OH0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| O1 | C9 | doub | 1.21Å | 1.34Å | |
| O2 | C9 | sing | 1.34Å | 1.25Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C6 | O3 | doub | 1.21Å | 1.22Å | |
| C6 | N | sing | 1.35Å | 1.36Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | N | sing | 1.46Å | 1.46Å | |
| N | O | sing | 1.42Å | 1.40Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| O | H11 | sing | 0.97Å | 0.95Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C7 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | C2 | 113.4° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H10 | 109.5° | 109.5° |
| C | C1 | H12 | 108.5° | 109.5° |
| C | C1 | H13 | 108.5° | 109.4° |
| C1 | C2 | C3 | 113.8° | 109.4° |
| C1 | C2 | H3 | 108.4° | 109.5° |
| C1 | C2 | H4 | 108.4° | 109.5° |
| C2 | C1 | H12 | 108.5° | 109.5° |
| C2 | C1 | H13 | 108.5° | 109.5° |
| C2 | C3 | C4 | 111.1° | 109.5° |
| C3 | C2 | H3 | 108.4° | 109.4° |
| C3 | C2 | H4 | 108.4° | 109.5° |
| C2 | C3 | H14 | 109.1° | 109.5° |
| C2 | C3 | H15 | 109.1° | 109.4° |
| C4 | C5 | C6 | 108.4° | 109.5° |
| C5 | C4 | C3 | 117.7° | 109.5° |
| C5 | C4 | H1 | 107.4° | 109.5° |
| C5 | C4 | H2 | 107.4° | 109.5° |
| C4 | C5 | H6 | 109.7° | 109.5° |
| C4 | C5 | H7 | 109.7° | 109.5° |
| C5 | C6 | O3 | 114.8° | 120.0° |
| C5 | C6 | N | 121.2° | 120.0° |
| C6 | C5 | H6 | 109.8° | 109.5° |
| C6 | C5 | H7 | 109.7° | 109.5° |
| C3 | C4 | H1 | 107.4° | 109.5° |
| C3 | C4 | H2 | 107.4° | 109.5° |
| C4 | C3 | H14 | 109.1° | 109.5° |
| C4 | C3 | H15 | 109.1° | 109.5° |
| O1 | C9 | O2 | 120.6° | 120.0° |
| O1 | C9 | C8 | 118.3° | 120.0° |
| O2 | C9 | C8 | 121.0° | 120.0° |
| C9 | O2 | H5 | 109.5° | 117.0° |
| C9 | C8 | C7 | 109.7° | 109.5° |
| C9 | C8 | H18 | 109.4° | 109.4° |
| C9 | C8 | H19 | 109.4° | 109.4° |
| O3 | C6 | N | 123.8° | 120.0° |
| C6 | N | C7 | 127.0° | 120.0° |
| C6 | N | O | 118.2° | 120.0° |
| C8 | C7 | N | 106.6° | 109.4° |
| C8 | C7 | H16 | 110.2° | 109.4° |
| C8 | C7 | H17 | 110.2° | 109.5° |
| C7 | C8 | H18 | 109.4° | 109.5° |
| C7 | C8 | H19 | 109.4° | 109.5° |
| C7 | N | O | 114.6° | 119.9° |
| N | C7 | H16 | 110.2° | 109.5° |
| N | C7 | H17 | 110.2° | 109.5° |
| N | O | H11 | 109.5° | 114.1° |
| H1 | C4 | H2 | 109.5° | 109.4° |
| H3 | C2 | H4 | 109.4° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.4° |
| H8 | C | H9 | 109.5° | 109.4° |
| H8 | C | H10 | 109.5° | 109.5° |
| H9 | C | H10 | 109.4° | 109.4° |
| H12 | C1 | H13 | 109.4° | 109.4° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H16 | C7 | H17 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | C2 | H12 | 120.6° | 120.0° |
| C | C1 | C2 | H13 | 120.6° | 120.0° |
| C | C1 | C2 | C3 | 68.5° | 180.0° |
| C | C1 | C2 | H3 | 52.2° | 60.0° |
| C | C1 | C2 | H4 | 170.9° | 60.0° |
| C1 | C | H8 | H9 | 120.0° | 120.1° |
| C1 | C | H8 | H10 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C | C1 | H12 | H13 | 118.2° | 119.9° |
| C1 | C2 | C3 | H3 | 120.7° | 120.0° |
| C1 | C2 | C3 | H4 | 120.7° | 120.0° |
| C1 | C2 | C3 | C4 | 61.3° | 180.0° |
| C1 | C2 | H3 | H4 | 118.1° | 120.1° |
| C2 | C1 | C | H8 | 180.0° | 180.0° |
| C2 | C1 | C | H9 | 60.0° | 60.0° |
| C2 | C1 | C | H10 | 60.0° | 60.0° |
| C2 | C1 | H12 | H13 | 118.2° | 120.1° |
| C1 | C2 | C3 | H14 | 59.0° | 60.0° |
| C1 | C2 | C3 | H15 | 178.5° | 60.0° |
| C2 | C3 | C4 | C5 | 94.6° | 180.0° |
| C2 | C3 | C4 | H14 | 120.2° | 120.0° |
| C2 | C3 | C4 | H15 | 120.2° | 120.0° |
| C2 | C3 | C4 | H1 | 26.6° | 59.9° |
| C2 | C3 | C4 | H2 | 144.2° | 60.0° |
| C3 | C2 | H3 | H4 | 118.0° | 120.0° |
| C3 | C2 | C1 | H12 | 170.9° | 60.0° |
| C3 | C2 | C1 | H13 | 52.1° | 60.0° |
| C2 | C3 | H14 | H15 | 119.2° | 120.0° |
| C4 | C5 | C6 | H6 | 119.8° | 120.0° |
| C4 | C5 | C6 | H7 | 119.8° | 120.0° |
| C5 | C4 | C3 | H1 | 121.2° | 120.1° |
| C5 | C4 | C3 | H2 | 121.2° | 120.0° |
| C4 | C5 | C6 | O3 | 100.8° | 0.0° |
| C4 | C5 | C6 | N | 74.9° | 180.0° |
| C5 | C4 | H1 | H2 | 116.2° | 120.0° |
| C4 | C5 | H6 | H7 | 120.5° | 120.0° |
| C5 | C4 | C3 | H14 | 25.6° | 60.0° |
| C5 | C4 | C3 | H15 | 145.2° | 60.0° |
| C6 | C5 | C4 | C3 | 75.0° | 180.0° |
| C5 | C6 | O3 | N | 175.6° | 179.9° |
| C5 | C6 | N | C7 | 13.4° | 180.0° |
| C5 | C6 | N | O | 161.9° | 0.0° |
| C6 | C5 | C4 | H1 | 163.8° | 60.0° |
| C6 | C5 | C4 | H2 | 46.2° | 60.0° |
| C6 | C5 | H6 | H7 | 120.5° | 120.0° |
| C3 | C4 | H1 | H2 | 116.3° | 120.0° |
| C4 | C3 | C2 | H3 | 178.1° | 60.0° |
| C4 | C3 | C2 | H4 | 59.4° | 60.0° |
| C3 | C4 | C5 | H6 | 165.1° | 60.0° |
| C3 | C4 | C5 | H7 | 44.8° | 60.0° |
| C4 | C3 | H14 | H15 | 119.3° | 120.0° |
| O1 | C9 | O2 | C8 | 176.7° | 180.0° |
| O1 | C9 | C8 | C7 | 179.2° | 0.0° |
| O1 | C9 | O2 | H5 | 0.0° | 0.0° |
| O1 | C9 | C8 | H18 | 59.2° | 120.0° |
| O1 | C9 | C8 | H19 | 60.8° | 120.0° |
| O2 | C9 | C8 | C7 | 2.5° | 180.0° |
| O2 | C9 | C8 | H18 | 117.6° | 60.0° |
| O2 | C9 | C8 | H19 | 122.5° | 60.0° |
| C9 | C8 | C7 | H18 | 120.0° | 120.0° |
| C9 | C8 | C7 | H19 | 120.0° | 120.0° |
| C9 | C8 | C7 | N | 176.6° | 180.0° |
| C8 | C9 | O2 | H5 | 176.7° | 180.0° |
| C9 | C8 | C7 | H16 | 57.1° | 60.0° |
| C9 | C8 | C7 | H17 | 63.8° | 60.0° |
| C9 | C8 | H18 | H19 | 119.9° | 120.0° |
| O3 | C6 | N | C7 | 171.3° | 0.1° |
| O3 | C6 | N | O | 13.4° | 180.0° |
| O3 | C6 | C5 | H6 | 139.3° | 120.1° |
| O3 | C6 | C5 | H7 | 19.0° | 120.0° |
| C6 | N | C7 | C8 | 92.9° | 75.0° |
| C6 | N | C7 | O | 175.4° | 180.0° |
| N | C6 | C5 | H6 | 45.0° | 60.0° |
| N | C6 | C5 | H7 | 165.3° | 60.0° |
| C6 | N | O | H11 | 5.9° | 180.0° |
| C6 | N | C7 | H16 | 26.7° | 165.1° |
| C6 | N | C7 | H17 | 147.6° | 45.0° |
| C8 | C7 | N | H16 | 119.6° | 120.0° |
| C8 | C7 | N | H17 | 119.6° | 120.0° |
| C8 | C7 | N | O | 91.7° | 105.0° |
| C8 | C7 | H16 | H17 | 121.4° | 120.0° |
| C7 | C8 | H18 | H19 | 119.9° | 120.1° |
| C7 | N | O | H11 | 178.2° | 0.0° |
| N | C7 | H16 | H17 | 121.3° | 120.1° |
| N | C7 | C8 | H18 | 63.3° | 60.0° |
| N | C7 | C8 | H19 | 56.6° | 60.1° |
| O | N | C7 | H16 | 148.8° | 15.0° |
| O | N | C7 | H17 | 27.9° | 135.0° |
| H1 | C4 | C5 | H6 | 44.0° | 60.0° |
| H1 | C4 | C5 | H7 | 76.4° | 180.0° |
| H1 | C4 | C3 | H14 | 146.8° | 179.9° |
| H1 | C4 | C3 | H15 | 93.7° | 60.0° |
| H2 | C4 | C5 | H6 | 73.7° | 180.0° |
| H2 | C4 | C5 | H7 | 166.0° | 60.0° |
| H2 | C4 | C3 | H14 | 95.6° | 60.0° |
| H2 | C4 | C3 | H15 | 24.0° | 179.9° |
| H3 | C2 | C1 | H12 | 68.4° | 60.0° |
| H3 | C2 | C1 | H13 | 172.8° | 180.0° |
| H3 | C2 | C3 | H14 | 61.7° | 60.0° |
| H3 | C2 | C3 | H15 | 57.8° | 180.0° |
| H4 | C2 | C1 | H12 | 50.3° | 180.0° |
| H4 | C2 | C1 | H13 | 68.5° | 60.0° |
| H4 | C2 | C3 | H14 | 179.7° | 180.0° |
| H4 | C2 | C3 | H15 | 60.8° | 60.0° |
| H8 | C | H9 | H10 | 120.0° | 120.0° |
| H8 | C | C1 | H12 | 59.4° | 60.0° |
| H8 | C | C1 | H13 | 59.4° | 59.9° |
| H9 | C | C1 | H12 | 60.6° | 180.0° |
| H9 | C | C1 | H13 | 179.4° | 60.1° |
| H10 | C | C1 | H12 | 179.4° | 60.0° |
| H10 | C | C1 | H13 | 60.6° | 180.0° |
| H16 | C7 | C8 | H18 | 177.1° | 179.9° |
| H16 | C7 | C8 | H19 | 62.9° | 60.0° |
| H17 | C7 | C8 | H18 | 56.2° | 60.0° |
| H17 | C7 | C8 | H19 | 176.2° | 180.0° |
