9 | H10 | 121.6° | 120.4° |
| C8 | C9 | H12 | H11 | 118.3° | 120.4° |
| C9 | N1 | C5 | O3 | 13.8° | 174.6° |
| C9 | N1 | C6 | H5 | 97.0° | 64.8° |
| C9 | N1 | C6 | H6 | 145.1° | 174.7° |
| N1 | C9 | C8 | H9 | 173.0° | 70.3° |
| N1 | C9 | C8 | H10 | 65.8° | 169.3° |
| N1 | C9 | H12 | H11 | 118.3° | 120.5° |
| N2 | C10 | C11 | O2 | 176.5° | 180.0° |
| N2 | C10 | C11 | O1 | 4.2° | 5.9° |
| N2 | C10 | C11 | C14 | 179.7° | 173.5° |
| C10 | N2 | C7 | H8 | 9.3° | 5.0° |
| C10 | N2 | C7 | H7 | 110.6° | 115.5° |
| C10 | N2 | C8 | H9 | 3.7° | 115.5° |
| C10 | N2 | C8 | H10 | 117.4° | 4.9° |
| C10 | C11 | O1 | C14 | 176.9° | 179.5° |
| C10 | C11 | O1 | C12 | 176.4° | 180.0° |
| C10 | C11 | C14 | C13 | 175.7° | 180.0° |
| C10 | C11 | C14 | H15 | 4.3° | 0.0° |
| C11 | O1 | C12 | C13 | 0.3° | 0.3° |
| O1 | C11 | C14 | C13 | 0.6° | 0.4° |
| O1 | C11 | C10 | O2 | 172.3° | 174.0° |
| C11 | O1 | C12 | H13 | 179.7° | 179.7° |
| O1 | C11 | C14 | H15 | 179.4° | 179.6° |
| O1 | C12 | C13 | H13 | 180.0° | 180.0° |
| O1 | C12 | C13 | C14 | 0.1° | 0.0° |
| C12 | O1 | C11 | C14 | 0.5° | 0.5° |
| O1 | C12 | C13 | H14 | 179.9° | 179.8° |
| C12 | C13 | C14 | H14 | 180.0° | 179.8° |
| C12 | C13 | C14 | C11 | 0.4° | 0.3° |
| C12 | C13 | C14 | H15 | 179.6° | 179.7° |
| C13 | C14 | C11 | H15 | 180.0° | 180.0° |
| C14 | C13 | C12 | H13 | 179.9° | 179.9° |
| C14 | C11 | C10 | O2 | 3.8° | 6.5° |
| C11 | C14 | C13 | H14 | 179.6° | 179.9° |
| O3 | C5 | N | H4 | 166.0° | 175.2° |
| C4 | C15 | C16 | H16 | 180.0° | 180.0° |
| C4 | C15 | C16 | C1 | 0.3° | 0.1° |
| C15 | C4 | N | H4 | 93.2° | 161.4° |
| C4 | C15 | C16 | H17 | 179.7° | 180.0° |
| C15 | C16 | C1 | H17 | 180.0° | 179.9° |
| C1 | C16 | C15 | H16 | 179.7° | 180.0° |
| C16 | C1 | C2 | H3 | 178.1° | 179.7° |
| H5 | C6 | C7 | H8 | 36.9° | 49.4° |
| H5 | C6 | C7 | H7 | 156.8° | 170.0° |
| H6 | C6 | C7 | H8 | 81.1° | 71.1° |
| H6 | C6 | C7 | H7 | 38.8° | 49.5° |
| H9 | C8 | C9 | H12 | 52.5° | 49.4° |
| H9 | C8 | C9 | H11 | 66.4° | 169.8° |
| H10 | C8 | C9 | H12 | 173.6° | 71.0° |
| H10 | C8 | C9 | H11 | 54.7° | 49.5° |
| H14 | C13 | C12 | H13 | 0.1° | 0.2° |
| H14 | C13 | C14 | H15 | 0.4° | 0.1° |
| H16 | C15 | C16 | H17 | 0.3° | 0.0° |
| H | C | H1 | H2 | 119.9° | 120.0° |
