5HO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C4 | sing | 1.74Å | 1.74Å | |
| C4 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C1 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | N | sing | 1.39Å | 1.40Å | |
| N | C | sing | 1.35Å | 1.36Å | |
| O1 | C6 | doub | 1.21Å | 1.22Å | |
| C | C6 | sing | 1.49Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C7 | sing | 1.47Å | 1.46Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| C7 | C8 | sing | 1.55Å | 1.52Å | |
| C10 | C9 | sing | 1.54Å | 1.51Å | |
| C9 | C8 | sing | 1.55Å | 1.47Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| C3 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C4 | C3 | 119.9° | 120.4° |
| CL | C4 | C5 | 120.5° | 120.3° |
| C3 | C4 | C5 | 119.6° | 119.3° |
| C4 | C3 | C2 | 119.0° | 118.5° |
| C4 | C3 | H11 | 120.5° | 120.8° |
| C4 | C5 | N1 | 122.3° | 120.8° |
| C4 | C5 | H1 | 118.8° | 119.6° |
| C3 | C2 | C1 | 118.4° | 119.1° |
| C2 | C3 | H11 | 120.5° | 120.8° |
| C3 | C2 | H12 | 120.8° | 120.4° |
| C5 | N1 | C1 | 118.1° | 121.7° |
| N1 | C5 | H1 | 118.9° | 119.6° |
| C2 | C1 | N1 | 122.6° | 120.6° |
| C2 | C1 | N | 120.8° | 119.7° |
| C1 | C2 | H12 | 120.8° | 120.4° |
| N1 | C1 | N | 116.5° | 119.7° |
| C1 | N | C | 127.0° | 120.0° |
| C1 | N | H10 | 116.5° | 120.0° |
| N | C | C6 | 112.6° | 120.1° |
| N | C | O | 125.7° | 119.9° |
| C | N | H10 | 116.5° | 120.0° |
| O1 | C6 | C | 119.1° | 120.0° |
| O1 | C6 | N2 | 122.8° | 120.0° |
| C6 | C | O | 121.7° | 120.0° |
| C | C6 | N2 | 118.1° | 120.0° |
| C6 | N2 | C7 | 124.4° | 125.6° |
| C6 | N2 | C10 | 124.6° | 125.7° |
| C7 | N2 | C10 | 111.0° | 108.7° |
| N2 | C7 | C8 | 103.6° | 104.8° |
| N2 | C7 | H2 | 110.9° | 110.4° |
| N2 | C7 | H3 | 110.9° | 110.4° |
| N2 | C10 | C9 | 103.5° | 107.3° |
| N2 | C10 | H8 | 111.0° | 109.9° |
| N2 | C10 | H9 | 111.0° | 109.9° |
| C7 | C8 | C9 | 105.4° | 101.6° |
| C8 | C7 | H2 | 110.9° | 110.4° |
| C8 | C7 | H3 | 110.9° | 110.3° |
| C7 | C8 | H4 | 110.5° | 111.0° |
| C7 | C8 | H5 | 110.5° | 111.0° |
| C10 | C9 | C8 | 104.0° | 102.9° |
| C10 | C9 | H6 | 110.8° | 110.8° |
| C10 | C9 | H7 | 110.8° | 110.9° |
| C9 | C10 | H8 | 110.9° | 109.9° |
| C9 | C10 | H9 | 110.9° | 109.8° |
| C9 | C8 | H4 | 110.5° | 111.0° |
| C9 | C8 | H5 | 110.5° | 111.0° |
| C8 | C9 | H6 | 110.8° | 110.7° |
| C8 | C9 | H7 | 110.9° | 110.7° |
| H2 | C7 | H3 | 109.5° | 110.4° |
| H4 | C8 | H5 | 109.5° | 110.9° |
| H6 | C9 | H7 | 109.5° | 110.6° |
| H8 | C10 | H9 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C4 | C3 | C5 | 179.3° | 179.8° |
| CL | C4 | C3 | C2 | 179.0° | 179.7° |
| CL | C4 | C5 | N1 | 179.3° | 179.7° |
| CL | C4 | C5 | H1 | 0.7° | 0.2° |
| CL | C4 | C3 | H11 | 1.0° | 0.3° |
| C4 | C3 | C2 | H11 | 180.0° | 180.0° |
| C3 | C4 | C5 | N1 | 0.1° | 0.1° |
| C4 | C3 | C2 | C1 | 0.7° | 0.0° |
| C3 | C4 | C5 | H1 | 180.0° | 180.0° |
| C4 | C3 | C2 | H12 | 179.3° | 179.9° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | N1 | H1 | 180.0° | 179.9° |
| C4 | C5 | N1 | C1 | 0.0° | 0.1° |
| C5 | C4 | C3 | H11 | 179.7° | 180.0° |
| C3 | C2 | C1 | H12 | 180.0° | 179.9° |
| C3 | C2 | C1 | N1 | 0.8° | 0.0° |
| C3 | C2 | C1 | N | 175.7° | 180.0° |
| C5 | N1 | C1 | C2 | 0.5° | 0.0° |
| C5 | N1 | C1 | N | 176.2° | 179.9° |
| C2 | C1 | N1 | N | 176.7° | 180.0° |
| C2 | C1 | N | C | 66.9° | 174.9° |
| C2 | C1 | N | H10 | 113.1° | 5.1° |
| C1 | C2 | C3 | H11 | 179.3° | 180.0° |
| N1 | C1 | N | C | 109.8° | 5.1° |
| C1 | N1 | C5 | H1 | 179.9° | 180.0° |
| N1 | C1 | N | H10 | 70.2° | 174.9° |
| N1 | C1 | C2 | H12 | 179.2° | 179.9° |
| C1 | N | C | H10 | 180.0° | 180.0° |
| C1 | N | C | C6 | 179.7° | 174.9° |
| C1 | N | C | O | 0.5° | 5.1° |
| N | C1 | C2 | H12 | 4.3° | 0.1° |
| N | C | C6 | O1 | 42.9° | 0.0° |
| N | C | C6 | O | 179.3° | 179.9° |
| N | C | C6 | N2 | 137.4° | 180.0° |
| O1 | C6 | C | N2 | 179.7° | 180.0° |
| O1 | C6 | C | O | 136.4° | 179.9° |
| O1 | C6 | N2 | C7 | 0.9° | 0.0° |
| O1 | C6 | N2 | C10 | 179.4° | 179.9° |
| C | C6 | N2 | C7 | 178.8° | 180.0° |
| C | C6 | N2 | C10 | 0.9° | 0.0° |
| C6 | C | N | H10 | 0.3° | 5.1° |
| O | C | C6 | N2 | 43.3° | 0.0° |
| O | C | N | H10 | 179.5° | 174.9° |
| C6 | N2 | C7 | C10 | 179.7° | 180.0° |
| C6 | N2 | C7 | C8 | 174.1° | 155.9° |
| C6 | N2 | C10 | C9 | 164.3° | 179.0° |
| C6 | N2 | C7 | H2 | 66.8° | 85.3° |
| C6 | N2 | C7 | H3 | 55.1° | 37.0° |
| C6 | N2 | C10 | H8 | 76.7° | 61.6° |
| C6 | N2 | C10 | H9 | 45.3° | 59.6° |
| N2 | C7 | C8 | H2 | 119.1° | 118.9° |
| N2 | C7 | C8 | H3 | 119.1° | 118.9° |
| C7 | N2 | C10 | C9 | 16.0° | 1.1° |
| N2 | C7 | C8 | C9 | 25.8° | 37.0° |
| N2 | C7 | H2 | H3 | 122.8° | 122.4° |
| N2 | C7 | C8 | H4 | 145.2° | 81.0° |
| N2 | C7 | C8 | H5 | 93.5° | 155.1° |
| C7 | N2 | C10 | H8 | 103.1° | 118.4° |
| C7 | N2 | C10 | H9 | 135.0° | 120.5° |
| C10 | N2 | C7 | C8 | 5.6° | 24.2° |
| N2 | C10 | C9 | H8 | 119.0° | 119.5° |
| N2 | C10 | C9 | H9 | 119.1° | 119.4° |
| N2 | C10 | C9 | C8 | 31.7° | 22.2° |
| C10 | N2 | C7 | H2 | 113.4° | 94.7° |
| C10 | N2 | C7 | H3 | 124.7° | 143.0° |
| N2 | C10 | C9 | H6 | 150.8° | 140.5° |
| N2 | C10 | C9 | H7 | 87.4° | 96.3° |
| N2 | C10 | H8 | H9 | 122.8° | 121.1° |
| C7 | C8 | C9 | C10 | 36.0° | 35.5° |
| C7 | C8 | C9 | H4 | 119.3° | 118.1° |
| C7 | C8 | C9 | H5 | 119.3° | 118.1° |
| C8 | C7 | H2 | H3 | 122.7° | 122.2° |
| C7 | C8 | H4 | H5 | 121.9° | 123.9° |
| C7 | C8 | C9 | H6 | 155.1° | 153.9° |
| C7 | C8 | C9 | H7 | 83.2° | 83.0° |
| C10 | C9 | C8 | H6 | 119.1° | 118.4° |
| C10 | C9 | C8 | H7 | 119.1° | 118.5° |
| C10 | C9 | C8 | H4 | 155.3° | 82.6° |
| C10 | C9 | C8 | H5 | 83.4° | 153.6° |
| C10 | C9 | H6 | H7 | 122.5° | 123.3° |
| C9 | C10 | H8 | H9 | 122.8° | 121.0° |
| C9 | C8 | C7 | H2 | 93.2° | 81.8° |
| C9 | C8 | C7 | H3 | 144.9° | 155.9° |
| C9 | C8 | H4 | H5 | 121.9° | 123.9° |
| C8 | C9 | H6 | H7 | 122.6° | 123.1° |
| C8 | C9 | C10 | H8 | 87.3° | 141.6° |
| C8 | C9 | C10 | H9 | 150.8° | 97.3° |
| H2 | C7 | C8 | H4 | 26.1° | 160.1° |
| H2 | C7 | C8 | H5 | 147.5° | 36.3° |
| H3 | C7 | C8 | H4 | 95.7° | 37.9° |
| H3 | C7 | C8 | H5 | 25.6° | 86.0° |
| H4 | C8 | C9 | H6 | 85.6° | 35.8° |
| H4 | C8 | C9 | H7 | 36.2° | 158.9° |
| H5 | C8 | C9 | H6 | 35.7° | 88.1° |
| H5 | C8 | C9 | H7 | 157.5° | 35.0° |
| H6 | C9 | C10 | H8 | 31.8° | 100.0° |
| H6 | C9 | C10 | H9 | 90.1° | 21.1° |
| H7 | C9 | C10 | H8 | 153.5° | 23.2° |
| H7 | C9 | C10 | H9 | 31.6° | 144.3° |
| H11 | C3 | C2 | H12 | 0.7° | 0.0° |
