OX5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O1 | C1 | sing | 1.36Å | 1.34Å | |
| C1 | C2 | doub | 1.39Å | 1.43Å | |
| C1 | C6 | sing | 1.40Å | 1.42Å | |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C2 | C3 | sing | 1.40Å | 1.41Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.42Å | |
| C4 | C7 | sing | 1.47Å | 1.43Å | |
| C4 | C5 | sing | 1.39Å | 1.42Å | |
| C5 | H5 | sing | 1.09Å | 1.08Å | |
| C5 | C6 | doub | 1.40Å | 1.41Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | H7 | sing | 1.11Å | 1.08Å | |
| C7 | N8 | doub | 1.29Å | 1.26Å | |
| N8 | O9 | sing | 1.40Å | 1.37Å | |
| O9 | C10 | sing | 1.37Å | 1.37Å | |
| C10 | O2 | doub | 1.22Å | 56.75Å | |
| C10 | C8 | sing | 1.51Å | 56.75Å | |
| C8 | H81 | sing | 1.10Å | 0.00Å | |
| C8 | H82 | sing | 1.10Å | 0.00Å | |
| C8 | C12 | sing | 1.54Å | 0.00Å | |
| C9 | C12 | sing | 1.54Å | 0.00Å | |
| C9 | H91 | sing | 1.10Å | 0.00Å | |
| C9 | H92 | sing | 1.10Å | 0.00Å | |
| C9 | H93 | sing | 1.10Å | 0.00Å | |
| C11 | C12 | sing | 1.54Å | 0.00Å | |
| C11 | H111 | sing | 1.10Å | 0.00Å | |
| C11 | H112 | sing | 1.10Å | 0.00Å | |
| C11 | H113 | sing | 1.10Å | 0.00Å | |
| C12 | C13 | sing | 1.54Å | 0.00Å | |
| C13 | H131 | sing | 1.10Å | 0.00Å | |
| C13 | H132 | sing | 1.09Å | 0.00Å | |
| C13 | H133 | sing | 1.10Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HO1 | O1 | C1 | 109.5° | 110.3° |
| O1 | C1 | C2 | 119.7° | 120.0° |
| O1 | C1 | C6 | 119.9° | 120.0° |
| C2 | C1 | C6 | 120.4° | 120.0° |
| C1 | C2 | H2 | 120.2° | 120.3° |
| C1 | C2 | C3 | 119.6° | 120.0° |
| C1 | C6 | C5 | 119.9° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.4° |
| H2 | C2 | C3 | 120.2° | 119.6° |
| C2 | C3 | H3 | 120.0° | 119.4° |
| C2 | C3 | C4 | 119.9° | 119.3° |
| H3 | C3 | C4 | 120.0° | 121.3° |
| C3 | C4 | C7 | 119.5° | 119.3° |
| C3 | C4 | C5 | 120.4° | 121.3° |
| C7 | C4 | C5 | 120.1° | 119.4° |
| C4 | C7 | H7 | 119.8° | 117.0° |
| C4 | C7 | N8 | 120.4° | 122.2° |
| C4 | C5 | H5 | 120.2° | 121.2° |
| C4 | C5 | C6 | 119.7° | 119.4° |
| H5 | C5 | C6 | 120.1° | 119.4° |
| C5 | C6 | H6 | 120.1° | 119.7° |
| H7 | C7 | N8 | 119.8° | 120.8° |
| C7 | N8 | O9 | 118.6° | 108.7° |
| N8 | O9 | C10 | 117.0° | 108.6° |
| O9 | C10 | O2 | 15.2° | 126.5° |
| O9 | C10 | C8 | 15.2° | 109.8° |
| O2 | C10 | C8 | 0.0° | 123.7° |
| C10 | C8 | H81 | 90.0° | 108.3° |
| C10 | C8 | H82 | 90.0° | 106.9° |
| C10 | C8 | C12 | 90.0° | 114.6° |
| H81 | C8 | H82 | 90.0° | 105.2° |
| H81 | C8 | C12 | 90.0° | 110.7° |
| H82 | C8 | C12 | 90.0° | 110.6° |
| C8 | C12 | C9 | 90.0° | 111.1° |
| C8 | C12 | C11 | 90.0° | 108.1° |
| C8 | C12 | C13 | 90.0° | 111.2° |
| C12 | C9 | H91 | 90.0° | 111.1° |
| C12 | C9 | H92 | 90.0° | 111.7° |
| C12 | C9 | H93 | 90.0° | 111.2° |
| C9 | C12 | C11 | 90.0° | 108.5° |
| C9 | C12 | C13 | 90.0° | 109.3° |
| H91 | C9 | H92 | 90.0° | 107.1° |
| H91 | C9 | H93 | 90.0° | 107.7° |
| H92 | C9 | H93 | 90.0° | 107.9° |
| C12 | C11 | H111 | 90.0° | 111.1° |
| C12 | C11 | H112 | 90.0° | 111.3° |
| C12 | C11 | H113 | 90.0° | 111.1° |
| C11 | C12 | C13 | 90.0° | 108.5° |
| H111 | C11 | H112 | 90.0° | 107.7° |
| H111 | C11 | H113 | 90.0° | 107.8° |
| H112 | C11 | H113 | 90.0° | 107.6° |
| C12 | C13 | H131 | 90.0° | 111.1° |
| C12 | C13 | H132 | 90.0° | 111.7° |
| C12 | C13 | H133 | 90.0° | 111.1° |
| H131 | C13 | H132 | 90.0° | 107.2° |
| H131 | C13 | H133 | 90.0° | 107.6° |
| H132 | C13 | H133 | 90.0° | 108.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HO1 | O1 | C1 | C2 | 178.1° | 78.9° |
| HO1 | O1 | C1 | C6 | 1.9° | 101.1° |
| O1 | C1 | C2 | C6 | 180.0° | 179.9° |
| O1 | C1 | C2 | H2 | 0.2° | 0.0° |
| O1 | C1 | C2 | C3 | 179.8° | 180.0° |
| O1 | C1 | C6 | C5 | 179.8° | 180.0° |
| O1 | C1 | C6 | H6 | 0.2° | 0.1° |
| C1 | C2 | H2 | C3 | 180.0° | 180.0° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C6 | C1 | C2 | H2 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| C2 | C3 | H3 | C4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C7 | 179.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| H3 | C3 | C4 | C7 | 0.6° | 0.1° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| C3 | C4 | C7 | C5 | 179.4° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.0° | 0.0° |
| C3 | C4 | C7 | H7 | 116.0° | 0.1° |
| C3 | C4 | C7 | N8 | 64.0° | 180.0° |
| C7 | C4 | C5 | H5 | 0.6° | 0.0° |
| C7 | C4 | C5 | C6 | 179.4° | 179.9° |
| C4 | C7 | H7 | N8 | 180.0° | 180.0° |
| C4 | C7 | N8 | O9 | 178.6° | 180.0° |
| C4 | C5 | H5 | C6 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C7 | H7 | 63.5° | 180.0° |
| C5 | C4 | C7 | N8 | 116.6° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H7 | C7 | N8 | O9 | 1.4° | 0.0° |
| C7 | N8 | O9 | C10 | 88.6° | 180.0° |
| N8 | O9 | C10 | O2 | 108.9° | 0.5° |
| N8 | O9 | C10 | C8 | 108.9° | 180.0° |
| O9 | C10 | O2 | C8 | 90.0° | 179.4° |
| O9 | C10 | C8 | H81 | 90.0° | 30.5° |
| O9 | C10 | C8 | H82 | 90.0° | 143.5° |
| O9 | C10 | C8 | C12 | 90.0° | 93.6° |
| O2 | C10 | C8 | H81 | 90.0° | 150.0° |
| O2 | C10 | C8 | H82 | 90.0° | 37.0° |
| O2 | C10 | C8 | C12 | 90.0° | 85.9° |
| C10 | C8 | H81 | H82 | 90.0° | 114.1° |
| C10 | C8 | H81 | C12 | 90.0° | 126.4° |
| C10 | C8 | H82 | C12 | 90.0° | 125.3° |
| C10 | C8 | C12 | C9 | 90.0° | 62.9° |
| C10 | C8 | C12 | C11 | 90.0° | 56.1° |
| C10 | C8 | C12 | C13 | 90.0° | 175.1° |
| H81 | C8 | H82 | C12 | 90.0° | 119.6° |
| H81 | C8 | C12 | C9 | 90.0° | 60.0° |
| H81 | C8 | C12 | C11 | 90.0° | 178.9° |
| H81 | C8 | C12 | C13 | 90.0° | 62.1° |
| H82 | C8 | C12 | C9 | 90.0° | 176.2° |
| H82 | C8 | C12 | C11 | 90.0° | 64.8° |
| H82 | C8 | C12 | C13 | 90.0° | 54.2° |
| C8 | C12 | C9 | C11 | 90.0° | 118.8° |
| C8 | C12 | C9 | C13 | 90.0° | 123.1° |
| C8 | C12 | C9 | H91 | 90.0° | 174.7° |
| C8 | C12 | C9 | H92 | 90.0° | 65.7° |
| C8 | C12 | C9 | H93 | 90.0° | 54.9° |
| C8 | C12 | C11 | C13 | 90.0° | 120.7° |
| C8 | C12 | C11 | H111 | 90.0° | 60.0° |
| C8 | C12 | C11 | H112 | 90.0° | 180.0° |
| C8 | C12 | C11 | H113 | 90.0° | 60.0° |
| C8 | C12 | C13 | H131 | 90.0° | 174.8° |
| C8 | C12 | C13 | H132 | 90.0° | 65.6° |
| C8 | C12 | C13 | H133 | 90.0° | 55.1° |
| C12 | C9 | H91 | H92 | 90.0° | 122.3° |
| C12 | C9 | H91 | H93 | 90.0° | 121.9° |
| C12 | C9 | H92 | H93 | 90.0° | 122.5° |
| C9 | C12 | C11 | C13 | 90.0° | 118.7° |
| C9 | C12 | C11 | H111 | 90.0° | 60.6° |
| C9 | C12 | C11 | H112 | 90.0° | 59.4° |
| C9 | C12 | C11 | H113 | 90.0° | 179.3° |
| C9 | C12 | C13 | H131 | 90.0° | 62.1° |
| C9 | C12 | C13 | H132 | 90.0° | 57.5° |
| C9 | C12 | C13 | H133 | 90.0° | 178.1° |
| H91 | C9 | H92 | H93 | 90.0° | 115.7° |
| H91 | C9 | C12 | C11 | 90.0° | 56.0° |
| H91 | C9 | C12 | C13 | 90.0° | 62.2° |
| H92 | C9 | C12 | C11 | 90.0° | 175.5° |
| H92 | C9 | C12 | C13 | 90.0° | 57.4° |
| H93 | C9 | C12 | C11 | 90.0° | 63.9° |
| H93 | C9 | C12 | C13 | 90.0° | 178.0° |
| C12 | C11 | H111 | H112 | 90.0° | 122.1° |
| C12 | C11 | H111 | H113 | 90.0° | 122.0° |
| C12 | C11 | H112 | H113 | 90.0° | 122.0° |
| C11 | C12 | C13 | H131 | 90.0° | 56.0° |
| C11 | C12 | C13 | H132 | 90.0° | 175.6° |
| C11 | C12 | C13 | H133 | 90.0° | 63.7° |
| H111 | C11 | H112 | H113 | 90.0° | 116.0° |
| H111 | C11 | C12 | C13 | 90.0° | 179.3° |
| H112 | C11 | C12 | C13 | 90.0° | 59.3° |
| H113 | C11 | C12 | C13 | 90.0° | 60.7° |
| C12 | C13 | H131 | H132 | 90.0° | 122.3° |
| C12 | C13 | H131 | H133 | 90.0° | 121.8° |
| C12 | C13 | H132 | H133 | 90.0° | 122.5° |
| H131 | C13 | H132 | H133 | 90.0° | 115.7° |
