YP2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C14 | doub | 1.21Å | 1.25Å | |
| O10 | C5 | doub | 1.21Å | 1.21Å | |
| C12 | C14 | sing | 1.51Å | 1.53Å | |
| C12 | N7 | sing | 1.47Å | 1.46Å | |
| C14 | O17 | sing | 1.34Å | 1.26Å | |
| C5 | N7 | sing | 1.34Å | 1.39Å | |
| C5 | C2 | sing | 1.48Å | 1.48Å | |
| N7 | C3 | sing | 1.34Å | 1.39Å | |
| C2 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.38Å | Aromatic |
| C3 | O8 | doub | 1.21Å | 1.21Å | |
| C3 | C1 | sing | 1.48Å | 1.48Å | |
| C6 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C13 | sing | 1.48Å | 1.52Å | |
| C13 | O15 | doub | 1.21Å | 1.25Å | |
| C13 | O16 | sing | 1.35Å | 1.26Å | |
| C4 | H19 | sing | 1.08Å | 1.08Å | |
| C6 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| O16 | H1 | sing | 0.97Å | 0.95Å | |
| O17 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C14 | C12 | 116.7° | 120.0° |
| O18 | C14 | O17 | 123.9° | 120.0° |
| O10 | C5 | N7 | 124.7° | 125.7° |
| O10 | C5 | C2 | 129.5° | 125.7° |
| C14 | C12 | N7 | 114.1° | 109.5° |
| C12 | C14 | O17 | 119.4° | 120.0° |
| C14 | C12 | H23 | 108.3° | 109.5° |
| C14 | C12 | H22 | 108.3° | 109.5° |
| C12 | N7 | C5 | 123.9° | 124.5° |
| C12 | N7 | C3 | 124.1° | 124.4° |
| N7 | C12 | H23 | 108.3° | 109.5° |
| N7 | C12 | H22 | 108.3° | 109.5° |
| C14 | O17 | H2 | 109.5° | 117.0° |
| N7 | C5 | C2 | 105.8° | 108.6° |
| C5 | N7 | C3 | 111.8° | 111.1° |
| C5 | C2 | C6 | 131.5° | 134.1° |
| C5 | C2 | C1 | 108.3° | 105.8° |
| N7 | C3 | O8 | 124.9° | 125.7° |
| N7 | C3 | C1 | 105.9° | 108.6° |
| C6 | C2 | C1 | 120.2° | 120.1° |
| C2 | C6 | C11 | 119.3° | 119.9° |
| C2 | C6 | H20 | 120.4° | 120.0° |
| C2 | C1 | C3 | 108.2° | 105.9° |
| C2 | C1 | C4 | 121.0° | 120.0° |
| O8 | C3 | C1 | 129.2° | 125.7° |
| C3 | C1 | C4 | 130.7° | 134.1° |
| C6 | C11 | C9 | 121.0° | 120.4° |
| C11 | C6 | H20 | 120.3° | 120.1° |
| C6 | C11 | H21 | 119.5° | 119.8° |
| C1 | C4 | C9 | 119.2° | 119.6° |
| C1 | C4 | H19 | 120.4° | 120.2° |
| C11 | C9 | C4 | 119.1° | 120.1° |
| C11 | C9 | C13 | 120.8° | 119.9° |
| C9 | C11 | H21 | 119.5° | 119.8° |
| C4 | C9 | C13 | 120.0° | 120.0° |
| C9 | C4 | H19 | 120.4° | 120.1° |
| C9 | C13 | O15 | 119.2° | 120.0° |
| C9 | C13 | O16 | 117.6° | 120.0° |
| O15 | C13 | O16 | 123.2° | 120.0° |
| C13 | O16 | H1 | 109.5° | 117.0° |
| H23 | C12 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C14 | C12 | O17 | 178.1° | 179.9° |
| O18 | C14 | C12 | N7 | 172.8° | 0.0° |
| O18 | C14 | C12 | H23 | 66.6° | 120.0° |
| O18 | C14 | C12 | H22 | 52.0° | 120.0° |
| O18 | C14 | O17 | H2 | 0.0° | 0.0° |
| O10 | C5 | N7 | C12 | 1.3° | 0.0° |
| O10 | C5 | N7 | C2 | 177.4° | 180.0° |
| O10 | C5 | N7 | C3 | 175.6° | 180.0° |
| O10 | C5 | C2 | C6 | 0.4° | 0.1° |
| O10 | C5 | C2 | C1 | 176.1° | 180.0° |
| C14 | C12 | N7 | H23 | 120.7° | 120.0° |
| C14 | C12 | N7 | H22 | 120.7° | 120.0° |
| C14 | C12 | N7 | C5 | 104.9° | 90.0° |
| C14 | C12 | N7 | C3 | 81.6° | 90.0° |
| C14 | C12 | H23 | H22 | 117.9° | 120.0° |
| C12 | C14 | O17 | H2 | 178.0° | 180.0° |
| N7 | C12 | C14 | O17 | 9.1° | 180.0° |
| C12 | N7 | C5 | C3 | 174.3° | 180.0° |
| C12 | N7 | C5 | C2 | 176.0° | 180.0° |
| C12 | N7 | C3 | O8 | 1.8° | 0.0° |
| C12 | N7 | C3 | C1 | 176.0° | 180.0° |
| N7 | C12 | H23 | H22 | 117.9° | 120.0° |
| O17 | C14 | C12 | H23 | 111.6° | 60.0° |
| O17 | C14 | C12 | H22 | 129.8° | 60.0° |
| N7 | C5 | C2 | C6 | 177.6° | 180.0° |
| N7 | C5 | C2 | C1 | 1.1° | 0.0° |
| C5 | N7 | C3 | O8 | 176.0° | 180.0° |
| C5 | N7 | C3 | C1 | 1.7° | 0.0° |
| C5 | N7 | C12 | H23 | 15.8° | 30.0° |
| C5 | N7 | C12 | H22 | 134.4° | 150.0° |
| C2 | C5 | N7 | C3 | 1.8° | 0.0° |
| C5 | C2 | C6 | C1 | 176.2° | 179.9° |
| C5 | C2 | C1 | C3 | 0.1° | 0.1° |
| C5 | C2 | C6 | C11 | 174.4° | 179.8° |
| C5 | C2 | C1 | C4 | 177.5° | 180.0° |
| C5 | C2 | C6 | H20 | 5.6° | 0.4° |
| N7 | C3 | C1 | C2 | 1.0° | 0.0° |
| N7 | C3 | O8 | C1 | 177.2° | 180.0° |
| N7 | C3 | C1 | C4 | 178.3° | 180.0° |
| C3 | N7 | C12 | H23 | 157.8° | 150.0° |
| C3 | N7 | C12 | H22 | 39.1° | 30.0° |
| C6 | C2 | C1 | C3 | 177.0° | 180.0° |
| C2 | C6 | C11 | H20 | 180.0° | 179.4° |
| C6 | C2 | C1 | C4 | 0.6° | 0.1° |
| C2 | C6 | C11 | C9 | 0.8° | 0.5° |
| C2 | C6 | C11 | H21 | 179.2° | 179.4° |
| C2 | C1 | C3 | O8 | 176.6° | 179.9° |
| C2 | C1 | C3 | C4 | 177.3° | 179.9° |
| C1 | C2 | C6 | C11 | 1.7° | 0.3° |
| C2 | C1 | C4 | C9 | 3.8° | 0.1° |
| C2 | C1 | C4 | H19 | 176.2° | 179.7° |
| C1 | C2 | C6 | H20 | 178.3° | 179.7° |
| O8 | C3 | C1 | C4 | 0.7° | 0.0° |
| C3 | C1 | C4 | C9 | 173.2° | 180.0° |
| C3 | C1 | C4 | H19 | 6.8° | 0.3° |
| C6 | C11 | C9 | H21 | 180.0° | 179.9° |
| C6 | C11 | C9 | C4 | 2.4° | 0.5° |
| C6 | C11 | C9 | C13 | 179.2° | 179.5° |
| C1 | C4 | C9 | C11 | 4.7° | 0.3° |
| C1 | C4 | C9 | H19 | 180.0° | 179.7° |
| C1 | C4 | C9 | C13 | 176.9° | 179.7° |
| C11 | C9 | C4 | C13 | 178.4° | 180.0° |
| C11 | C9 | C13 | O15 | 4.0° | 180.0° |
| C11 | C9 | C13 | O16 | 177.3° | 0.0° |
| C11 | C9 | C4 | H19 | 175.4° | 179.9° |
| C9 | C11 | C6 | H20 | 179.2° | 179.9° |
| C4 | C9 | C13 | O15 | 174.4° | 0.0° |
| C4 | C9 | C13 | O16 | 4.3° | 180.0° |
| C4 | C9 | C11 | H21 | 177.5° | 179.4° |
| C9 | C13 | O15 | O16 | 178.6° | 180.0° |
| C13 | C9 | C4 | H19 | 3.1° | 0.0° |
| C13 | C9 | C11 | H21 | 0.9° | 0.6° |
| C9 | C13 | O16 | H1 | 178.6° | 180.0° |
| O15 | C13 | O16 | H1 | 0.0° | 0.0° |
| H20 | C6 | C11 | H21 | 0.8° | 0.0° |
