5EH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.47Å | |
| N02 | C03 | sing | 1.47Å | 1.47Å | |
| N02 | C04 | sing | 1.47Å | 1.47Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | C06 | sing | 1.51Å | 1.51Å | |
| C06 | C07 | doub | 1.34Å | 1.35Å | |
| C07 | C08 | sing | 1.48Å | 1.50Å | |
| C07 | C21 | sing | 1.48Å | 1.50Å | |
| C08 | C09 | doub | 1.40Å | 1.40Å | Aromatic |
| C08 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | O15 | sing | 1.40Å | 1.43Å | |
| O15 | C16 | sing | 1.35Å | 1.38Å | |
| C16 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C03 | H03B | sing | 1.09Å | 1.10Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C04 | H04A | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C05 | H05A | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C09 | H09 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 109.1° | 111.0° |
| C01 | N02 | C04 | 110.0° | 111.0° |
| N02 | C01 | H01 | 109.5° | 109.4° |
| N02 | C01 | H01A | 109.5° | 109.5° |
| N02 | C01 | H01B | 109.4° | 109.4° |
| C03 | N02 | C04 | 110.0° | 111.0° |
| N02 | C03 | H03 | 109.5° | 109.5° |
| N02 | C03 | H03A | 109.5° | 109.5° |
| N02 | C03 | H03B | 109.5° | 109.4° |
| N02 | C04 | C05 | 111.0° | 109.5° |
| N02 | C04 | H04 | 109.0° | 109.4° |
| N02 | C04 | H04A | 109.0° | 109.5° |
| C04 | C05 | C06 | 109.2° | 109.5° |
| C05 | C04 | H04 | 109.0° | 109.4° |
| C05 | C04 | H04A | 109.0° | 109.5° |
| C04 | C05 | H05 | 109.5° | 109.5° |
| C04 | C05 | H05A | 109.5° | 109.5° |
| C05 | C06 | C07 | 123.7° | 120.0° |
| C06 | C05 | H05 | 109.6° | 109.5° |
| C06 | C05 | H05A | 109.5° | 109.4° |
| C05 | C06 | H06 | 118.2° | 120.0° |
| C06 | C07 | C08 | 122.9° | 119.5° |
| C06 | C07 | C21 | 120.1° | 119.5° |
| C07 | C06 | H06 | 118.2° | 120.0° |
| C08 | C07 | C21 | 117.0° | 120.9° |
| C07 | C08 | C09 | 122.0° | 116.3° |
| C07 | C08 | C13 | 117.5° | 123.8° |
| C07 | C21 | C16 | 122.4° | 116.7° |
| C07 | C21 | C20 | 118.0° | 122.3° |
| C09 | C08 | C13 | 120.3° | 119.9° |
| C08 | C09 | C10 | 119.6° | 120.8° |
| C08 | C09 | H09 | 120.2° | 119.6° |
| C08 | C13 | C12 | 120.3° | 118.6° |
| C08 | C13 | C14 | 118.4° | 126.4° |
| C09 | C10 | C11 | 120.0° | 119.4° |
| C10 | C09 | H09 | 120.2° | 119.6° |
| C09 | C10 | H10 | 120.0° | 120.3° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C11 | C10 | H10 | 120.0° | 120.3° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | C13 | 119.7° | 121.4° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.1° | 119.2° |
| C12 | C13 | C14 | 121.3° | 115.1° |
| C13 | C12 | H12 | 120.2° | 119.4° |
| C13 | C14 | O15 | 109.6° | 114.9° |
| C13 | C14 | H14 | 109.4° | 108.4° |
| C13 | C14 | H14A | 109.4° | 108.4° |
| C14 | O15 | C16 | 125.6° | 120.7° |
| O15 | C14 | H14 | 109.4° | 108.4° |
| O15 | C14 | H14A | 109.4° | 108.4° |
| O15 | C16 | C17 | 116.3° | 120.8° |
| O15 | C16 | C21 | 124.5° | 120.0° |
| C17 | C16 | C21 | 119.1° | 119.3° |
| C16 | C17 | C18 | 121.1° | 119.7° |
| C16 | C17 | H17 | 119.5° | 120.1° |
| C16 | C21 | C20 | 119.6° | 121.0° |
| C17 | C18 | C19 | 119.7° | 120.7° |
| C18 | C17 | H17 | 119.5° | 120.2° |
| C17 | C18 | H18 | 120.2° | 119.6° |
| C18 | C19 | C20 | 119.6° | 120.1° |
| C19 | C18 | H18 | 120.2° | 119.6° |
| C18 | C19 | H19 | 120.2° | 119.9° |
| C19 | C20 | C21 | 121.0° | 119.2° |
| C20 | C19 | H19 | 120.2° | 120.0° |
| C19 | C20 | H20 | 119.5° | 120.4° |
| C21 | C20 | H20 | 119.5° | 120.3° |
| H01 | C01 | H01A | 109.5° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| H03 | C03 | H03A | 109.5° | 109.5° |
| H03 | C03 | H03B | 109.5° | 109.4° |
| H03A | C03 | H03B | 109.5° | 109.5° |
| H04 | C04 | H04A | 110.0° | 109.5° |
| H05 | C05 | H05A | 109.4° | 109.5° |
| H14 | C14 | H14A | 109.5° | 108.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 120.6° | 123.9° |
| C01 | N02 | C04 | C05 | 116.9° | 66.1° |
| N02 | C01 | H01 | H01A | 120.0° | 120.0° |
| N02 | C01 | H01 | H01B | 120.0° | 120.0° |
| N02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | N02 | C03 | H03 | 180.0° | 63.9° |
| C01 | N02 | C03 | H03A | 60.0° | 176.1° |
| C01 | N02 | C03 | H03B | 60.0° | 56.0° |
| C01 | N02 | C04 | H04 | 3.1° | 174.0° |
| C01 | N02 | C04 | H04A | 123.1° | 54.0° |
| C03 | N02 | C04 | C05 | 123.0° | 170.0° |
| C03 | N02 | C01 | H01 | 180.0° | 60.0° |
| C03 | N02 | C01 | H01A | 60.0° | 180.0° |
| C03 | N02 | C01 | H01B | 60.0° | 60.0° |
| N02 | C03 | H03 | H03A | 120.0° | 120.0° |
| N02 | C03 | H03 | H03B | 120.0° | 120.0° |
| N02 | C03 | H03A | H03B | 120.0° | 120.0° |
| C03 | N02 | C04 | H04 | 117.0° | 50.1° |
| C03 | N02 | C04 | H04A | 3.0° | 69.9° |
| N02 | C04 | C05 | H04 | 120.0° | 119.9° |
| N02 | C04 | C05 | H04A | 120.0° | 120.1° |
| N02 | C04 | C05 | C06 | 107.7° | 180.0° |
| C04 | N02 | C01 | H01 | 59.3° | 176.1° |
| C04 | N02 | C01 | H01A | 179.3° | 56.1° |
| C04 | N02 | C01 | H01B | 60.7° | 63.9° |
| C04 | N02 | C03 | H03 | 59.3° | 60.0° |
| C04 | N02 | C03 | H03A | 60.7° | 60.0° |
| C04 | N02 | C03 | H03B | 179.4° | 179.9° |
| N02 | C04 | H04 | H04A | 119.4° | 120.0° |
| N02 | C04 | C05 | H05 | 132.3° | 60.0° |
| N02 | C04 | C05 | H05A | 12.2° | 60.0° |
| C04 | C05 | C06 | H05 | 120.0° | 120.0° |
| C04 | C05 | C06 | H05A | 120.0° | 120.0° |
| C04 | C05 | C06 | C07 | 112.8° | 127.0° |
| C05 | C04 | H04 | H04A | 119.4° | 120.0° |
| C04 | C05 | H05 | H05A | 120.1° | 120.0° |
| C04 | C05 | C06 | H06 | 67.2° | 53.0° |
| C05 | C06 | C07 | H06 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.1° | 8.1° |
| C05 | C06 | C07 | C21 | 180.0° | 172.2° |
| C06 | C05 | C04 | H04 | 12.3° | 60.0° |
| C06 | C05 | C04 | H04A | 132.3° | 60.0° |
| C06 | C05 | H05 | H05A | 120.1° | 120.0° |
| C06 | C07 | C08 | C21 | 179.0° | 179.7° |
| C06 | C07 | C08 | C09 | 68.6° | 42.6° |
| C06 | C07 | C08 | C13 | 115.4° | 137.4° |
| C06 | C07 | C21 | C16 | 129.1° | 120.8° |
| C06 | C07 | C21 | C20 | 51.8° | 58.6° |
| C07 | C06 | C05 | H05 | 7.2° | 7.0° |
| C07 | C06 | C05 | H05A | 127.2° | 113.0° |
| C07 | C08 | C09 | C13 | 175.9° | 179.9° |
| C07 | C08 | C09 | C10 | 177.9° | 179.8° |
| C07 | C08 | C13 | C12 | 178.0° | 179.7° |
| C07 | C08 | C13 | C14 | 3.1° | 0.5° |
| C08 | C07 | C21 | C16 | 49.9° | 59.5° |
| C08 | C07 | C21 | C20 | 129.1° | 121.1° |
| C08 | C07 | C06 | H06 | 179.0° | 171.9° |
| C07 | C08 | C09 | H09 | 2.1° | 0.1° |
| C21 | C07 | C08 | C09 | 112.4° | 137.1° |
| C21 | C07 | C08 | C13 | 63.6° | 43.0° |
| C07 | C21 | C16 | O15 | 0.1° | 2.5° |
| C07 | C21 | C16 | C17 | 179.1° | 178.0° |
| C07 | C21 | C16 | C20 | 179.1° | 179.4° |
| C07 | C21 | C20 | C19 | 179.3° | 178.6° |
| C21 | C07 | C06 | H06 | 0.0° | 7.7° |
| C07 | C21 | C20 | H20 | 0.7° | 1.5° |
| C08 | C09 | C10 | H09 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 1.0° | 0.0° |
| C09 | C08 | C13 | C12 | 2.0° | 0.2° |
| C09 | C08 | C13 | C14 | 179.1° | 179.6° |
| C08 | C09 | C10 | H10 | 179.1° | 180.0° |
| C13 | C08 | C09 | C10 | 2.0° | 0.1° |
| C08 | C13 | C12 | C11 | 0.8° | 0.1° |
| C08 | C13 | C12 | C14 | 178.9° | 179.8° |
| C08 | C13 | C14 | O15 | 72.4° | 11.8° |
| C13 | C08 | C09 | H09 | 177.9° | 179.9° |
| C08 | C13 | C12 | H12 | 179.2° | 179.8° |
| C08 | C13 | C14 | H14 | 167.6° | 133.2° |
| C08 | C13 | C14 | H14A | 47.6° | 109.5° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C09 | C10 | C11 | C12 | 0.2° | 0.1° |
| C09 | C10 | C11 | H11 | 179.8° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C11 | C10 | C09 | H09 | 179.0° | 179.9° |
| C10 | C11 | C12 | H12 | 179.8° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 179.7° | 179.7° |
| C12 | C11 | C10 | H10 | 179.8° | 179.9° |
| C12 | C13 | C14 | O15 | 108.7° | 168.4° |
| C13 | C12 | C11 | H11 | 179.8° | 180.0° |
| C12 | C13 | C14 | H14 | 11.3° | 47.0° |
| C12 | C13 | C14 | H14A | 131.3° | 70.2° |
| C13 | C14 | O15 | H14 | 120.0° | 121.4° |
| C13 | C14 | O15 | H14A | 120.0° | 121.4° |
| C13 | C14 | O15 | C16 | 66.1° | 69.9° |
| C14 | C13 | C12 | H12 | 0.3° | 0.4° |
| C13 | C14 | H14 | H14A | 119.9° | 117.4° |
| C14 | O15 | C16 | C17 | 170.6° | 106.6° |
| C14 | O15 | C16 | C21 | 10.3° | 72.8° |
| O15 | C14 | H14 | H14A | 119.9° | 117.3° |
| O15 | C16 | C17 | C21 | 179.1° | 179.5° |
| O15 | C16 | C17 | C18 | 179.3° | 178.5° |
| O15 | C16 | C21 | C20 | 179.0° | 178.1° |
| C16 | O15 | C14 | H14 | 174.0° | 168.7° |
| C16 | O15 | C14 | H14A | 53.9° | 51.5° |
| O15 | C16 | C17 | H17 | 0.7° | 1.5° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C17 | C16 | C21 | C20 | 0.0° | 1.4° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C21 | C16 | C17 | C18 | 0.2° | 1.0° |
| C16 | C21 | C20 | C19 | 0.2° | 0.8° |
| C21 | C16 | C17 | H17 | 179.8° | 179.0° |
| C16 | C21 | C20 | H20 | 179.8° | 179.1° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.6° |
| C17 | C18 | C19 | H19 | 180.0° | 179.4° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.3° |
| C19 | C18 | C17 | H17 | 179.8° | 180.0° |
| C18 | C19 | C20 | H20 | 179.8° | 179.8° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 180.0° | 179.3° |
| C21 | C20 | C19 | H19 | 179.8° | 179.8° |
| H01 | C01 | H01A | H01B | 120.0° | 120.1° |
| H03 | C03 | H03A | H03B | 120.0° | 120.0° |
| H04 | C04 | C05 | H05 | 107.7° | 180.0° |
| H04 | C04 | C05 | H05A | 132.2° | 59.9° |
| H04A | C04 | C05 | H05 | 12.3° | 60.0° |
| H04A | C04 | C05 | H05A | 107.8° | 180.0° |
| H05 | C05 | C06 | H06 | 172.9° | 173.0° |
| H05A | C05 | C06 | H06 | 52.8° | 67.0° |
| H09 | C09 | C10 | H10 | 1.0° | 0.1° |
| H10 | C10 | C11 | H11 | 0.2° | 0.0° |
| H11 | C11 | C12 | H12 | 0.2° | 0.1° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| H18 | C18 | C19 | H19 | 0.0° | 0.6° |
| H19 | C19 | C20 | H20 | 0.2° | 0.2° |
