OH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C09 | O10 | sing | 1.43Å | 1.41Å | |
| C09 | C08 | sing | 1.51Å | 1.53Å | |
| N07 | C08 | sing | 1.34Å | 1.33Å | Aromatic |
| N07 | C06 | doub | 1.31Å | 1.36Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.42Å | |
| C08 | C11 | doub | 1.35Å | 1.38Å | Aromatic |
| O02 | C03 | sing | 1.43Å | 1.41Å | |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C06 | N12 | sing | 1.35Å | 1.33Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C03 | C13 | sing | 1.51Å | 1.53Å | |
| C11 | N12 | sing | 1.37Å | 1.32Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C09 | H14 | sing | 1.09Å | 1.10Å | |
| O10 | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C09 | C08 | 111.6° | 109.5° |
| O10 | C09 | H13 | 108.9° | 109.5° |
| O10 | C09 | H14 | 108.9° | 109.5° |
| C09 | O10 | H15 | 109.5° | 114.0° |
| C09 | C08 | N07 | 125.1° | 126.0° |
| C09 | C08 | C11 | 127.8° | 126.0° |
| C08 | C09 | H13 | 109.0° | 109.5° |
| C08 | C09 | H14 | 108.9° | 109.4° |
| C08 | N07 | C06 | 108.0° | 109.3° |
| N07 | C08 | C11 | 107.1° | 108.0° |
| N07 | C06 | C05 | 126.4° | 125.6° |
| N07 | C06 | N12 | 108.2° | 108.7° |
| C01 | O02 | C03 | 118.0° | 114.0° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.5° | 109.5° |
| O02 | C01 | H6 | 109.5° | 109.4° |
| C08 | C11 | N12 | 107.9° | 106.8° |
| C08 | C11 | H16 | 126.0° | 126.6° |
| O02 | C03 | C04 | 106.0° | 109.4° |
| O02 | C03 | C13 | 106.9° | 109.4° |
| O02 | C03 | H7 | 110.1° | 109.5° |
| C06 | C05 | C04 | 112.8° | 109.5° |
| C05 | C06 | N12 | 125.4° | 125.6° |
| C06 | C05 | H10 | 108.6° | 109.4° |
| C06 | C05 | H11 | 108.6° | 109.4° |
| C05 | C04 | C03 | 114.4° | 109.5° |
| C05 | C04 | H8 | 108.2° | 109.5° |
| C05 | C04 | H9 | 108.2° | 109.5° |
| C04 | C05 | H10 | 108.6° | 109.5° |
| C04 | C05 | H11 | 108.6° | 109.5° |
| C06 | N12 | C11 | 108.8° | 107.2° |
| C06 | N12 | H1 | 125.6° | 126.4° |
| C04 | C03 | C13 | 116.6° | 109.5° |
| C04 | C03 | H7 | 108.5° | 109.5° |
| C03 | C04 | H8 | 108.2° | 109.5° |
| C03 | C04 | H9 | 108.2° | 109.4° |
| C03 | C13 | C18 | 118.6° | 120.0° |
| C03 | C13 | C14 | 121.7° | 120.0° |
| C13 | C03 | H7 | 108.5° | 109.5° |
| C11 | N12 | H1 | 125.6° | 126.4° |
| N12 | C11 | H16 | 126.0° | 126.6° |
| C18 | C13 | C14 | 119.7° | 120.0° |
| C13 | C18 | C17 | 119.6° | 120.0° |
| C13 | C18 | H19 | 120.2° | 120.0° |
| C13 | C14 | C15 | 120.7° | 120.0° |
| C13 | C14 | H17 | 119.7° | 120.0° |
| C18 | C17 | C16 | 120.4° | 120.0° |
| C18 | C17 | H3 | 119.8° | 120.0° |
| C17 | C18 | H19 | 120.2° | 120.0° |
| C14 | C15 | C16 | 119.6° | 120.0° |
| C14 | C15 | H2 | 120.2° | 120.0° |
| C15 | C14 | H17 | 119.7° | 120.0° |
| C17 | C16 | C15 | 120.1° | 120.0° |
| C16 | C17 | H3 | 119.8° | 120.0° |
| C17 | C16 | H18 | 119.9° | 120.0° |
| C16 | C15 | H2 | 120.2° | 120.0° |
| C15 | C16 | H18 | 120.0° | 120.0° |
| H4 | C01 | H5 | 109.5° | 109.4° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.5° | 109.5° |
| H10 | C05 | H11 | 109.4° | 109.4° |
| H13 | C09 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C09 | C08 | H13 | 120.3° | 120.0° |
| O10 | C09 | C08 | H14 | 120.3° | 120.0° |
| O10 | C09 | C08 | N07 | 172.4° | 180.0° |
| O10 | C09 | C08 | C11 | 7.5° | 0.3° |
| O10 | C09 | H13 | H14 | 119.0° | 120.0° |
| C09 | C08 | N07 | C11 | 179.9° | 179.7° |
| C09 | C08 | N07 | C06 | 179.7° | 180.0° |
| C09 | C08 | C11 | N12 | 179.5° | 179.9° |
| C08 | C09 | H13 | H14 | 119.1° | 120.0° |
| C08 | C09 | O10 | H15 | 180.0° | 180.0° |
| C09 | C08 | C11 | H16 | 0.5° | 0.2° |
| C08 | N07 | C06 | C05 | 180.0° | 180.0° |
| C08 | N07 | C06 | N12 | 0.1° | 0.0° |
| N07 | C08 | C11 | N12 | 0.4° | 0.4° |
| N07 | C08 | C09 | H13 | 67.2° | 60.0° |
| N07 | C08 | C09 | H14 | 52.1° | 60.0° |
| N07 | C08 | C11 | H16 | 179.6° | 180.0° |
| C06 | N07 | C08 | C11 | 0.2° | 0.3° |
| N07 | C06 | C05 | N12 | 179.9° | 180.0° |
| N07 | C06 | C05 | C04 | 99.3° | 55.0° |
| N07 | C06 | N12 | C11 | 0.3° | 0.3° |
| N07 | C06 | N12 | H1 | 179.7° | 180.0° |
| N07 | C06 | C05 | H10 | 21.2° | 175.0° |
| N07 | C06 | C05 | H11 | 140.1° | 65.1° |
| C01 | O02 | C03 | C04 | 173.0° | 150.0° |
| C01 | O02 | C03 | C13 | 61.8° | 90.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.0° |
| O02 | C01 | H4 | H6 | 120.0° | 120.0° |
| O02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | O02 | C03 | H7 | 55.9° | 30.0° |
| C08 | C11 | N12 | C06 | 0.4° | 0.4° |
| C08 | C11 | N12 | H16 | 180.0° | 179.6° |
| C08 | C11 | N12 | H1 | 179.5° | 179.9° |
| C11 | C08 | C09 | H13 | 112.8° | 120.3° |
| C11 | C08 | C09 | H14 | 127.8° | 119.7° |
| O02 | C03 | C04 | C05 | 145.8° | 65.0° |
| O02 | C03 | C04 | C13 | 118.9° | 120.0° |
| O02 | C03 | C04 | H7 | 118.3° | 120.0° |
| O02 | C03 | C13 | H7 | 118.8° | 120.0° |
| O02 | C03 | C13 | C18 | 105.3° | 145.0° |
| O02 | C03 | C13 | C14 | 72.9° | 34.7° |
| C03 | O02 | C01 | H4 | 180.0° | 179.9° |
| C03 | O02 | C01 | H5 | 60.0° | 60.0° |
| C03 | O02 | C01 | H6 | 60.0° | 60.0° |
| O02 | C03 | C04 | H8 | 93.4° | 55.0° |
| O02 | C03 | C04 | H9 | 25.1° | 174.9° |
| C06 | C05 | C04 | H10 | 120.5° | 120.0° |
| C06 | C05 | C04 | H11 | 120.5° | 120.0° |
| C06 | C05 | C04 | C03 | 179.8° | 180.0° |
| C05 | C06 | N12 | C11 | 179.7° | 179.7° |
| C05 | C06 | N12 | H1 | 0.3° | 0.0° |
| C06 | C05 | C04 | H8 | 59.5° | 60.0° |
| C06 | C05 | C04 | H9 | 59.1° | 60.0° |
| C06 | C05 | H10 | H11 | 118.4° | 119.9° |
| C04 | C05 | C06 | N12 | 80.7° | 125.0° |
| C05 | C04 | C03 | H8 | 120.7° | 120.0° |
| C05 | C04 | C03 | H9 | 120.7° | 120.1° |
| C05 | C04 | C03 | C13 | 95.2° | 175.0° |
| C05 | C04 | C03 | H7 | 27.6° | 55.0° |
| C05 | C04 | H8 | H9 | 117.7° | 120.1° |
| C04 | C05 | H10 | H11 | 118.5° | 120.1° |
| C06 | N12 | C11 | H1 | 180.0° | 179.7° |
| N12 | C06 | C05 | H10 | 158.8° | 5.0° |
| N12 | C06 | C05 | H11 | 39.8° | 114.9° |
| C06 | N12 | C11 | H16 | 179.6° | 180.0° |
| C04 | C03 | C13 | H7 | 122.8° | 120.0° |
| C04 | C03 | C13 | C18 | 136.3° | 95.0° |
| C04 | C03 | C13 | C14 | 45.5° | 85.3° |
| C03 | C04 | H8 | H9 | 117.8° | 119.9° |
| C03 | C04 | C05 | H10 | 59.3° | 60.0° |
| C03 | C04 | C05 | H11 | 59.7° | 60.0° |
| C03 | C13 | C18 | C14 | 178.2° | 179.7° |
| C03 | C13 | C18 | C17 | 179.0° | 179.7° |
| C03 | C13 | C14 | C15 | 178.8° | 179.7° |
| C13 | C03 | C04 | H8 | 25.5° | 65.0° |
| C13 | C03 | C04 | H9 | 144.0° | 55.0° |
| C03 | C13 | C14 | H17 | 1.2° | 0.3° |
| C03 | C13 | C18 | H19 | 1.0° | 0.2° |
| C13 | C18 | C17 | H19 | 180.0° | 180.0° |
| C18 | C13 | C14 | C15 | 0.6° | 0.0° |
| C13 | C18 | C17 | C16 | 0.3° | 0.0° |
| C13 | C18 | C17 | H3 | 179.7° | 179.9° |
| C18 | C13 | C03 | H7 | 13.5° | 25.0° |
| C18 | C13 | C14 | H17 | 179.3° | 180.0° |
| C14 | C13 | C18 | C17 | 0.8° | 0.0° |
| C13 | C14 | C15 | H17 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H2 | 180.0° | 179.9° |
| C14 | C13 | C03 | H7 | 168.3° | 154.7° |
| C14 | C13 | C18 | H19 | 179.2° | 180.0° |
| C18 | C17 | C16 | H3 | 180.0° | 179.8° |
| C18 | C17 | C16 | C15 | 0.3° | 0.1° |
| C18 | C17 | C16 | H18 | 179.6° | 179.9° |
| C14 | C15 | C16 | C17 | 0.5° | 0.1° |
| C14 | C15 | C16 | H2 | 180.0° | 179.9° |
| C14 | C15 | C16 | H18 | 179.5° | 179.9° |
| C17 | C16 | C15 | H18 | 180.0° | 180.0° |
| C17 | C16 | C15 | H2 | 179.5° | 180.0° |
| C16 | C17 | C18 | H19 | 179.7° | 179.9° |
| C15 | C16 | C17 | H3 | 179.6° | 179.9° |
| C16 | C15 | C14 | H17 | 179.9° | 180.0° |
| H1 | N12 | C11 | H16 | 0.5° | 0.3° |
| H2 | C15 | C14 | H17 | 0.1° | 0.1° |
| H2 | C15 | C16 | H18 | 0.5° | 0.0° |
| H3 | C17 | C16 | H18 | 0.4° | 0.1° |
| H3 | C17 | C18 | H19 | 0.3° | 0.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H7 | C03 | C04 | H8 | 148.3° | 175.0° |
| H7 | C03 | C04 | H9 | 93.1° | 65.0° |
| H8 | C04 | C05 | H10 | 180.0° | 180.0° |
| H8 | C04 | C05 | H11 | 61.0° | 60.0° |
| H9 | C04 | C05 | H10 | 61.5° | 60.0° |
| H9 | C04 | C05 | H11 | 179.6° | NaN° |
| H13 | C09 | O10 | H15 | 59.6° | 60.0° |
| H14 | C09 | O10 | H15 | 59.7° | 60.0° |
