Y29
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.38Å | 1.42Å | |
| N1 | C3 | sing | 1.35Å | 1.44Å | |
| N1 | C18 | sing | 1.46Å | 1.51Å | |
| C2 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | N6 | sing | 1.33Å | 1.32Å | Aromatic |
| C3 | O29 | doub | 1.22Å | 1.25Å | |
| C3 | N24 | sing | 1.35Å | 1.42Å | |
| C5 | N24 | sing | 1.39Å | 1.44Å | |
| C5 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N24 | C25 | sing | 1.46Å | 1.50Å | |
| N6 | C7 | doub | 1.32Å | 1.32Å | Aromatic |
| C7 | N9 | sing | 1.32Å | 1.36Å | Aromatic |
| C7 | N15 | sing | 1.39Å | 1.41Å | |
| CL8 | C16 | sing | 1.74Å | 1.76Å | |
| N9 | C10 | doub | 1.33Å | 1.32Å | Aromatic |
| N15 | C26 | sing | 1.40Å | 1.45Å | |
| C16 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| C26 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | H36 | sing | 1.08Å | 1.08Å | |
| C20 | H45 | sing | 1.08Å | 1.08Å | |
| C21 | H46 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| N15 | H40 | sing | 0.97Å | 1.00Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H55 | sing | 1.08Å | 1.08Å | |
| C29 | H56 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 105.3° | 108.6° |
| C2 | N1 | C18 | 125.3° | 125.7° |
| N1 | C2 | C5 | 109.5° | 106.8° |
| N1 | C2 | N6 | 124.6° | 134.1° |
| C3 | N1 | C18 | 129.4° | 125.7° |
| N1 | C3 | O29 | 126.8° | 125.1° |
| N1 | C3 | N24 | 110.6° | 109.7° |
| N1 | C18 | H19 | 109.5° | 109.5° |
| N1 | C18 | H20 | 109.5° | 109.5° |
| N1 | C18 | H18 | 109.4° | 109.4° |
| C5 | C2 | N6 | 125.9° | 119.1° |
| C2 | C5 | N24 | 109.8° | 106.8° |
| C2 | C5 | C10 | 120.6° | 118.7° |
| C2 | N6 | C7 | 110.3° | 120.4° |
| O29 | C3 | N24 | 122.6° | 125.2° |
| C3 | N24 | C5 | 104.9° | 108.1° |
| C3 | N24 | C25 | 125.5° | 125.9° |
| N24 | C5 | C10 | 129.5° | 134.5° |
| C5 | N24 | C25 | 129.6° | 126.0° |
| C5 | C10 | N9 | 112.6° | 118.8° |
| C5 | C10 | H36 | 123.7° | 120.6° |
| N24 | C25 | H25 | 109.5° | 109.5° |
| N24 | C25 | H26 | 109.4° | 109.5° |
| N24 | C25 | H27 | 109.5° | 109.5° |
| N6 | C7 | N9 | 127.0° | 122.0° |
| N6 | C7 | N15 | 115.6° | 119.0° |
| N9 | C7 | N15 | 117.4° | 119.0° |
| C7 | N9 | C10 | 123.5° | 121.0° |
| C7 | N15 | C26 | 132.3° | 120.0° |
| C7 | N15 | H40 | 113.8° | 120.0° |
| CL8 | C16 | C20 | 122.6° | 120.0° |
| CL8 | C16 | C21 | 114.5° | 119.9° |
| N9 | C10 | H36 | 123.7° | 120.6° |
| N15 | C26 | C28 | 124.6° | 120.1° |
| N15 | C26 | C29 | 113.1° | 120.0° |
| C26 | N15 | H40 | 113.8° | 120.0° |
| C20 | C16 | C21 | 122.9° | 120.1° |
| C16 | C20 | C28 | 119.9° | 120.1° |
| C16 | C20 | H45 | 120.1° | 119.9° |
| C16 | C21 | C29 | 117.0° | 120.0° |
| C16 | C21 | H46 | 121.5° | 120.0° |
| C20 | C28 | C26 | 116.7° | 119.9° |
| C28 | C20 | H45 | 120.1° | 120.0° |
| C20 | C28 | H55 | 121.6° | 120.1° |
| C21 | C29 | C26 | 121.2° | 120.0° |
| C29 | C21 | H46 | 121.5° | 120.0° |
| C21 | C29 | H56 | 119.4° | 120.0° |
| C28 | C26 | C29 | 122.3° | 119.9° |
| C26 | C28 | H55 | 121.6° | 120.0° |
| C26 | C29 | H56 | 119.4° | 120.0° |
| H25 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H27 | 109.5° | 109.5° |
| H26 | C25 | H27 | 109.5° | 109.4° |
| H19 | C18 | H20 | 109.4° | 109.5° |
| H19 | C18 | H18 | 109.5° | 109.4° |
| H20 | C18 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | C18 | 179.1° | 179.6° |
| N1 | C2 | C5 | N6 | 178.8° | 180.0° |
| C2 | N1 | C3 | O29 | 177.6° | 180.0° |
| C2 | N1 | C3 | N24 | 0.1° | 0.6° |
| N1 | C2 | C5 | N24 | 0.3° | 0.0° |
| N1 | C2 | C5 | C10 | 177.0° | 179.7° |
| N1 | C2 | N6 | C7 | 178.6° | 180.0° |
| C2 | N1 | C18 | H19 | 180.0° | 89.9° |
| C2 | N1 | C18 | H20 | 60.0° | 150.0° |
| C2 | N1 | C18 | H18 | 60.0° | 30.0° |
| C3 | N1 | C2 | C5 | 0.3° | 0.4° |
| C3 | N1 | C2 | N6 | 179.1° | 179.7° |
| N1 | C3 | O29 | N24 | 177.4° | 179.3° |
| N1 | C3 | N24 | C5 | 0.1° | 0.5° |
| N1 | C3 | N24 | C25 | 179.9° | 179.5° |
| C3 | N1 | C18 | H19 | 1.1° | 89.7° |
| C3 | N1 | C18 | H20 | 121.1° | 30.4° |
| C3 | N1 | C18 | H18 | 118.9° | 150.4° |
| C18 | N1 | C2 | C5 | 179.4° | 180.0° |
| C18 | N1 | C2 | N6 | 1.7° | 0.0° |
| C18 | N1 | C3 | O29 | 1.5° | 0.4° |
| C18 | N1 | C3 | N24 | 179.2° | 179.8° |
| N1 | C18 | H19 | H20 | 120.0° | 120.1° |
| N1 | C18 | H19 | H18 | 120.0° | 119.9° |
| N1 | C18 | H20 | H18 | 120.0° | 120.0° |
| C2 | C5 | N24 | C3 | 0.2° | 0.3° |
| C2 | C5 | N24 | C10 | 177.0° | 179.7° |
| C2 | C5 | N24 | C25 | 179.9° | 179.7° |
| C5 | C2 | N6 | C7 | 0.1° | 0.0° |
| C2 | C5 | C10 | N9 | 1.4° | 0.3° |
| C2 | C5 | C10 | H36 | 178.6° | 179.7° |
| N6 | C2 | C5 | N24 | 179.2° | 180.0° |
| N6 | C2 | C5 | C10 | 1.8° | 0.2° |
| C2 | N6 | C7 | N9 | 2.0° | 0.2° |
| C2 | N6 | C7 | N15 | 177.8° | 180.0° |
| O29 | C3 | N24 | C5 | 177.9° | 180.0° |
| O29 | C3 | N24 | C25 | 2.3° | 0.1° |
| C3 | N24 | C5 | C25 | 179.8° | 180.0° |
| C3 | N24 | C5 | C10 | 176.8° | 180.0° |
| C3 | N24 | C25 | H25 | 180.0° | 90.1° |
| C3 | N24 | C25 | H26 | 60.0° | 30.0° |
| C3 | N24 | C25 | H27 | 60.0° | 149.9° |
| N24 | C5 | C10 | N9 | 178.2° | 180.0° |
| N24 | C5 | C10 | H36 | 1.8° | 0.0° |
| C5 | N24 | C25 | H25 | 0.2° | 90.0° |
| C5 | N24 | C25 | H26 | 119.8° | 150.0° |
| C5 | N24 | C25 | H27 | 120.2° | 30.0° |
| C10 | C5 | N24 | C25 | 3.1° | 0.0° |
| C5 | C10 | N9 | C7 | 0.5° | 0.2° |
| C5 | C10 | N9 | H36 | 180.0° | 180.0° |
| N24 | C25 | H25 | H26 | 120.0° | 120.1° |
| N24 | C25 | H25 | H27 | 120.0° | 120.0° |
| N24 | C25 | H26 | H27 | 120.0° | 120.0° |
| N6 | C7 | N9 | N15 | 179.7° | 179.8° |
| N6 | C7 | N9 | C10 | 2.4° | 0.1° |
| N6 | C7 | N15 | C26 | 14.0° | 174.5° |
| N6 | C7 | N15 | H40 | 166.0° | 5.5° |
| N9 | C7 | N15 | C26 | 166.2° | 5.3° |
| C7 | N9 | C10 | H36 | 179.5° | 179.8° |
| N9 | C7 | N15 | H40 | 13.8° | 174.6° |
| N15 | C7 | N9 | C10 | 177.3° | 179.9° |
| C7 | N15 | C26 | H40 | 180.0° | 180.0° |
| C7 | N15 | C26 | C28 | 9.6° | 146.5° |
| C7 | N15 | C26 | C29 | 171.7° | 34.1° |
| CL8 | C16 | C20 | C21 | 178.3° | 180.0° |
| CL8 | C16 | C20 | C28 | 179.3° | 180.0° |
| CL8 | C16 | C21 | C29 | 179.3° | 180.0° |
| CL8 | C16 | C20 | H45 | 0.7° | 0.3° |
| CL8 | C16 | C21 | H46 | 0.7° | 0.2° |
| N15 | C26 | C28 | C20 | 178.0° | 180.0° |
| N15 | C26 | C29 | C21 | 179.5° | 180.0° |
| N15 | C26 | C28 | C29 | 178.6° | 179.5° |
| N15 | C26 | C28 | H55 | 2.0° | 0.0° |
| N15 | C26 | C29 | H56 | 0.5° | 0.1° |
| C16 | C20 | C28 | H45 | 180.0° | 179.7° |
| C20 | C16 | C21 | C29 | 2.3° | 0.0° |
| C16 | C20 | C28 | C26 | 0.4° | 0.3° |
| C20 | C16 | C21 | H46 | 177.7° | 179.8° |
| C16 | C20 | C28 | H55 | 179.5° | 179.7° |
| C21 | C16 | C20 | C28 | 1.0° | 0.0° |
| C16 | C21 | C29 | H46 | 180.0° | 179.8° |
| C16 | C21 | C29 | C26 | 2.1° | 0.3° |
| C21 | C16 | C20 | H45 | 178.9° | 179.7° |
| C16 | C21 | C29 | H56 | 177.9° | 179.8° |
| C20 | C28 | C26 | H55 | 180.0° | 180.0° |
| C20 | C28 | C26 | C29 | 0.6° | 0.5° |
| C21 | C29 | C26 | C28 | 0.7° | 0.5° |
| C21 | C29 | C26 | H56 | 180.0° | 179.9° |
| C26 | C28 | C20 | H45 | 179.6° | 180.0° |
| C28 | C26 | N15 | H40 | 170.4° | 33.5° |
| C28 | C26 | C29 | H56 | 179.3° | 179.5° |
| C26 | C29 | C21 | H46 | 177.9° | 180.0° |
| C29 | C26 | N15 | H40 | 8.3° | 146.0° |
| C29 | C26 | C28 | H55 | 179.4° | 179.5° |
| H45 | C20 | C28 | H55 | 0.4° | 0.0° |
| H46 | C21 | C29 | H56 | 2.1° | 0.0° |
| H25 | C25 | H26 | H27 | 120.0° | 120.0° |
| H19 | C18 | H20 | H18 | 120.0° | 120.0° |
