8GO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O26 | C22 | sing | 1.43Å | 1.42Å | |
C17 | C16 | sing | 1.51Å | 1.53Å | |
C22 | C21 | sing | 1.53Å | 1.54Å | |
C18 | C16 | sing | 1.51Å | 1.53Å | |
C16 | C15 | doub | 1.31Å | 1.53Å | |
C19 | C20 | sing | 1.53Å | 1.46Å | |
C19 | C14 | sing | 1.53Å | 1.57Å | |
C23 | C20 | sing | 1.53Å | 1.55Å | |
C15 | C14 | sing | 1.51Å | 1.39Å | |
C21 | C20 | sing | 1.53Å | 1.54Å | |
C20 | O11 | sing | 1.43Å | 1.43Å | |
C14 | C9 | sing | 1.51Å | 1.43Å | |
O11 | C10 | sing | 1.35Å | 1.37Å | |
C9 | C10 | doub | 1.36Å | 1.40Å | |
C9 | C8 | sing | 1.41Å | 1.42Å | |
O12 | C8 | doub | 1.22Å | 1.23Å | |
C10 | C5 | sing | 1.47Å | 1.38Å | |
C8 | N7 | sing | 1.34Å | 1.36Å | |
C5 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
C5 | C4 | sing | 1.41Å | 1.38Å | Aromatic |
N7 | C4 | sing | 1.38Å | 1.35Å | |
N7 | C13 | sing | 1.46Å | 1.49Å | |
C6 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
C13 | C25 | sing | 1.53Å | 1.53Å | |
C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
C2 | C24 | sing | 1.51Å | 1.39Å | |
C1 | H1 | sing | 1.08Å | 1.08Å | |
C6 | H2 | sing | 1.08Å | 1.08Å | |
C13 | H3 | sing | 1.09Å | 1.10Å | |
C13 | H4 | sing | 1.09Å | 1.10Å | |
C14 | H5 | sing | 1.09Å | 1.10Å | |
C15 | H6 | sing | 1.08Å | 1.08Å | |
C17 | H7 | sing | 1.09Å | 1.10Å | |
C17 | H8 | sing | 1.09Å | 1.10Å | |
C17 | H9 | sing | 1.09Å | 1.10Å | |
C18 | H10 | sing | 1.09Å | 1.10Å | |
C18 | H11 | sing | 1.09Å | 1.10Å | |
C18 | H12 | sing | 1.09Å | 1.10Å | |
C21 | H13 | sing | 1.09Å | 1.10Å | |
C21 | H14 | sing | 1.09Å | 1.10Å | |
C22 | H15 | sing | 1.09Å | 1.10Å | |
C22 | H16 | sing | 1.09Å | 1.10Å | |
C23 | H17 | sing | 1.09Å | 1.10Å | |
C23 | H18 | sing | 1.09Å | 1.10Å | |
C23 | H19 | sing | 1.09Å | 1.10Å | |
C19 | H20 | sing | 1.09Å | 1.10Å | |
C19 | H21 | sing | 1.09Å | 1.10Å | |
C25 | H22 | sing | 1.09Å | 1.10Å | |
C25 | H23 | sing | 1.09Å | 1.10Å | |
C25 | H24 | sing | 1.09Å | 1.10Å | |
C24 | H25 | sing | 1.09Å | 1.10Å | |
C24 | H26 | sing | 1.09Å | 1.10Å | |
C24 | H27 | sing | 1.09Å | 1.10Å | |
O26 | H28 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O26 | C22 | C21 | 116.2° | 109.5° |
O26 | C22 | H15 | 107.8° | 109.5° |
O26 | C22 | H16 | 107.8° | 109.5° |
C22 | O26 | H28 | 109.5° | 114.0° |
C17 | C16 | C18 | 119.9° | 120.0° |
C17 | C16 | C15 | 122.3° | 120.0° |
C16 | C17 | H7 | 109.5° | 109.5° |
C16 | C17 | H8 | 109.5° | 109.5° |
C16 | C17 | H9 | 109.5° | 109.5° |
C22 | C21 | C20 | 115.7° | 109.5° |
C22 | C21 | H13 | 107.9° | 109.4° |
C22 | C21 | H14 | 107.9° | 109.4° |
C21 | C22 | H15 | 107.8° | 109.5° |
C21 | C22 | H16 | 107.8° | 109.4° |
C18 | C16 | C15 | 117.8° | 120.0° |
C16 | C18 | H10 | 109.5° | 109.5° |
C16 | C18 | H11 | 109.4° | 109.5° |
C16 | C18 | H12 | 109.5° | 109.5° |
C16 | C15 | C14 | 122.8° | 120.0° |
C16 | C15 | H6 | 118.6° | 120.0° |
C20 | C19 | C14 | 105.1° | 108.2° |
C19 | C20 | C23 | 113.4° | 109.7° |
C19 | C20 | C21 | 130.5° | 109.7° |
C19 | C20 | O11 | 100.4° | 108.2° |
C20 | C19 | H20 | 110.6° | 109.7° |
C20 | C19 | H21 | 110.5° | 109.8° |
C19 | C14 | C15 | 97.4° | 109.4° |
C19 | C14 | C9 | 104.8° | 109.7° |
C19 | C14 | H5 | 112.9° | 109.4° |
C14 | C19 | H20 | 110.5° | 109.7° |
C14 | C19 | H21 | 110.6° | 109.7° |
C23 | C20 | C21 | 105.5° | 109.7° |
C23 | C20 | O11 | 111.0° | 109.7° |
C20 | C23 | H17 | 109.5° | 109.4° |
C20 | C23 | H18 | 109.5° | 109.5° |
C20 | C23 | H19 | 109.5° | 109.5° |
C15 | C14 | C9 | 108.2° | 109.5° |
C15 | C14 | H5 | 116.2° | 109.4° |
C14 | C15 | H6 | 118.6° | 120.0° |
C21 | C20 | O11 | 92.8° | 109.7° |
C20 | C21 | H13 | 107.9° | 109.5° |
C20 | C21 | H14 | 107.9° | 109.5° |
C20 | O11 | C10 | 118.2° | 118.0° |
C14 | C9 | C10 | 117.5° | 121.4° |
C14 | C9 | C8 | 125.4° | 118.8° |
C9 | C14 | H5 | 115.4° | 109.4° |
O11 | C10 | C9 | 122.5° | 122.4° |
O11 | C10 | C5 | 115.5° | 119.2° |
C10 | C9 | C8 | 116.1° | 119.8° |
C9 | C10 | C5 | 121.7° | 118.3° |
C9 | C8 | O12 | 122.5° | 118.9° |
C9 | C8 | N7 | 120.7° | 122.1° |
O12 | C8 | N7 | 116.7° | 118.9° |
C10 | C5 | C6 | 119.9° | 121.2° |
C10 | C5 | C4 | 119.6° | 119.3° |
C8 | N7 | C4 | 122.1° | 121.2° |
C8 | N7 | C13 | 119.6° | 119.4° |
C6 | C5 | C4 | 120.5° | 119.5° |
C5 | C6 | C1 | 118.7° | 117.9° |
C5 | C6 | H2 | 120.6° | 121.1° |
C5 | C4 | N7 | 119.5° | 119.2° |
C5 | C4 | N3 | 119.5° | 119.9° |
C4 | N7 | C13 | 118.3° | 119.4° |
N7 | C4 | N3 | 121.0° | 120.9° |
N7 | C13 | C25 | 113.7° | 109.5° |
N7 | C13 | H3 | 108.4° | 109.5° |
N7 | C13 | H4 | 108.4° | 109.5° |
C6 | C1 | C2 | 119.1° | 119.5° |
C6 | C1 | H1 | 120.5° | 120.3° |
C1 | C6 | H2 | 120.7° | 121.0° |
C4 | N3 | C2 | 121.4° | 121.6° |
C25 | C13 | H3 | 108.4° | 109.5° |
C25 | C13 | H4 | 108.4° | 109.5° |
C13 | C25 | H22 | 109.5° | 109.5° |
C13 | C25 | H23 | 109.5° | 109.4° |
C13 | C25 | H24 | 109.4° | 109.5° |
C1 | C2 | N3 | 120.8° | 121.5° |
C1 | C2 | C24 | 119.3° | 119.2° |
C2 | C1 | H1 | 120.4° | 120.2° |
N3 | C2 | C24 | 120.0° | 119.2° |
C2 | C24 | H25 | 109.5° | 109.5° |
C2 | C24 | H26 | 109.5° | 109.5° |
C2 | C24 | H27 | 109.5° | 109.5° |
H3 | C13 | H4 | 109.5° | 109.5° |
H7 | C17 | H8 | 109.4° | 109.5° |
H7 | C17 | H9 | 109.5° | 109.5° |
H8 | C17 | H9 | 109.5° | 109.5° |
H10 | C18 | H11 | 109.5° | 109.4° |
H10 | C18 | H12 | 109.4° | 109.5° |
H11 | C18 | H12 | 109.5° | 109.4° |
H13 | C21 | H14 | 109.4° | 109.5° |
H15 | C22 | H16 | 109.5° | 109.4° |
H17 | C23 | H18 | 109.5° | 109.5° |
H17 | C23 | H19 | 109.4° | 109.5° |
H18 | C23 | H19 | 109.5° | 109.5° |
H20 | C19 | H21 | 109.5° | 109.7° |
H22 | C25 | H23 | 109.5° | 109.5° |
H22 | C25 | H24 | 109.5° | 109.5° |
H23 | C25 | H24 | 109.5° | 109.4° |
H25 | C24 | H26 | 109.5° | 109.4° |
H25 | C24 | H27 | 109.4° | 109.4° |
H26 | C24 | H27 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O26 | C22 | C21 | H15 | 121.0° | 120.1° |
O26 | C22 | C21 | H16 | 120.9° | 120.0° |
O26 | C22 | C21 | C20 | 59.6° | 180.0° |
O26 | C22 | C21 | H13 | 179.5° | 60.0° |
O26 | C22 | C21 | H14 | 61.3° | 60.1° |
O26 | C22 | H15 | H16 | 117.0° | 120.0° |
C17 | C16 | C18 | C15 | 177.8° | 180.0° |
C17 | C16 | C15 | C14 | 0.3° | 5.0° |
C17 | C16 | C15 | H6 | 179.7° | 174.9° |
C16 | C17 | H7 | H8 | 120.0° | 120.0° |
C16 | C17 | H7 | H9 | 120.0° | 120.0° |
C16 | C17 | H8 | H9 | 120.0° | 120.0° |
C17 | C16 | C18 | H10 | 180.0° | 120.0° |
C17 | C16 | C18 | H11 | 60.0° | 0.0° |
C17 | C16 | C18 | H12 | 60.0° | 120.0° |
C22 | C21 | C20 | C19 | 47.7° | 178.8° |
C22 | C21 | C20 | C23 | 93.4° | 60.6° |
C22 | C21 | C20 | H13 | 120.9° | 120.0° |
C22 | C21 | C20 | H14 | 120.9° | 119.9° |
C22 | C21 | C20 | O11 | 153.9° | 60.0° |
C22 | C21 | H13 | H14 | 117.2° | 120.0° |
C21 | C22 | H15 | H16 | 117.0° | 120.0° |
C21 | C22 | O26 | H28 | 180.0° | 179.9° |
C18 | C16 | C15 | C14 | 178.0° | 174.9° |
C18 | C16 | C15 | H6 | 1.9° | 5.2° |
C18 | C16 | C17 | H7 | 180.0° | 95.0° |
C18 | C16 | C17 | H8 | 60.0° | 25.0° |
C18 | C16 | C17 | H9 | 60.0° | 145.0° |
C16 | C18 | H10 | H11 | 120.0° | 120.0° |
C16 | C18 | H10 | H12 | 120.0° | 120.1° |
C16 | C18 | H11 | H12 | 120.0° | 120.0° |
C16 | C15 | C14 | C19 | 119.6° | 122.8° |
C16 | C15 | C14 | H6 | 180.0° | 179.9° |
C16 | C15 | C14 | C9 | 132.1° | 117.0° |
C16 | C15 | C14 | H5 | 0.5° | 3.0° |
C15 | C16 | C17 | H7 | 2.3° | 85.0° |
C15 | C16 | C17 | H8 | 117.6° | 155.0° |
C15 | C16 | C17 | H9 | 122.4° | 35.1° |
C15 | C16 | C18 | H10 | 2.2° | 60.1° |
C15 | C16 | C18 | H11 | 122.2° | 180.0° |
C15 | C16 | C18 | H12 | 117.8° | 60.0° |
C20 | C19 | C14 | H20 | 119.3° | 119.7° |
C20 | C19 | C14 | H21 | 119.3° | 119.7° |
C19 | C20 | C23 | C21 | 148.7° | 120.6° |
C19 | C20 | C23 | O11 | 112.1° | 118.8° |
C20 | C19 | C14 | C15 | 179.5° | 167.9° |
C19 | C20 | C21 | O11 | 106.2° | 118.8° |
C20 | C19 | C14 | C9 | 68.4° | 47.8° |
C19 | C20 | O11 | C10 | 44.0° | 48.7° |
C20 | C19 | C14 | H5 | 58.0° | 72.2° |
C19 | C20 | C21 | H13 | 73.2° | 58.8° |
C19 | C20 | C21 | H14 | 168.7° | 61.3° |
C19 | C20 | C23 | H17 | 180.0° | 178.8° |
C19 | C20 | C23 | H18 | 60.0° | 61.3° |
C19 | C20 | C23 | H19 | 60.0° | 58.8° |
C20 | C19 | H20 | H21 | 122.0° | 120.6° |
C14 | C19 | C20 | C23 | 40.9° | 55.9° |
C19 | C14 | C15 | C9 | 108.3° | 120.2° |
C19 | C14 | C15 | H5 | 120.1° | 119.9° |
C14 | C19 | C20 | C21 | 179.6° | 176.5° |
C14 | C19 | C20 | O11 | 77.6° | 63.8° |
C19 | C14 | C9 | H5 | 124.9° | 120.0° |
C19 | C14 | C9 | C10 | 22.2° | 17.9° |
C19 | C14 | C9 | C8 | 145.8° | 162.2° |
C19 | C14 | C15 | H6 | 60.4° | 57.3° |
C14 | C19 | H20 | H21 | 122.0° | 120.6° |
C23 | C20 | C21 | O11 | 112.7° | 120.6° |
C23 | C20 | O11 | C10 | 76.2° | 71.0° |
C23 | C20 | C21 | H13 | 145.7° | 179.4° |
C23 | C20 | C21 | H14 | 27.6° | 59.4° |
C20 | C23 | H17 | H18 | 120.0° | 120.0° |
C20 | C23 | H17 | H19 | 120.0° | 120.0° |
C20 | C23 | H18 | H19 | 120.0° | 120.0° |
C23 | C20 | C19 | H20 | 78.4° | 175.5° |
C23 | C20 | C19 | H21 | 160.2° | 63.9° |
C15 | C14 | C9 | H5 | 132.0° | 119.9° |
C15 | C14 | C9 | C10 | 125.4° | 137.9° |
C15 | C14 | C9 | C8 | 42.7° | 42.1° |
C15 | C14 | C19 | H20 | 61.2° | 48.2° |
C15 | C14 | C19 | H21 | 60.2° | 72.4° |
C21 | C20 | O11 | C10 | 176.1° | 168.4° |
C20 | C21 | H13 | H14 | 117.1° | 120.0° |
C20 | C21 | C22 | H15 | 61.4° | 59.9° |
C20 | C21 | C22 | H16 | 179.5° | 60.0° |
C21 | C20 | C23 | H17 | 31.3° | 60.6° |
C21 | C20 | C23 | H18 | 88.7° | 59.3° |
C21 | C20 | C23 | H19 | 151.3° | 179.4° |
C21 | C20 | C19 | H20 | 60.3° | 63.9° |
C21 | C20 | C19 | H21 | 61.0° | 56.8° |
C20 | O11 | C10 | C9 | 0.5° | 17.2° |
C20 | O11 | C10 | C5 | 172.9° | 163.1° |
O11 | C20 | C21 | H13 | 33.0° | 59.9° |
O11 | C20 | C21 | H14 | 85.1° | 180.0° |
O11 | C20 | C23 | H17 | 67.9° | 60.0° |
O11 | C20 | C23 | H18 | 172.1° | 180.0° |
O11 | C20 | C23 | H19 | 52.1° | 60.0° |
O11 | C20 | C19 | H20 | 163.1° | 55.8° |
O11 | C20 | C19 | H21 | 41.7° | 176.4° |
C14 | C9 | C10 | O11 | 10.5° | 0.7° |
C14 | C9 | C10 | C8 | 169.2° | 180.0° |
C14 | C9 | C8 | O12 | 8.6° | 0.3° |
C14 | C9 | C10 | C5 | 176.5° | 179.6° |
C14 | C9 | C8 | N7 | 174.3° | 179.4° |
C9 | C14 | C15 | H6 | 47.9° | 63.0° |
C9 | C14 | C19 | H20 | 172.2° | 71.9° |
C9 | C14 | C19 | H21 | 50.9° | 167.6° |
O11 | C10 | C9 | C5 | 173.0° | 179.7° |
O11 | C10 | C9 | C8 | 179.7° | 179.3° |
O11 | C10 | C5 | C6 | 2.6° | 0.4° |
O11 | C10 | C5 | C4 | 178.8° | 179.6° |
C10 | C9 | C8 | O12 | 176.8° | 179.7° |
C10 | C9 | C8 | N7 | 6.1° | 0.6° |
C9 | C10 | C5 | C6 | 176.0° | 179.9° |
C9 | C10 | C5 | C4 | 5.3° | 0.1° |
C10 | C9 | C14 | H5 | 102.6° | 102.2° |
C9 | C8 | O12 | N7 | 177.2° | 179.7° |
C8 | C9 | C10 | C5 | 7.3° | 0.4° |
C9 | C8 | N7 | C4 | 3.0° | 0.6° |
C9 | C8 | N7 | C13 | 178.2° | 179.5° |
C8 | C9 | C14 | H5 | 89.3° | 77.8° |
O12 | C8 | N7 | C4 | 179.8° | 179.7° |
O12 | C8 | N7 | C13 | 0.9° | 0.3° |
C10 | C5 | C6 | C4 | 178.7° | 180.0° |
C10 | C5 | C4 | N7 | 1.7° | 0.1° |
C10 | C5 | C6 | C1 | 178.7° | 179.9° |
C10 | C5 | C4 | N3 | 178.8° | 179.7° |
C10 | C5 | C6 | H2 | 1.3° | 0.0° |
C8 | N7 | C4 | C5 | 0.6° | 0.3° |
C8 | N7 | C4 | C13 | 178.9° | 180.0° |
C8 | N7 | C4 | N3 | 179.9° | 179.9° |
C8 | N7 | C13 | C25 | 96.5° | 90.0° |
C8 | N7 | C13 | H3 | 24.1° | 30.0° |
C8 | N7 | C13 | H4 | 142.9° | 150.0° |
C6 | C5 | C4 | N7 | 179.6° | 179.9° |
C5 | C6 | C1 | H2 | 180.0° | 180.0° |
C6 | C5 | C4 | N3 | 0.1° | 0.3° |
C5 | C6 | C1 | C2 | 0.2° | 0.0° |
C5 | C6 | C1 | H1 | 179.8° | 179.7° |
C5 | C4 | N7 | N3 | 179.5° | 179.7° |
C5 | C4 | N7 | C13 | 179.5° | 179.7° |
C4 | C5 | C6 | C1 | 0.0° | 0.0° |
C5 | C4 | N3 | C2 | 0.0° | 0.5° |
C4 | C5 | C6 | H2 | 180.0° | 180.0° |
C4 | N7 | C13 | C25 | 84.6° | 90.0° |
N7 | C4 | N3 | C2 | 179.5° | 179.9° |
C4 | N7 | C13 | H3 | 154.8° | 150.0° |
C4 | N7 | C13 | H4 | 36.0° | 30.0° |
C13 | N7 | C4 | N3 | 1.0° | 0.1° |
N7 | C13 | C25 | H3 | 120.6° | 120.0° |
N7 | C13 | C25 | H4 | 120.6° | 120.0° |
N7 | C13 | H3 | H4 | 118.1° | 120.0° |
N7 | C13 | C25 | H22 | 180.0° | 180.0° |
N7 | C13 | C25 | H23 | 60.0° | 60.0° |
N7 | C13 | C25 | H24 | 60.0° | 59.9° |
C6 | C1 | C2 | H1 | 180.0° | 179.7° |
C6 | C1 | C2 | N3 | 0.3° | 0.3° |
C6 | C1 | C2 | C24 | 180.0° | 179.8° |
C4 | N3 | C2 | C1 | 0.2° | 0.5° |
C4 | N3 | C2 | C24 | 179.9° | 179.5° |
C25 | C13 | H3 | H4 | 118.1° | 120.0° |
C13 | C25 | H22 | H23 | 120.0° | 120.0° |
C13 | C25 | H22 | H24 | 120.0° | 120.0° |
C13 | C25 | H23 | H24 | 120.0° | 119.9° |
C1 | C2 | N3 | C24 | 179.7° | 180.0° |
C2 | C1 | C6 | H2 | 179.8° | 180.0° |
C1 | C2 | C24 | H25 | 179.7° | 90.0° |
C1 | C2 | C24 | H26 | 59.6° | 150.1° |
C1 | C2 | C24 | H27 | 60.4° | 30.0° |
N3 | C2 | C1 | H1 | 179.7° | 179.9° |
N3 | C2 | C24 | H25 | 0.0° | 90.0° |
N3 | C2 | C24 | H26 | 120.0° | 30.0° |
N3 | C2 | C24 | H27 | 120.0° | 150.0° |
C24 | C2 | C1 | H1 | 0.0° | 0.1° |
C2 | C24 | H25 | H26 | 120.0° | 120.0° |
C2 | C24 | H25 | H27 | 120.0° | 120.0° |
C2 | C24 | H26 | H27 | 120.0° | 120.0° |
H1 | C1 | C6 | H2 | 0.2° | 0.3° |
H3 | C13 | C25 | H22 | 59.4° | 60.0° |
H3 | C13 | C25 | H23 | 179.4° | 179.9° |
H3 | C13 | C25 | H24 | 60.6° | 60.0° |
H4 | C13 | C25 | H22 | 59.4° | 60.0° |
H4 | C13 | C25 | H23 | 60.6° | 60.0° |
H4 | C13 | C25 | H24 | 179.4° | 179.9° |
H5 | C14 | C15 | H6 | 179.5° | 177.1° |
H5 | C14 | C19 | H20 | 61.4° | 168.1° |
H5 | C14 | C19 | H21 | 177.2° | 47.5° |
H7 | C17 | H8 | H9 | 120.0° | 120.0° |
H10 | C18 | H11 | H12 | 120.0° | 119.9° |
H13 | C21 | C22 | H15 | 59.6° | 180.0° |
H13 | C21 | C22 | H16 | 58.5° | 60.0° |
H14 | C21 | C22 | H15 | 177.7° | 60.0° |
H14 | C21 | C22 | H16 | 59.6° | 180.0° |
H15 | C22 | O26 | H28 | 59.0° | 60.0° |
H16 | C22 | O26 | H28 | 59.1° | 60.0° |
H17 | C23 | H18 | H19 | 120.0° | 120.0° |
H22 | C25 | H23 | H24 | 120.0° | 120.0° |
H25 | C24 | H26 | H27 | 120.0° | 120.0° |