C23
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C14 | doub | 1.21Å | 1.21Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C2 | sing | 1.42Å | 1.50Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | O | sing | 1.35Å | 1.27Å | Aromatic |
| C2 | C1 | doub | 1.36Å | 1.42Å | Aromatic |
| O | C3 | sing | 1.35Å | 1.34Å | Aromatic |
| C3 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C1 | sing | 1.42Å | 1.42Å | Aromatic |
| C13 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | O1 | sing | 1.36Å | 1.39Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O1 | C8 | sing | 1.43Å | 1.46Å | |
| C8 | C12 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | N | sing | 1.47Å | 1.47Å | |
| N | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C | HC3 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C14 | C15 | 121.4° | 119.9° |
| O2 | C14 | C2 | 116.2° | 120.0° |
| C15 | C14 | C2 | 122.4° | 120.0° |
| C14 | C15 | C16 | 110.2° | 109.5° |
| C14 | C15 | H151 | 109.3° | 109.5° |
| C14 | C15 | H152 | 109.3° | 109.4° |
| C14 | C2 | O | 117.2° | 125.3° |
| C14 | C2 | C1 | 132.2° | 125.3° |
| C15 | C16 | C17 | 112.8° | 109.5° |
| C16 | C15 | H151 | 109.3° | 109.5° |
| C16 | C15 | H152 | 109.3° | 109.5° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.5° |
| C16 | C17 | C22 | 121.4° | 120.0° |
| C16 | C17 | C18 | 119.4° | 120.0° |
| C17 | C16 | H161 | 108.6° | 109.4° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C22 | C17 | C18 | 119.2° | 120.0° |
| C17 | C22 | C21 | 119.6° | 120.0° |
| C17 | C22 | H22 | 120.2° | 120.0° |
| C17 | C18 | C19 | 120.8° | 120.0° |
| C17 | C18 | H18 | 119.6° | 120.1° |
| C22 | C21 | C20 | 121.2° | 120.1° |
| C21 | C22 | H22 | 120.2° | 120.0° |
| C22 | C21 | H21 | 119.4° | 120.0° |
| C21 | C20 | C19 | 118.6° | 119.9° |
| C20 | C21 | H21 | 119.4° | 120.0° |
| C21 | C20 | H20 | 120.7° | 120.0° |
| C20 | C19 | C18 | 120.5° | 120.0° |
| C19 | C20 | H20 | 120.7° | 120.0° |
| C20 | C19 | H19 | 119.7° | 120.0° |
| C19 | C18 | H18 | 119.6° | 120.0° |
| C18 | C19 | H19 | 119.8° | 120.0° |
| O | C2 | C1 | 110.5° | 109.4° |
| C2 | O | C3 | 108.7° | 109.8° |
| C2 | C1 | C13 | 107.0° | 106.9° |
| C2 | C1 | C | 133.4° | 126.6° |
| O | C3 | C13 | 111.9° | 107.5° |
| O | C3 | C4 | 124.8° | 133.0° |
| C13 | C3 | C4 | 123.3° | 119.5° |
| C3 | C13 | C1 | 101.8° | 106.4° |
| C3 | C13 | C7 | 119.2° | 119.8° |
| C3 | C4 | C5 | 117.2° | 120.1° |
| C3 | C4 | H4 | 121.4° | 119.9° |
| C1 | C13 | C7 | 139.0° | 133.7° |
| C13 | C1 | C | 119.5° | 126.6° |
| C13 | C7 | C6 | 117.1° | 119.5° |
| C13 | C7 | O1 | 121.9° | 120.2° |
| C1 | C | HC1 | 109.5° | 109.5° |
| C1 | C | HC2 | 109.5° | 109.4° |
| C1 | C | HC3 | 109.5° | 109.5° |
| C6 | C7 | O1 | 121.0° | 120.3° |
| C7 | C6 | C5 | 123.0° | 120.3° |
| C7 | C6 | H6 | 118.5° | 119.8° |
| C7 | O1 | C8 | 121.3° | 117.0° |
| C6 | C5 | C4 | 120.2° | 120.8° |
| C5 | C6 | H6 | 118.5° | 119.9° |
| C6 | C5 | H5 | 119.9° | 119.6° |
| C5 | C4 | H4 | 121.4° | 120.0° |
| C4 | C5 | H5 | 119.9° | 119.6° |
| O1 | C8 | C12 | 114.7° | 109.5° |
| O1 | C8 | C9 | 111.4° | 109.5° |
| O1 | C8 | H8 | 107.3° | 109.5° |
| C12 | C8 | C9 | 110.0° | 109.2° |
| C8 | C12 | C11 | 112.6° | 109.2° |
| C12 | C8 | H8 | 106.3° | 109.6° |
| C8 | C12 | H121 | 108.7° | 109.5° |
| C8 | C12 | H122 | 108.7° | 109.5° |
| C8 | C9 | C10 | 110.8° | 109.2° |
| C9 | C8 | H8 | 106.6° | 109.5° |
| C8 | C9 | H91C | 109.1° | 109.5° |
| C8 | C9 | H92C | 109.2° | 109.5° |
| C12 | C11 | N | 115.9° | 109.5° |
| C11 | C12 | H121 | 108.7° | 109.5° |
| C11 | C12 | H122 | 108.7° | 109.5° |
| C12 | C11 | H111 | 107.8° | 109.5° |
| C12 | C11 | H112 | 107.9° | 109.4° |
| C11 | N | C10 | 125.4° | 111.2° |
| N | C11 | H111 | 107.8° | 109.5° |
| N | C11 | H112 | 107.8° | 109.5° |
| C11 | N | H | 105.4° | 110.9° |
| N | C10 | C9 | 114.6° | 109.5° |
| C10 | N | H | 105.3° | 111.0° |
| N | C10 | H101 | 108.2° | 109.5° |
| N | C10 | H102 | 108.2° | 109.5° |
| C10 | C9 | H91C | 109.1° | 109.5° |
| C10 | C9 | H92C | 109.1° | 109.5° |
| C9 | C10 | H101 | 108.2° | 109.5° |
| C9 | C10 | H102 | 108.1° | 109.4° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.4° | 109.5° |
| HC1 | C | HC3 | 109.5° | 109.5° |
| HC2 | C | HC3 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H91C | C9 | H92C | 109.5° | 109.6° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C14 | C15 | C2 | 178.6° | 179.7° |
| O2 | C14 | C15 | C16 | 29.6° | 0.1° |
| O2 | C14 | C2 | O | 6.2° | 180.0° |
| O2 | C14 | C2 | C1 | 175.9° | 0.3° |
| O2 | C14 | C15 | H151 | 149.7° | 120.0° |
| O2 | C14 | C15 | H152 | 90.5° | 120.0° |
| C14 | C15 | C16 | H151 | 120.1° | 120.1° |
| C14 | C15 | C16 | H152 | 120.1° | 120.0° |
| C14 | C15 | C16 | C17 | 84.4° | 180.0° |
| C15 | C14 | C2 | O | 172.5° | 0.3° |
| C15 | C14 | C2 | C1 | 5.5° | 179.4° |
| C14 | C15 | H151 | H152 | 119.6° | 119.9° |
| C14 | C15 | C16 | H161 | 155.0° | 60.0° |
| C14 | C15 | C16 | H162 | 36.1° | 60.0° |
| C2 | C14 | C15 | C16 | 151.8° | 179.7° |
| C14 | C2 | O | C1 | 178.4° | 179.7° |
| C14 | C2 | O | C3 | 178.0° | 180.0° |
| C14 | C2 | C1 | C13 | 178.5° | 179.9° |
| C14 | C2 | C1 | C | 2.4° | 0.1° |
| C2 | C14 | C15 | H151 | 31.7° | 59.6° |
| C2 | C14 | C15 | H152 | 88.1° | 60.3° |
| C15 | C16 | C17 | H161 | 120.5° | 120.0° |
| C15 | C16 | C17 | H162 | 120.5° | 120.0° |
| C15 | C16 | C17 | C22 | 80.6° | 90.0° |
| C15 | C16 | C17 | C18 | 98.8° | 90.2° |
| C16 | C15 | H151 | H152 | 119.7° | 120.0° |
| C15 | C16 | H161 | H162 | 118.4° | 120.0° |
| C16 | C17 | C22 | C18 | 179.4° | 179.8° |
| C16 | C17 | C22 | C21 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 178.9° | 179.8° |
| C17 | C16 | C15 | H151 | 35.6° | 60.0° |
| C17 | C16 | C15 | H152 | 155.4° | 60.0° |
| C17 | C16 | H161 | H162 | 118.5° | 120.0° |
| C16 | C17 | C22 | H22 | 0.3° | 0.0° |
| C16 | C17 | C18 | H18 | 1.1° | 0.0° |
| C17 | C22 | C21 | H22 | 180.0° | 180.0° |
| C17 | C22 | C21 | C20 | 0.9° | 0.0° |
| C22 | C17 | C18 | C19 | 0.5° | 0.5° |
| C22 | C17 | C16 | H161 | 39.9° | 30.0° |
| C22 | C17 | C16 | H162 | 158.9° | 150.0° |
| C22 | C17 | C18 | H18 | 179.5° | 179.7° |
| C17 | C22 | C21 | H21 | 179.1° | 179.9° |
| C18 | C17 | C22 | C21 | 0.9° | 0.3° |
| C17 | C18 | C19 | C20 | 1.9° | 0.4° |
| C17 | C18 | C19 | H18 | 180.0° | 179.8° |
| C18 | C17 | C16 | H161 | 140.6° | 149.7° |
| C18 | C17 | C16 | H162 | 21.7° | 29.8° |
| C18 | C17 | C22 | H22 | 179.1° | 179.8° |
| C17 | C18 | C19 | H19 | 178.1° | 179.7° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.5° | 0.0° |
| C22 | C21 | C20 | H20 | 179.5° | 180.0° |
| C21 | C20 | C19 | H20 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.9° | 0.2° |
| C20 | C21 | C22 | H22 | 179.1° | 180.0° |
| C21 | C20 | C19 | H19 | 178.2° | 179.9° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 178.1° | 179.8° |
| C19 | C20 | C21 | H21 | 179.6° | 180.0° |
| C18 | C19 | C20 | H20 | 178.1° | 179.8° |
| C2 | O | C3 | C13 | 1.1° | 0.0° |
| C2 | O | C3 | C4 | 179.9° | 180.0° |
| O | C2 | C1 | C13 | 0.5° | 0.4° |
| O | C2 | C1 | C | 179.6° | 179.8° |
| C1 | C2 | O | C3 | 0.4° | 0.3° |
| C2 | C1 | C13 | C3 | 1.0° | 0.4° |
| C2 | C1 | C13 | C | 179.3° | 179.8° |
| C2 | C1 | C13 | C7 | 179.4° | 179.9° |
| C2 | C1 | C | HC1 | 89.4° | 90.0° |
| C2 | C1 | C | HC2 | 150.6° | 150.0° |
| C2 | C1 | C | HC3 | 30.6° | 30.1° |
| O | C3 | C13 | C4 | 178.8° | 180.0° |
| O | C3 | C13 | C1 | 1.3° | 0.2° |
| O | C3 | C13 | C7 | 179.0° | 180.0° |
| O | C3 | C4 | C5 | 179.1° | 180.0° |
| O | C3 | C4 | H4 | 0.9° | 0.1° |
| C3 | C13 | C1 | C7 | 179.6° | 179.7° |
| C3 | C13 | C1 | C | 179.7° | 179.8° |
| C3 | C13 | C7 | C6 | 0.7° | 0.0° |
| C3 | C13 | C7 | O1 | 179.6° | 180.0° |
| C13 | C3 | C4 | C5 | 0.4° | 0.0° |
| C13 | C3 | C4 | H4 | 179.6° | 179.9° |
| C4 | C3 | C13 | C1 | 179.9° | 179.8° |
| C4 | C3 | C13 | C7 | 0.2° | 0.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C1 | C13 | C7 | C6 | 178.8° | 179.7° |
| C1 | C13 | C7 | O1 | 0.9° | 0.3° |
| C13 | C1 | C | HC1 | 89.6° | 89.8° |
| C13 | C1 | C | HC2 | 30.3° | 30.2° |
| C13 | C1 | C | HC3 | 150.4° | 150.2° |
| C7 | C13 | C1 | C | 0.1° | 0.1° |
| C13 | C7 | C6 | O1 | 179.7° | 180.0° |
| C13 | C7 | C6 | C5 | 1.4° | 0.0° |
| C13 | C7 | O1 | C8 | 142.6° | 174.5° |
| C13 | C7 | C6 | H6 | 178.5° | 180.0° |
| C1 | C | HC1 | HC2 | 120.0° | 120.0° |
| C1 | C | HC1 | HC3 | 120.0° | 120.0° |
| C1 | C | HC2 | HC3 | 120.0° | 120.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 1.2° | 0.1° |
| C6 | C7 | O1 | C8 | 37.7° | 5.5° |
| C7 | C6 | C5 | H5 | 178.8° | 180.0° |
| O1 | C7 | C6 | C5 | 178.8° | 180.0° |
| C7 | O1 | C8 | C12 | 162.9° | 155.1° |
| C7 | O1 | C8 | C9 | 71.4° | 85.2° |
| O1 | C7 | C6 | H6 | 1.2° | 0.0° |
| C7 | O1 | C8 | H8 | 45.0° | 34.9° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | H4 | 179.7° | 179.9° |
| C4 | C5 | C6 | H6 | 178.8° | 180.0° |
| O1 | C8 | C12 | C9 | 126.5° | 119.9° |
| O1 | C8 | C12 | H8 | 118.5° | 120.2° |
| O1 | C8 | C9 | H8 | 116.8° | 120.1° |
| O1 | C8 | C12 | C11 | 71.2° | 177.6° |
| O1 | C8 | C9 | C10 | 65.7° | 177.5° |
| O1 | C8 | C12 | H121 | 168.3° | 62.6° |
| O1 | C8 | C12 | H122 | 49.3° | 57.6° |
| O1 | C8 | C9 | H91C | 54.5° | 57.6° |
| O1 | C8 | C9 | H92C | 174.1° | 62.6° |
| C12 | C8 | C9 | H8 | 114.9° | 120.0° |
| C8 | C12 | C11 | H121 | 120.5° | 119.9° |
| C8 | C12 | C11 | H122 | 120.5° | 119.9° |
| C8 | C12 | C11 | N | 23.7° | 59.2° |
| C12 | C8 | C9 | C10 | 62.7° | 57.7° |
| C8 | C12 | H121 | H122 | 118.6° | 120.1° |
| C12 | C8 | C9 | H91C | 177.1° | 62.3° |
| C12 | C8 | C9 | H92C | 57.5° | 177.6° |
| C8 | C12 | C11 | H111 | 144.6° | 60.8° |
| C8 | C12 | C11 | H112 | 97.3° | 179.2° |
| C9 | C8 | C12 | C11 | 55.3° | 57.7° |
| C8 | C9 | C10 | N | 37.8° | 59.2° |
| C8 | C9 | C10 | H91C | 120.2° | 119.9° |
| C8 | C9 | C10 | H92C | 120.2° | 119.9° |
| C9 | C8 | C12 | H121 | 65.2° | 177.6° |
| C9 | C8 | C12 | H122 | 175.8° | 62.2° |
| C8 | C9 | H91C | H92C | 119.4° | 120.1° |
| C8 | C9 | C10 | H101 | 158.6° | 60.9° |
| C8 | C9 | C10 | H102 | 82.9° | 179.2° |
| C12 | C11 | N | H111 | 121.0° | 120.0° |
| C12 | C11 | N | H112 | 121.0° | 119.9° |
| C12 | C11 | N | C10 | 0.8° | 61.8° |
| C11 | C12 | C8 | H8 | 170.4° | 62.3° |
| C11 | C12 | H121 | H122 | 118.6° | 120.1° |
| C12 | C11 | H111 | H112 | 117.1° | 119.9° |
| C12 | C11 | N | H | 122.9° | 174.1° |
| C11 | N | C10 | H | 122.2° | 124.1° |
| C11 | N | C10 | C9 | 6.4° | 61.8° |
| N | C11 | C12 | H121 | 96.8° | 179.1° |
| N | C11 | C12 | H122 | 144.1° | 60.7° |
| N | C11 | H111 | H112 | 117.0° | 120.0° |
| C11 | N | C10 | H101 | 127.2° | 58.2° |
| C11 | N | C10 | H102 | 114.3° | 178.2° |
| N | C10 | C9 | H101 | 120.8° | 120.0° |
| N | C10 | C9 | H102 | 120.7° | 120.0° |
| N | C10 | C9 | H91C | 158.0° | 60.7° |
| N | C10 | C9 | H92C | 82.4° | 179.1° |
| C10 | N | C11 | H111 | 120.2° | 58.2° |
| C10 | N | C11 | H112 | 121.7° | 178.3° |
| N | C10 | H101 | H102 | 117.7° | 120.0° |
| C10 | C9 | C8 | H8 | 177.6° | 62.3° |
| C10 | C9 | H91C | H92C | 119.4° | 120.1° |
| C9 | C10 | N | H | 115.7° | 174.1° |
| C9 | C10 | H101 | H102 | 117.6° | 119.9° |
| H151 | C15 | C16 | H161 | 84.9° | 180.0° |
| H151 | C15 | C16 | H162 | 156.2° | 60.0° |
| H152 | C15 | C16 | H161 | 34.9° | 60.0° |
| H152 | C15 | C16 | H162 | 84.0° | 180.0° |
| H22 | C22 | C21 | H21 | 0.9° | 0.0° |
| H18 | C18 | C19 | H19 | 1.9° | 0.1° |
| H21 | C21 | C20 | H20 | 0.5° | 0.0° |
| H20 | C20 | C19 | H19 | 1.8° | 0.0° |
| H4 | C4 | C5 | H5 | 0.3° | 0.1° |
| HC1 | C | HC2 | HC3 | 120.0° | 120.0° |
| H6 | C6 | C5 | H5 | 1.2° | 0.0° |
| H8 | C8 | C12 | H121 | 49.9° | 57.6° |
| H8 | C8 | C12 | H122 | 69.2° | 177.8° |
| H8 | C8 | C9 | H91C | 62.2° | 177.8° |
| H8 | C8 | C9 | H92C | 57.4° | 57.6° |
| H121 | C12 | C11 | H111 | 24.1° | 59.1° |
| H121 | C12 | C11 | H112 | 142.2° | 60.9° |
| H122 | C12 | C11 | H111 | 94.9° | 179.3° |
| H122 | C12 | C11 | H112 | 23.2° | 59.2° |
| H91C | C9 | C10 | H101 | 81.2° | 179.3° |
| H91C | C9 | C10 | H102 | 37.3° | 59.3° |
| H92C | C9 | C10 | H101 | 38.3° | 59.1° |
| H92C | C9 | C10 | H102 | 156.8° | 60.9° |
| H111 | C11 | N | H | 2.0° | 65.9° |
| H112 | C11 | N | H | 116.1° | 54.2° |
| H | N | C10 | H101 | 5.0° | 65.8° |
| H | N | C10 | H102 | 123.5° | 54.2° |
