Y1P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.43Å | 1.41Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | N | sing | 1.47Å | 1.45Å | |
| N | C3 | sing | 1.35Å | 1.35Å | |
| O1 | C3 | doub | 1.22Å | 1.22Å | |
| C3 | N1 | sing | 1.35Å | 1.36Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| N2 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | O2 | doub | 1.22Å | 1.22Å | |
| C7 | C6 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | doub | 1.37Å | 1.35Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | C10 | doub | 1.35Å | 1.29Å | Aromatic |
| C10 | O3 | sing | 1.34Å | 1.38Å | Aromatic |
| O3 | C7 | sing | 1.35Å | 1.36Å | Aromatic |
| C11 | N2 | sing | 1.47Å | 1.46Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| N1 | C12 | sing | 1.47Å | 1.47Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H14 | sing | 1.08Å | 1.08Å | |
| N | H7 | 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 | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 112.3° | 114.0° |
| O | C | H | 109.5° | 109.5° |
| O | C | H1 | 109.5° | 109.5° |
| O | C | H2 | 109.5° | 109.5° |
| O | C1 | C2 | 109.4° | 109.5° |
| O | C1 | H4 | 109.5° | 109.5° |
| O | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | N | 112.5° | 109.4° |
| C2 | C1 | H4 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H6 | 108.7° | 109.5° |
| C1 | C2 | H5 | 108.7° | 109.4° |
| C2 | N | C3 | 121.1° | 119.9° |
| C2 | N | H7 | 119.5° | 120.0° |
| N | C2 | H6 | 108.7° | 109.5° |
| N | C2 | H5 | 108.7° | 109.5° |
| N | C3 | O1 | 122.5° | 120.0° |
| N | C3 | N1 | 116.4° | 120.0° |
| C3 | N | H7 | 119.4° | 120.0° |
| O1 | C3 | N1 | 121.1° | 120.0° |
| C3 | N1 | C4 | 118.4° | 120.6° |
| C3 | N1 | C12 | 123.5° | 120.6° |
| N1 | C4 | C5 | 109.9° | 108.7° |
| C4 | N1 | C12 | 115.4° | 118.8° |
| N1 | C4 | H8 | 109.4° | 109.6° |
| N1 | C4 | H9 | 109.4° | 109.6° |
| C4 | C5 | N2 | 109.6° | 108.6° |
| C5 | C4 | H8 | 109.3° | 109.6° |
| C5 | C4 | H9 | 109.3° | 109.6° |
| C4 | C5 | H11 | 109.4° | 109.6° |
| C4 | C5 | H10 | 109.4° | 109.6° |
| C5 | N2 | C6 | 130.5° | 120.6° |
| C5 | N2 | C11 | 109.8° | 118.8° |
| N2 | C5 | H11 | 109.4° | 109.7° |
| N2 | C5 | H10 | 109.4° | 109.6° |
| N2 | C6 | O2 | 120.3° | 120.0° |
| N2 | C6 | C7 | 121.2° | 120.0° |
| C6 | N2 | C11 | 119.6° | 120.6° |
| O2 | C6 | C7 | 118.5° | 120.0° |
| C6 | C7 | C8 | 131.1° | 126.0° |
| C6 | C7 | O3 | 119.4° | 126.0° |
| C7 | C8 | C9 | 106.8° | 106.7° |
| C8 | C7 | O3 | 109.1° | 108.0° |
| C7 | C8 | H12 | 126.6° | 126.6° |
| C8 | C9 | C10 | 107.5° | 107.1° |
| C9 | C8 | H12 | 126.6° | 126.6° |
| C8 | C9 | H13 | 126.3° | 126.5° |
| C9 | C10 | O3 | 110.9° | 108.7° |
| C9 | C10 | H14 | 124.5° | 125.6° |
| C10 | C9 | H13 | 126.2° | 126.4° |
| C10 | O3 | C7 | 105.6° | 109.4° |
| O3 | C10 | H14 | 124.5° | 125.6° |
| N2 | C11 | C12 | 109.8° | 108.6° |
| N2 | C11 | H15 | 109.4° | 109.6° |
| N2 | C11 | H16 | 109.4° | 109.6° |
| C11 | C12 | N1 | 110.3° | 108.6° |
| C12 | C11 | H15 | 109.4° | 109.6° |
| C12 | C11 | H16 | 109.4° | 109.7° |
| C11 | C12 | H18 | 109.3° | 109.6° |
| C11 | C12 | H17 | 109.3° | 109.6° |
| N1 | C12 | H18 | 109.3° | 109.6° |
| N1 | C12 | H17 | 109.3° | 109.6° |
| H8 | C4 | H9 | 109.5° | 109.7° |
| H11 | C5 | H10 | 109.5° | 109.7° |
| H | C | H1 | 109.5° | 109.4° |
| H | C | H2 | 109.5° | 109.5° |
| H1 | C | H2 | 109.4° | 109.5° |
| H4 | C1 | H3 | 109.5° | 109.4° |
| H15 | C11 | H16 | 109.5° | 109.6° |
| H18 | C12 | H17 | 109.4° | 109.8° |
| H6 | C2 | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 170.5° | 180.0° |
| O | C | H | H1 | 120.0° | 120.0° |
| O | C | H | H2 | 120.0° | 120.0° |
| O | C | H1 | H2 | 120.0° | 120.0° |
| C | O | C1 | H4 | 50.5° | 60.0° |
| C | O | C1 | H3 | 69.5° | 60.0° |
| O | C1 | C2 | H4 | 120.0° | 120.0° |
| O | C1 | C2 | H3 | 120.0° | 120.0° |
| O | C1 | C2 | N | 56.7° | 65.0° |
| 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 | H4 | H3 | 120.0° | 120.0° |
| O | C1 | C2 | H6 | 63.7° | 55.0° |
| O | C1 | C2 | H5 | 177.2° | 175.0° |
| C1 | C2 | N | H6 | 120.4° | 120.0° |
| C1 | C2 | N | H5 | 120.5° | 119.9° |
| C1 | C2 | N | C3 | 83.4° | 179.9° |
| C1 | C2 | N | H7 | 96.6° | 0.0° |
| C2 | C1 | H4 | H3 | 120.0° | 120.0° |
| C1 | C2 | H6 | H5 | 118.6° | 120.0° |
| C2 | N | C3 | H7 | 180.0° | 179.9° |
| C2 | N | C3 | O1 | 9.0° | 5.1° |
| C2 | N | C3 | N1 | 170.1° | 174.8° |
| N | C2 | C1 | H4 | 176.7° | 55.0° |
| N | C2 | C1 | H3 | 63.2° | 175.0° |
| N | C2 | H6 | H5 | 118.6° | 120.1° |
| N | C3 | O1 | N1 | 179.0° | 179.9° |
| N | C3 | N1 | C4 | 157.5° | 5.2° |
| N | C3 | N1 | C12 | 2.6° | 174.5° |
| C3 | N | C2 | H6 | 156.1° | 60.1° |
| C3 | N | C2 | H5 | 37.0° | 60.0° |
| O1 | C3 | N1 | C4 | 23.4° | 174.7° |
| O1 | C3 | N1 | C12 | 176.5° | 5.6° |
| O1 | C3 | N | H7 | 171.0° | 174.8° |
| C3 | N1 | C4 | C12 | 161.8° | 179.7° |
| C3 | N1 | C4 | C5 | 147.7° | 124.5° |
| C3 | N1 | C12 | C11 | 149.1° | 124.5° |
| C3 | N1 | C4 | H8 | 27.6° | 115.7° |
| C3 | N1 | C4 | H9 | 92.3° | 4.7° |
| N1 | C3 | N | H7 | 9.9° | 5.3° |
| C3 | N1 | C12 | H18 | 29.0° | 4.8° |
| C3 | N1 | C12 | H17 | 90.8° | 115.8° |
| N1 | C4 | C5 | H8 | 120.1° | 119.8° |
| N1 | C4 | C5 | H9 | 120.1° | 119.7° |
| N1 | C4 | C5 | N2 | 55.5° | 49.4° |
| C4 | N1 | C12 | C11 | 50.2° | 55.3° |
| N1 | C4 | H8 | H9 | 119.8° | 120.4° |
| N1 | C4 | C5 | H11 | 64.5° | 169.2° |
| N1 | C4 | C5 | H10 | 175.5° | 70.3° |
| C4 | N1 | C12 | H18 | 170.3° | 175.0° |
| C4 | N1 | C12 | H17 | 69.9° | 64.5° |
| C4 | C5 | N2 | H11 | 120.0° | 119.8° |
| C4 | C5 | N2 | H10 | 120.0° | 119.7° |
| C4 | C5 | N2 | C6 | 119.7° | 124.8° |
| C4 | C5 | N2 | C11 | 63.2° | 55.2° |
| C5 | C4 | N1 | C12 | 50.6° | 55.2° |
| C5 | C4 | H8 | H9 | 119.8° | 120.4° |
| C4 | C5 | H11 | H10 | 120.0° | 120.4° |
| C5 | N2 | C6 | C11 | 176.9° | 180.0° |
| C5 | N2 | C6 | O2 | 163.2° | 6.5° |
| C5 | N2 | C6 | C7 | 17.8° | 173.5° |
| C5 | N2 | C11 | C12 | 62.8° | 55.2° |
| N2 | C5 | C4 | H8 | 175.6° | 70.4° |
| N2 | C5 | C4 | H9 | 64.6° | 169.1° |
| N2 | C5 | H11 | H10 | 119.9° | 120.4° |
| C5 | N2 | C11 | H15 | 57.3° | 64.5° |
| C5 | N2 | C11 | H16 | 177.2° | 175.1° |
| N2 | C6 | O2 | C7 | 179.0° | 180.0° |
| N2 | C6 | C7 | C8 | 167.7° | 172.6° |
| N2 | C6 | C7 | O3 | 19.9° | 7.1° |
| C6 | N2 | C11 | C12 | 119.8° | 124.8° |
| C6 | N2 | C5 | H11 | 120.3° | 5.0° |
| C6 | N2 | C5 | H10 | 0.3° | 115.5° |
| C6 | N2 | C11 | H15 | 120.2° | 115.5° |
| C6 | N2 | C11 | H16 | 0.3° | 4.9° |
| O2 | C6 | C7 | C8 | 13.3° | 7.4° |
| O2 | C6 | C7 | O3 | 159.1° | 172.9° |
| O2 | C6 | N2 | C11 | 13.7° | 173.5° |
| C6 | C7 | C8 | O3 | 173.0° | 179.7° |
| C6 | C7 | C8 | C9 | 172.6° | 180.0° |
| C6 | C7 | O3 | C10 | 173.2° | 179.8° |
| C7 | C6 | N2 | C11 | 165.3° | 6.5° |
| C6 | C7 | C8 | H12 | 7.4° | 0.0° |
| C7 | C8 | C9 | H12 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.0° |
| C8 | C7 | O3 | C10 | 0.7° | 0.4° |
| C7 | C8 | C9 | H13 | 179.9° | 180.0° |
| C8 | C9 | C10 | H13 | 180.0° | 180.0° |
| C8 | C9 | C10 | O3 | 0.6° | 0.3° |
| C9 | C8 | C7 | O3 | 0.4° | 0.2° |
| C8 | C9 | C10 | H14 | 179.4° | 179.8° |
| C9 | C10 | O3 | H14 | 180.0° | 179.6° |
| C9 | C10 | O3 | C7 | 0.9° | 0.4° |
| C10 | C9 | C8 | H12 | 179.8° | 179.9° |
| O3 | C10 | C9 | H13 | 179.4° | 179.8° |
| O3 | C7 | C8 | H12 | 179.6° | 179.8° |
| C7 | O3 | C10 | H14 | 179.2° | 180.0° |
| N2 | C11 | C12 | H15 | 120.0° | 119.8° |
| N2 | C11 | C12 | H16 | 120.1° | 119.8° |
| N2 | C11 | C12 | N1 | 54.8° | 49.5° |
| C11 | N2 | C5 | H11 | 56.8° | 175.0° |
| C11 | N2 | C5 | H10 | 176.8° | 64.5° |
| N2 | C11 | H15 | H16 | 119.9° | 120.4° |
| N2 | C11 | C12 | H18 | 174.9° | 169.2° |
| N2 | C11 | C12 | H17 | 65.4° | 70.3° |
| C11 | C12 | N1 | H18 | 120.1° | 119.7° |
| C11 | C12 | N1 | H17 | 120.1° | 119.7° |
| C12 | C11 | H15 | H16 | 119.8° | 120.4° |
| C11 | C12 | H18 | H17 | 119.6° | 120.5° |
| C12 | N1 | C4 | H8 | 170.6° | 64.5° |
| C12 | N1 | C4 | H9 | 69.5° | 175.0° |
| N1 | C12 | C11 | H15 | 65.3° | 70.3° |
| N1 | C12 | C11 | H16 | 174.8° | 169.3° |
| N1 | C12 | H18 | H17 | 119.6° | 120.5° |
| H8 | C4 | C5 | H11 | 55.6° | 49.4° |
| H8 | C4 | C5 | H10 | 64.4° | 169.9° |
| H9 | C4 | C5 | H11 | 175.5° | 71.1° |
| H9 | C4 | C5 | H10 | 55.4° | 49.4° |
| H12 | C8 | C9 | H13 | 0.1° | 0.0° |
| H14 | C10 | C9 | H13 | 0.6° | 0.2° |
| H7 | N | C2 | H6 | 23.9° | 120.0° |
| H7 | N | C2 | H5 | 143.0° | 119.9° |
| H | C | H1 | H2 | 120.0° | 120.0° |
| H4 | C1 | C2 | H6 | 56.3° | 175.0° |
| H4 | C1 | C2 | H5 | 62.8° | 65.0° |
| H3 | C1 | C2 | H6 | 176.3° | 65.0° |
| H3 | C1 | C2 | H5 | 57.2° | 55.0° |
| H15 | C11 | C12 | H18 | 54.9° | 49.4° |
| H15 | C11 | C12 | H17 | 174.6° | 169.9° |
| H16 | C11 | C12 | H18 | 65.0° | 71.0° |
| H16 | C11 | C12 | H17 | 54.7° | 49.6° |
