Y4H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | O5 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| OAO | PAM | doub | 1.48Å | 1.52Å | |
| C6 | O6 | sing | 1.43Å | 1.42Å | |
| O2 | C2 | sing | 1.43Å | 1.51Å | |
| O2 | PAM | sing | 1.61Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| PAM | OAN | sing | 1.61Å | 1.51Å | |
| PAM | OA2 | sing | 1.61Å | 1.63Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| O31 | C31 | sing | 1.43Å | 1.42Å | |
| OA2 | C21 | sing | 1.43Å | 1.44Å | |
| C21 | C31 | sing | 1.53Å | 1.52Å | |
| C21 | C11 | sing | 1.53Å | 1.53Å | |
| C31 | C41 | sing | 1.53Å | 1.52Å | |
| O11 | C11 | sing | 1.43Å | 1.39Å | |
| C41 | O41 | sing | 1.43Å | 1.42Å | |
| C41 | C51 | sing | 1.53Å | 1.53Å | |
| C11 | O51 | sing | 1.43Å | 1.44Å | |
| O61 | C61 | sing | 1.43Å | 1.41Å | |
| O51 | C51 | sing | 1.43Å | 1.44Å | |
| C51 | C61 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| OAN | H7 | sing | 0.97Å | 0.95Å | |
| C31 | H8 | sing | 1.09Å | 1.10Å | |
| O31 | H9 | sing | 0.97Å | 0.95Å | |
| C41 | H10 | sing | 1.09Å | 1.10Å | |
| O41 | H11 | sing | 0.97Å | 0.95Å | |
| C51 | H12 | sing | 1.09Å | 1.10Å | |
| C61 | H13 | sing | 1.09Å | 1.10Å | |
| C61 | H14 | sing | 1.09Å | 1.10Å | |
| O61 | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| O11 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | O5 | 111.7° | 109.5° |
| O1 | C1 | C2 | 109.6° | 109.5° |
| O1 | C1 | H1 | 108.9° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| O5 | C1 | C2 | 111.1° | 109.4° |
| C1 | O5 | C5 | 113.8° | 114.1° |
| O5 | C1 | H1 | 108.4° | 109.5° |
| C1 | C2 | O2 | 113.5° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.1° |
| C2 | C1 | H1 | 107.1° | 109.5° |
| C1 | C2 | H2 | 107.2° | 109.5° |
| O5 | C5 | C6 | 107.0° | 109.5° |
| O5 | C5 | C4 | 109.1° | 109.4° |
| O5 | C5 | H5 | 109.5° | 109.5° |
| C6 | C5 | C4 | 114.2° | 109.5° |
| C5 | C6 | O6 | 112.1° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C5 | C6 | H61 | 108.8° | 109.5° |
| C5 | C6 | H62 | 108.8° | 109.5° |
| C5 | C4 | C3 | 108.9° | 109.2° |
| C5 | C4 | O4 | 111.7° | 109.5° |
| C5 | C4 | H4 | 108.1° | 109.6° |
| C4 | C5 | H5 | 108.4° | 109.4° |
| OAO | PAM | O2 | 112.9° | 109.4° |
| OAO | PAM | OAN | 114.7° | 109.5° |
| OAO | PAM | OA2 | 108.6° | 109.4° |
| O6 | C6 | H61 | 108.8° | 109.4° |
| O6 | C6 | H62 | 108.8° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C2 | O2 | PAM | 120.7° | 123.0° |
| O2 | C2 | C3 | 110.1° | 109.5° |
| O2 | C2 | H2 | 107.6° | 109.6° |
| O2 | PAM | OAN | 112.8° | 109.5° |
| O2 | PAM | OA2 | 105.0° | 109.5° |
| C2 | C3 | C4 | 110.1° | 109.0° |
| C2 | C3 | O3 | 111.2° | 109.5° |
| C3 | C2 | H2 | 107.4° | 109.5° |
| C2 | C3 | H3 | 108.4° | 109.6° |
| OAN | PAM | OA2 | 101.6° | 109.5° |
| PAM | OAN | H7 | 109.5° | 114.0° |
| PAM | OA2 | C21 | 122.7° | 123.0° |
| C4 | C3 | O3 | 108.9° | 109.5° |
| C3 | C4 | O4 | 110.5° | 109.5° |
| C3 | C4 | H4 | 108.1° | 109.5° |
| C4 | C3 | H3 | 108.4° | 109.6° |
| O3 | C3 | H3 | 109.7° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C4 | H4 | 109.4° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O31 | C31 | C21 | 110.2° | 109.5° |
| O31 | C31 | C41 | 110.9° | 109.5° |
| O31 | C31 | H8 | 108.7° | 109.6° |
| C31 | O31 | H9 | 109.5° | 114.0° |
| OA2 | C21 | C31 | 106.8° | 109.6° |
| OA2 | C21 | C11 | 107.7° | 109.5° |
| OA2 | C21 | H6 | 111.0° | 109.5° |
| C31 | C21 | C11 | 111.5° | 109.2° |
| C21 | C31 | C41 | 111.9° | 109.1° |
| C31 | C21 | H6 | 109.9° | 109.5° |
| C21 | C31 | H8 | 107.5° | 109.5° |
| C21 | C11 | O11 | 121.9° | 109.5° |
| C21 | C11 | O51 | 108.7° | 109.4° |
| C11 | C21 | H6 | 109.8° | 109.6° |
| C21 | C11 | H16 | 108.7° | 109.5° |
| C31 | C41 | O41 | 109.3° | 109.5° |
| C31 | C41 | C51 | 109.2° | 109.2° |
| C41 | C31 | H8 | 107.5° | 109.6° |
| C31 | C41 | H10 | 109.1° | 109.5° |
| O11 | C11 | O51 | 95.8° | 109.5° |
| O11 | C11 | H16 | 110.7° | 109.5° |
| C11 | O11 | H17 | 109.5° | 114.0° |
| O41 | C41 | C51 | 109.6° | 109.5° |
| O41 | C41 | H10 | 110.6° | 109.5° |
| C41 | O41 | H11 | 109.5° | 114.0° |
| C41 | C51 | O51 | 108.6° | 109.4° |
| C41 | C51 | C61 | 114.0° | 109.5° |
| C51 | C41 | H10 | 109.0° | 109.6° |
| C41 | C51 | H12 | 108.6° | 109.5° |
| C11 | O51 | C51 | 113.9° | 114.1° |
| O51 | C11 | H16 | 109.9° | 109.5° |
| O61 | C61 | C51 | 110.4° | 109.5° |
| O61 | C61 | H13 | 109.2° | 109.5° |
| O61 | C61 | H14 | 109.2° | 109.4° |
| C61 | O61 | H15 | 109.5° | 114.0° |
| O51 | C51 | C61 | 106.7° | 109.5° |
| O51 | C51 | H12 | 109.9° | 109.5° |
| C61 | C51 | H12 | 108.9° | 109.5° |
| C51 | C61 | H13 | 109.3° | 109.5° |
| C51 | C61 | H14 | 109.3° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| H13 | C61 | H14 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | O5 | C2 | 122.6° | 120.0° |
| O1 | C1 | O5 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H1 | 118.0° | 120.0° |
| O1 | C1 | O5 | C5 | 65.6° | 58.8° |
| O1 | C1 | C2 | O2 | 52.1° | 57.5° |
| O1 | C1 | C2 | C3 | 72.4° | 62.4° |
| O1 | C1 | C2 | H2 | 170.7° | 177.8° |
| O5 | C1 | C2 | H1 | 118.2° | 120.0° |
| C1 | O5 | C5 | C6 | 174.1° | 178.9° |
| C1 | O5 | C5 | C4 | 61.8° | 61.1° |
| O5 | C1 | C2 | O2 | 175.9° | 177.5° |
| O5 | C1 | C2 | C3 | 51.4° | 57.6° |
| C1 | O5 | C5 | H5 | 56.7° | 58.8° |
| O5 | C1 | C2 | H2 | 65.5° | 62.3° |
| O5 | C1 | O1 | HO1 | 180.0° | 60.0° |
| C2 | C1 | O5 | C5 | 57.0° | 61.2° |
| C1 | C2 | O2 | C3 | 124.9° | 119.7° |
| C1 | C2 | O2 | H2 | 118.4° | 120.2° |
| C1 | C2 | O2 | PAM | 116.9° | 120.0° |
| C1 | C2 | C3 | H2 | 116.7° | 119.9° |
| C1 | C2 | C3 | C4 | 52.8° | 57.0° |
| C1 | C2 | C3 | O3 | 173.6° | 176.8° |
| C1 | C2 | C3 | H3 | 65.7° | 62.9° |
| C2 | C1 | O1 | HO1 | 56.5° | 179.9° |
| O5 | C5 | C6 | C4 | 120.8° | 119.9° |
| O5 | C5 | C6 | H5 | 118.1° | 120.1° |
| O5 | C5 | C4 | H5 | 119.2° | 120.0° |
| O5 | C5 | C6 | O6 | 73.8° | 65.1° |
| O5 | C5 | C4 | C3 | 60.6° | 57.6° |
| O5 | C5 | C4 | O4 | 177.1° | 177.5° |
| O5 | C5 | C4 | H4 | 56.6° | 62.4° |
| O5 | C5 | C6 | H61 | 46.6° | 174.9° |
| O5 | C5 | C6 | H62 | 165.8° | 55.0° |
| C5 | O5 | C1 | H1 | 174.4° | 178.8° |
| C6 | C5 | C4 | H5 | 121.1° | 120.0° |
| C5 | C6 | O6 | H61 | 120.4° | 120.0° |
| C5 | C6 | O6 | H62 | 120.4° | 120.0° |
| C6 | C5 | C4 | C3 | 179.7° | 177.6° |
| C6 | C5 | C4 | O4 | 57.4° | 62.5° |
| C6 | C5 | C4 | H4 | 63.0° | 57.6° |
| C5 | C6 | H61 | H62 | 118.8° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 47.0° | 175.0° |
| C5 | C4 | C3 | C2 | 57.4° | 57.0° |
| C5 | C4 | C3 | O4 | 123.0° | 119.9° |
| C5 | C4 | C3 | H4 | 117.3° | 120.0° |
| C5 | C4 | C3 | O3 | 179.6° | 176.8° |
| C5 | C4 | O4 | H4 | 119.7° | 120.2° |
| C4 | C5 | C6 | H61 | 167.4° | 55.0° |
| C4 | C5 | C6 | H62 | 73.4° | 65.0° |
| C5 | C4 | C3 | H3 | 61.1° | 62.9° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.3° |
| OAO | PAM | O2 | C2 | 151.3° | 55.0° |
| OAO | PAM | O2 | OAN | 132.1° | 120.0° |
| OAO | PAM | O2 | OA2 | 118.1° | 120.0° |
| OAO | PAM | OAN | OA2 | 116.9° | 120.0° |
| OAO | PAM | OA2 | C21 | 29.4° | 55.0° |
| OAO | PAM | OAN | H7 | 0.0° | 180.0° |
| O6 | C6 | C5 | H5 | 168.1° | 55.0° |
| O6 | C6 | H61 | H62 | 118.8° | 120.0° |
| O2 | C2 | C3 | H2 | 116.8° | 120.2° |
| C2 | O2 | PAM | OAN | 19.2° | 65.0° |
| C2 | O2 | PAM | OA2 | 90.5° | 175.0° |
| O2 | C2 | C3 | C4 | 179.2° | 176.9° |
| O2 | C2 | C3 | O3 | 59.9° | 63.2° |
| O2 | C2 | C1 | H1 | 65.9° | 62.5° |
| O2 | C2 | C3 | H3 | 60.7° | 57.0° |
| PAM | O2 | C2 | C3 | 118.1° | 120.4° |
| O2 | PAM | OAN | OA2 | 111.9° | 120.0° |
| O2 | PAM | OA2 | C21 | 91.6° | 175.0° |
| PAM | O2 | C2 | H2 | 1.4° | 0.2° |
| O2 | PAM | OAN | H7 | 131.1° | 60.0° |
| C2 | C3 | C4 | O3 | 122.2° | 119.8° |
| C2 | C3 | C4 | H3 | 118.4° | 119.9° |
| C2 | C3 | O3 | H3 | 119.9° | 120.2° |
| C2 | C3 | C4 | O4 | 179.6° | 176.9° |
| C2 | C3 | C4 | H4 | 59.9° | 63.0° |
| C3 | C2 | C1 | H1 | 169.6° | 177.6° |
| C2 | C3 | O3 | HO3 | 180.0° | 180.0° |
| OAN | PAM | OA2 | C21 | 150.7° | 64.9° |
| PAM | OA2 | C21 | C31 | 120.3° | 120.0° |
| PAM | OA2 | C21 | C11 | 119.7° | 120.4° |
| PAM | OA2 | C21 | H6 | 0.6° | 0.2° |
| OA2 | PAM | OAN | H7 | 117.0° | 60.0° |
| C4 | C3 | O3 | H3 | 118.5° | 120.2° |
| C3 | C4 | O4 | H4 | 118.9° | 120.1° |
| C3 | C4 | C5 | H5 | 58.6° | 62.4° |
| C4 | C3 | C2 | H2 | 64.0° | 62.9° |
| C4 | C3 | O3 | HO3 | 58.5° | 60.5° |
| C3 | C4 | O4 | HO4 | 58.7° | 180.0° |
| O3 | C3 | C4 | O4 | 57.3° | 63.2° |
| O3 | C3 | C4 | H4 | 62.4° | 56.8° |
| O3 | C3 | C2 | H2 | 56.9° | 57.0° |
| O4 | C4 | C5 | H5 | 63.7° | 57.6° |
| O4 | C4 | C3 | H3 | 62.0° | 57.0° |
| O31 | C31 | C21 | OA2 | 68.0° | 63.3° |
| O31 | C31 | C21 | C41 | 123.9° | 119.9° |
| O31 | C31 | C21 | H8 | 118.4° | 120.2° |
| O31 | C31 | C21 | C11 | 174.6° | 176.9° |
| O31 | C31 | C41 | H8 | 118.8° | 120.3° |
| O31 | C31 | C41 | O41 | 64.2° | 63.2° |
| O31 | C31 | C41 | C51 | 175.9° | 176.9° |
| O31 | C31 | C21 | H6 | 52.5° | 56.9° |
| O31 | C31 | C41 | H10 | 56.8° | 56.9° |
| OA2 | C21 | C31 | C11 | 117.5° | 119.9° |
| OA2 | C21 | C31 | H6 | 120.5° | 120.2° |
| OA2 | C21 | C11 | H6 | 121.0° | 120.2° |
| OA2 | C21 | C31 | C41 | 168.2° | 176.8° |
| OA2 | C21 | C11 | O11 | 80.5° | 62.5° |
| OA2 | C21 | C11 | O51 | 169.7° | 177.5° |
| OA2 | C21 | C31 | H8 | 50.4° | 56.9° |
| OA2 | C21 | C11 | H16 | 50.1° | 57.5° |
| C31 | C21 | C11 | H6 | 122.1° | 119.9° |
| C21 | C31 | C41 | H8 | 117.8° | 119.9° |
| C31 | C21 | C11 | O11 | 162.5° | 177.6° |
| C21 | C31 | C41 | O41 | 172.3° | 176.9° |
| C21 | C31 | C41 | C51 | 52.5° | 57.0° |
| C31 | C21 | C11 | O51 | 52.8° | 57.6° |
| C21 | C31 | O31 | H9 | 180.0° | 179.9° |
| C21 | C31 | C41 | H10 | 66.7° | 63.0° |
| C31 | C21 | C11 | H16 | 66.8° | 62.4° |
| C11 | C21 | C31 | C41 | 50.7° | 57.0° |
| C21 | C11 | O11 | O51 | 116.4° | 120.0° |
| C21 | C11 | O11 | H16 | 129.8° | 120.0° |
| C21 | C11 | O51 | H16 | 118.9° | 120.0° |
| C21 | C11 | O51 | C51 | 61.8° | 61.1° |
| C11 | C21 | C31 | H8 | 67.1° | 62.9° |
| C21 | C11 | O11 | H17 | 180.0° | 180.0° |
| C31 | C41 | O41 | C51 | 119.7° | 119.7° |
| C31 | C41 | O41 | H10 | 120.1° | 120.1° |
| C31 | C41 | C51 | H10 | 119.2° | 119.9° |
| C31 | C41 | C51 | O51 | 57.7° | 57.6° |
| C31 | C41 | C51 | C61 | 176.4° | 177.6° |
| C41 | C31 | C21 | H6 | 71.3° | 63.0° |
| C41 | C31 | O31 | H9 | 55.6° | 60.5° |
| C31 | C41 | O41 | H11 | 180.0° | 180.0° |
| C31 | C41 | C51 | H12 | 61.9° | 62.4° |
| O11 | C11 | O51 | H16 | 114.5° | 120.0° |
| O11 | C11 | O51 | C51 | 171.6° | 178.8° |
| O11 | C11 | C21 | H6 | 40.5° | 57.7° |
| O41 | C41 | C51 | H10 | 121.2° | 120.2° |
| O41 | C41 | C51 | O51 | 177.3° | 177.5° |
| O41 | C41 | C51 | C61 | 63.9° | 62.5° |
| O41 | C41 | C31 | H8 | 54.6° | 57.0° |
| O41 | C41 | C51 | H12 | 57.8° | 57.5° |
| C41 | C51 | O51 | C11 | 64.9° | 61.2° |
| C41 | C51 | C61 | O61 | 53.5° | 175.0° |
| C41 | C51 | O51 | C61 | 123.3° | 120.0° |
| C41 | C51 | O51 | H12 | 118.8° | 120.0° |
| C41 | C51 | C61 | H12 | 121.5° | 120.0° |
| C51 | C41 | C31 | H8 | 65.3° | 62.9° |
| C51 | C41 | O41 | H11 | 60.4° | 60.3° |
| C41 | C51 | C61 | H13 | 66.7° | 55.0° |
| C41 | C51 | C61 | H14 | 173.6° | 65.0° |
| C11 | O51 | C51 | C61 | 171.7° | 178.9° |
| O51 | C11 | C21 | H6 | 69.3° | 62.3° |
| C11 | O51 | C51 | H12 | 53.8° | 58.8° |
| O51 | C11 | O11 | H17 | 63.6° | 60.0° |
| O61 | C61 | C51 | O51 | 66.4° | 65.1° |
| O61 | C61 | C51 | H13 | 120.1° | 120.0° |
| O61 | C61 | C51 | H14 | 120.1° | 120.0° |
| O61 | C61 | C51 | H12 | 175.0° | 54.9° |
| O61 | C61 | H13 | H14 | 119.5° | 120.0° |
| O51 | C51 | C61 | H12 | 118.6° | 120.0° |
| O51 | C51 | C41 | H10 | 61.5° | 62.3° |
| O51 | C51 | C61 | H13 | 173.4° | 174.9° |
| O51 | C51 | C61 | H14 | 53.7° | 54.9° |
| C51 | O51 | C11 | H16 | 57.1° | 58.8° |
| C61 | C51 | C41 | H10 | 57.3° | 57.7° |
| C51 | C61 | H13 | H14 | 119.6° | 120.1° |
| C51 | C61 | O61 | H15 | 180.0° | 180.0° |
| H4 | C4 | C5 | H5 | 175.8° | 177.7° |
| H4 | C4 | C3 | H3 | 178.3° | 177.1° |
| H4 | C4 | O4 | HO4 | 60.3° | 59.9° |
| H5 | C5 | C6 | H61 | 71.5° | 65.0° |
| H5 | C5 | C6 | H62 | 47.7° | 175.0° |
| H61 | C6 | O6 | HO6 | 59.6° | 60.0° |
| H62 | C6 | O6 | HO6 | 59.6° | 59.9° |
| H6 | C21 | C31 | H8 | 170.9° | 177.1° |
| H6 | C21 | C11 | H16 | 171.1° | 177.7° |
| H1 | C1 | C2 | H2 | 52.7° | 57.7° |
| H1 | C1 | O1 | HO1 | 60.3° | 60.0° |
| H2 | C2 | C3 | H3 | 177.5° | 177.2° |
| H3 | C3 | O3 | HO3 | 60.1° | 59.8° |
| H8 | C31 | O31 | H9 | 62.4° | 59.8° |
| H8 | C31 | C41 | H10 | 175.5° | 177.2° |
| H10 | C41 | O41 | H11 | 59.9° | 59.9° |
| H10 | C41 | C51 | H12 | 178.9° | 177.7° |
| H12 | C51 | C61 | H13 | 54.8° | 65.0° |
| H12 | C51 | C61 | H14 | 64.9° | 174.9° |
| H13 | C61 | O61 | H15 | 59.8° | 60.0° |
| H14 | C61 | O61 | H15 | 59.8° | 60.0° |
| H16 | C11 | O11 | H17 | 50.2° | 60.0° |
