GY3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | O1 | sing | 1.41Å | 1.47Å | |
| O1 | C10 | sing | 1.41Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N4 | C3 | sing | 1.48Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C5 | N4 | sing | 1.34Å | 1.33Å | |
| N4 | N8 | sing | 1.41Å | 1.25Å | |
| O11 | C5 | doub | 1.21Å | 1.23Å | |
| C6 | C5 | sing | 1.51Å | 1.38Å | |
| C19 | C6 | sing | 1.51Å | 1.39Å | |
| C6 | C7 | sing | 1.52Å | 1.37Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O12 | C7 | doub | 1.21Å | 1.36Å | |
| C7 | N8 | sing | 1.34Å | 1.34Å | |
| N8 | C9 | sing | 1.48Å | 1.49Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C24 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C28 | sing | 1.51Å | 1.54Å | |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | C22 | sing | 1.51Å | 1.54Å | |
| C23 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | C24 | sing | 1.48Å | 1.57Å | |
| C26 | C25 | doub | 1.33Å | 1.55Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H26A | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C10 | 110.0° | 119.9° |
| O1 | C2 | C3 | 110.3° | 111.3° |
| O1 | C2 | H2 | 109.2° | 109.1° |
| O1 | C2 | H2A | 109.2° | 109.1° |
| O1 | C10 | C9 | 107.6° | 111.3° |
| O1 | C10 | H10 | 110.1° | 109.1° |
| O1 | C10 | H10A | 110.1° | 109.1° |
| C3 | C2 | H2 | 109.2° | 109.1° |
| C3 | C2 | H2A | 109.2° | 109.1° |
| C2 | C3 | N4 | 110.1° | 107.7° |
| C2 | C3 | H3 | 109.2° | 109.8° |
| C2 | C3 | H3A | 109.3° | 109.9° |
| H2 | C2 | H2A | 109.8° | 109.2° |
| N4 | C3 | H3 | 109.3° | 109.8° |
| N4 | C3 | H3A | 109.2° | 109.9° |
| C3 | N4 | C5 | 118.9° | 126.7° |
| C3 | N4 | N8 | 131.0° | 121.9° |
| H3 | C3 | H3A | 109.7° | 109.8° |
| C5 | N4 | N8 | 110.2° | 111.4° |
| N4 | C5 | O11 | 125.0° | 126.7° |
| N4 | C5 | C6 | 107.8° | 106.6° |
| N4 | N8 | C7 | 110.0° | 111.4° |
| N4 | N8 | C9 | 130.4° | 121.9° |
| O11 | C5 | C6 | 126.7° | 126.7° |
| C5 | C6 | C19 | 129.1° | 110.5° |
| C5 | C6 | C7 | 104.3° | 104.0° |
| C5 | C6 | H6 | 113.5° | 110.5° |
| C19 | C6 | C7 | 125.1° | 110.5° |
| C19 | C6 | H6 | 47.7° | 110.6° |
| C6 | C19 | C24 | 119.8° | 120.1° |
| C6 | C19 | C20 | 118.0° | 120.1° |
| C7 | C6 | H6 | 125.5° | 110.5° |
| C6 | C7 | O12 | 124.7° | 126.7° |
| C6 | C7 | N8 | 107.5° | 106.6° |
| O12 | C7 | N8 | 127.5° | 126.8° |
| C7 | N8 | C9 | 119.3° | 126.7° |
| N8 | C9 | C10 | 114.1° | 107.7° |
| N8 | C9 | H9 | 107.9° | 109.8° |
| N8 | C9 | H9A | 107.9° | 109.8° |
| C10 | C9 | H9 | 108.0° | 109.8° |
| C10 | C9 | H9A | 108.0° | 109.8° |
| C9 | C10 | H10 | 110.1° | 109.1° |
| C9 | C10 | H10A | 110.1° | 109.2° |
| H9 | C9 | H9A | 110.9° | 109.9° |
| H10 | C10 | H10A | 108.9° | 109.0° |
| C24 | C19 | C20 | 121.7° | 119.9° |
| C19 | C24 | C23 | 117.5° | 119.7° |
| C19 | C24 | C25 | 124.3° | 120.1° |
| C19 | C20 | C21 | 118.8° | 120.1° |
| C19 | C20 | C28 | 123.4° | 119.9° |
| C21 | C20 | C28 | 117.8° | 120.0° |
| C20 | C21 | C22 | 121.2° | 120.3° |
| C20 | C21 | H21 | 119.4° | 119.9° |
| C20 | C28 | C29 | 110.6° | 109.5° |
| C20 | C28 | H28 | 109.1° | 109.5° |
| C20 | C28 | H28A | 109.1° | 109.5° |
| C22 | C21 | H21 | 119.4° | 119.8° |
| C21 | C22 | C27 | 118.4° | 120.0° |
| C21 | C22 | C23 | 119.5° | 120.1° |
| C27 | C22 | C23 | 122.1° | 119.9° |
| C22 | C27 | H27 | 109.5° | 109.5° |
| C22 | C27 | H27A | 109.4° | 109.5° |
| C22 | C27 | H27B | 109.5° | 109.5° |
| C22 | C23 | C24 | 121.2° | 119.8° |
| C22 | C23 | H23 | 119.4° | 120.1° |
| C24 | C23 | H23 | 119.4° | 120.1° |
| C23 | C24 | C25 | 118.2° | 120.2° |
| C24 | C25 | C26 | 115.1° | 120.0° |
| C24 | C25 | H25 | 122.4° | 120.0° |
| C26 | C25 | H25 | 122.4° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C25 | C26 | H26A | 120.0° | 120.0° |
| H26 | C26 | H26A | 120.0° | 120.0° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.4° | 109.4° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| C29 | C28 | H28 | 109.1° | 109.4° |
| C29 | C28 | H28A | 109.1° | 109.4° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H29A | 109.5° | 109.5° |
| C28 | C29 | H29B | 109.4° | 109.5° |
| H28 | C28 | H28A | 109.8° | 109.5° |
| H29 | C29 | H29A | 109.4° | 109.4° |
| H29 | C29 | H29B | 109.5° | 109.4° |
| H29A | C29 | H29B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | H2 | 120.0° | 120.5° |
| O1 | C2 | C3 | H2A | 120.0° | 120.4° |
| O1 | C2 | H2 | H2A | 119.7° | 119.1° |
| O1 | C2 | C3 | N4 | 70.8° | 80.7° |
| O1 | C2 | C3 | H3 | 49.2° | 159.8° |
| O1 | C2 | C3 | H3A | 169.2° | 38.9° |
| C2 | O1 | C10 | C9 | 86.6° | 72.2° |
| C2 | O1 | C10 | H10 | 33.3° | 167.3° |
| C2 | O1 | C10 | H10A | 153.4° | 48.3° |
| C10 | O1 | C2 | C3 | 93.3° | 72.2° |
| C10 | O1 | C2 | H2 | 146.7° | 48.3° |
| C10 | O1 | C2 | H2A | 26.6° | 167.4° |
| O1 | C10 | C9 | N8 | 67.3° | 80.7° |
| O1 | C10 | C9 | H10 | 120.0° | 120.4° |
| O1 | C10 | C9 | H10A | 120.0° | 120.6° |
| O1 | C10 | C9 | H9 | 52.7° | 159.8° |
| O1 | C10 | C9 | H9A | 172.7° | 38.8° |
| O1 | C10 | H10 | H10A | 120.8° | 119.1° |
| C3 | C2 | H2 | H2A | 119.6° | 119.1° |
| C2 | C3 | N4 | H3 | 120.0° | 119.6° |
| C2 | C3 | N4 | H3A | 120.0° | 119.6° |
| C2 | C3 | H3 | H3A | 119.7° | 120.9° |
| C2 | C3 | N4 | C5 | 140.4° | 114.3° |
| C2 | C3 | N4 | N8 | 39.4° | 65.7° |
| H2 | C2 | C3 | N4 | 169.2° | 39.8° |
| H2 | C2 | C3 | H3 | 70.8° | 79.8° |
| H2 | C2 | C3 | H3A | 49.2° | 159.4° |
| H2A | C2 | C3 | N4 | 49.2° | 159.0° |
| H2A | C2 | C3 | H3 | 169.2° | 39.4° |
| H2A | C2 | C3 | H3A | 70.8° | 81.4° |
| N4 | C3 | H3 | H3A | 119.7° | 120.9° |
| C3 | N4 | C5 | N8 | 179.8° | 180.0° |
| C3 | N4 | C5 | O11 | 5.4° | 0.0° |
| C3 | N4 | C5 | C6 | 177.8° | 180.0° |
| C3 | N4 | N8 | C7 | 179.0° | 180.0° |
| C3 | N4 | N8 | C9 | 5.8° | 0.0° |
| H3 | C3 | N4 | C5 | 99.6° | 5.2° |
| H3 | C3 | N4 | N8 | 80.6° | 174.7° |
| H3A | C3 | N4 | C5 | 20.4° | 126.1° |
| H3A | C3 | N4 | N8 | 159.4° | 53.9° |
| N4 | C5 | O11 | C6 | 170.9° | 180.0° |
| N4 | C5 | C6 | C19 | 170.8° | 118.6° |
| N4 | C5 | C6 | C7 | 4.3° | 0.0° |
| N4 | C5 | C6 | H6 | 135.5° | 118.6° |
| C5 | N4 | N8 | C7 | 1.3° | 0.0° |
| C5 | N4 | N8 | C9 | 174.5° | 180.0° |
| N8 | N4 | C5 | O11 | 174.3° | 180.0° |
| N8 | N4 | C5 | C6 | 2.0° | 0.0° |
| N4 | N8 | C7 | C6 | 4.0° | 0.0° |
| N4 | N8 | C7 | O12 | 177.5° | 180.0° |
| N4 | N8 | C7 | C9 | 174.1° | 180.0° |
| N4 | N8 | C9 | C10 | 46.8° | 65.7° |
| N4 | N8 | C9 | H9 | 73.3° | 174.8° |
| N4 | N8 | C9 | H9A | 166.8° | 53.9° |
| O11 | C5 | C6 | C19 | 17.0° | 61.3° |
| O11 | C5 | C6 | C7 | 176.5° | 180.0° |
| O11 | C5 | C6 | H6 | 36.6° | 61.4° |
| C5 | C6 | C19 | C7 | 164.0° | 114.6° |
| C5 | C6 | C19 | H6 | 87.4° | 122.7° |
| C5 | C6 | C7 | H6 | 133.4° | 118.6° |
| C5 | C6 | C7 | O12 | 178.6° | 180.0° |
| C5 | C6 | C7 | N8 | 5.0° | 0.0° |
| C5 | C6 | C19 | C24 | 56.4° | 61.5° |
| C5 | C6 | C19 | C20 | 131.9° | 118.8° |
| C19 | C6 | C7 | H6 | 59.4° | 122.7° |
| C19 | C6 | C7 | O12 | 14.2° | 61.4° |
| C19 | C6 | C7 | N8 | 172.2° | 118.6° |
| C6 | C19 | C24 | C20 | 171.4° | 179.7° |
| C6 | C19 | C20 | C21 | 174.8° | 180.0° |
| C6 | C19 | C20 | C28 | 6.4° | 0.0° |
| C6 | C19 | C24 | C23 | 174.6° | 179.7° |
| C6 | C19 | C24 | C25 | 6.0° | 0.3° |
| C6 | C7 | O12 | N8 | 172.3° | 180.0° |
| C6 | C7 | N8 | C9 | 178.1° | 180.0° |
| C7 | C6 | C19 | C24 | 107.6° | 53.1° |
| C7 | C6 | C19 | C20 | 64.1° | 126.6° |
| H6 | C6 | C7 | O12 | 45.2° | 61.4° |
| H6 | C6 | C7 | N8 | 128.4° | 118.6° |
| H6 | C6 | C19 | C24 | 143.8° | 175.8° |
| H6 | C6 | C19 | C20 | 44.5° | 3.9° |
| O12 | C7 | N8 | C9 | 8.5° | 0.0° |
| C7 | N8 | C9 | C10 | 140.6° | 114.3° |
| C7 | N8 | C9 | H9 | 99.4° | 5.2° |
| C7 | N8 | C9 | H9A | 20.6° | 126.1° |
| N8 | C9 | C10 | H9 | 120.0° | 119.5° |
| N8 | C9 | C10 | H9A | 120.0° | 119.5° |
| N8 | C9 | H9 | H9A | 118.1° | 120.9° |
| N8 | C9 | C10 | H10 | 52.6° | 158.9° |
| N8 | C9 | C10 | H10A | 172.7° | 39.9° |
| C10 | C9 | H9 | H9A | 118.1° | 120.9° |
| C9 | C10 | H10 | H10A | 120.8° | 119.1° |
| H9 | C9 | C10 | H10 | 172.6° | 39.4° |
| H9 | C9 | C10 | H10A | 67.3° | 79.6° |
| H9A | C9 | C10 | H10 | 67.3° | 81.6° |
| H9A | C9 | C10 | H10A | 52.7° | 159.4° |
| C24 | C19 | C20 | C21 | 3.3° | 0.3° |
| C24 | C19 | C20 | C28 | 178.0° | 179.8° |
| C19 | C24 | C23 | C22 | 0.3° | 0.6° |
| C19 | C24 | C23 | C25 | 179.4° | 179.4° |
| C19 | C24 | C23 | H23 | 179.7° | 179.7° |
| C19 | C24 | C25 | C26 | 119.9° | 164.6° |
| C19 | C24 | C25 | H25 | 60.1° | 15.4° |
| C19 | C20 | C21 | C28 | 178.8° | 179.9° |
| C19 | C20 | C21 | C22 | 0.3° | 0.0° |
| C19 | C20 | C21 | H21 | 179.7° | 180.0° |
| C20 | C19 | C24 | C23 | 3.2° | 0.6° |
| C20 | C19 | C24 | C25 | 177.4° | 180.0° |
| C19 | C20 | C28 | C29 | 73.4° | 85.0° |
| C19 | C20 | C28 | H28 | 46.6° | 155.0° |
| C19 | C20 | C28 | H28A | 166.6° | 35.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C27 | 177.4° | 180.0° |
| C20 | C21 | C22 | C23 | 2.5° | 0.1° |
| C21 | C20 | C28 | C29 | 105.3° | 95.0° |
| C21 | C20 | C28 | H28 | 134.6° | 24.9° |
| C21 | C20 | C28 | H28A | 14.6° | 145.0° |
| C28 | C20 | C21 | C22 | 179.1° | 180.0° |
| C28 | C20 | C21 | H21 | 0.9° | 0.0° |
| C20 | C28 | C29 | H28 | 120.0° | 120.0° |
| C20 | C28 | C29 | H28A | 120.0° | 120.1° |
| C20 | C28 | H28 | H28A | 119.6° | 120.1° |
| C20 | C28 | C29 | H29 | 180.0° | 60.0° |
| C20 | C28 | C29 | H29A | 60.0° | 60.0° |
| C20 | C28 | C29 | H29B | 60.0° | 180.0° |
| C21 | C22 | C27 | C23 | 179.9° | 179.9° |
| C21 | C22 | C23 | C24 | 2.6° | 0.4° |
| C21 | C22 | C23 | H23 | 177.4° | 179.9° |
| C21 | C22 | C27 | H27 | 90.0° | 90.0° |
| C21 | C22 | C27 | H27A | 150.0° | 150.0° |
| C21 | C22 | C27 | H27B | 30.0° | 29.9° |
| H21 | C21 | C22 | C27 | 2.6° | 0.0° |
| H21 | C21 | C22 | C23 | 177.4° | 179.9° |
| C27 | C22 | C23 | C24 | 177.4° | 179.7° |
| C27 | C22 | C23 | H23 | 2.6° | 0.0° |
| C22 | C27 | H27 | H27A | 120.0° | 120.0° |
| C22 | C27 | H27 | H27B | 120.0° | 120.0° |
| C22 | C27 | H27A | H27B | 120.0° | 120.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 179.7° | 179.9° |
| C23 | C22 | C27 | H27 | 90.0° | 90.1° |
| C23 | C22 | C27 | H27A | 29.9° | 29.9° |
| C23 | C22 | C27 | H27B | 150.0° | 150.0° |
| C23 | C24 | C25 | C26 | 59.5° | 15.9° |
| C23 | C24 | C25 | H25 | 120.6° | 164.0° |
| H23 | C23 | C24 | C25 | 0.3° | 0.3° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26A | 0.0° | 0.0° |
| C25 | C26 | H26 | H26A | 180.0° | 180.0° |
| H25 | C25 | C26 | H26 | 0.0° | 0.0° |
| H25 | C25 | C26 | H26A | 180.0° | NaN° |
| H27 | C27 | H27A | H27B | 120.0° | 119.9° |
| C29 | C28 | H28 | H28A | 119.5° | 119.9° |
| C28 | C29 | H29 | H29A | 120.0° | 120.0° |
| C28 | C29 | H29 | H29B | 120.0° | 120.1° |
| C28 | C29 | H29A | H29B | 120.0° | 120.0° |
| H28 | C28 | C29 | H29 | 60.0° | 180.0° |
| H28 | C28 | C29 | H29A | 180.0° | 60.0° |
| H28 | C28 | C29 | H29B | 60.0° | 60.0° |
| H28A | C28 | C29 | H29 | 60.0° | 60.0° |
| H28A | C28 | C29 | H29A | 60.0° | 179.9° |
| H28A | C28 | C29 | H29B | 180.0° | 60.0° |
| H29 | C29 | H29A | H29B | 120.0° | 119.9° |
