C0Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C5 | sing | 1.51Å | 1.54Å | |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C10 | doub | 1.39Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | C8 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.48Å | 1.50Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | O11 | sing | 1.36Å | 1.38Å | |
| C12 | O13 | doub | 1.22Å | 1.22Å | |
| C12 | N14 | sing | 1.35Å | 1.36Å | |
| N14 | C15 | sing | 1.47Å | 1.47Å | |
| N14 | C19 | sing | 1.47Å | 1.46Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | O17 | sing | 1.43Å | 1.44Å | |
| O17 | C18 | sing | 1.43Å | 1.44Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C3 | H33C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C4 | H43C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 108.1° | 109.5° |
| C1 | C2 | C4 | 108.4° | 109.5° |
| C1 | C2 | C5 | 110.4° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.5° | 109.4° |
| C2 | C1 | H13C | 109.4° | 109.5° |
| C3 | C2 | C4 | 108.6° | 109.5° |
| C3 | C2 | C5 | 110.4° | 109.4° |
| C2 | C3 | H31C | 109.5° | 109.4° |
| C2 | C3 | H32C | 109.4° | 109.5° |
| C2 | C3 | H33C | 109.5° | 109.5° |
| C4 | C2 | C5 | 110.8° | 109.4° |
| C2 | C4 | H41C | 109.5° | 109.5° |
| C2 | C4 | H42C | 109.5° | 109.5° |
| C2 | C4 | H43C | 109.4° | 109.5° |
| C2 | C5 | C6 | 116.6° | 120.0° |
| C2 | C5 | C10 | 125.1° | 119.9° |
| C6 | C5 | C10 | 118.3° | 120.1° |
| C5 | C6 | C7 | 121.8° | 119.9° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C5 | C10 | C9 | 119.8° | 120.1° |
| C5 | C10 | O11 | 121.1° | 119.9° |
| C6 | C7 | C8 | 119.4° | 119.8° |
| C6 | C7 | C12 | 120.0° | 120.0° |
| C7 | C6 | H6 | 119.1° | 120.1° |
| C8 | C7 | C12 | 120.6° | 120.1° |
| C7 | C8 | C9 | 120.5° | 119.9° |
| C7 | C8 | H8 | 119.8° | 120.0° |
| C7 | C12 | O13 | 119.3° | 120.0° |
| C7 | C12 | N14 | 119.1° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.1° |
| C9 | C8 | H8 | 119.8° | 120.1° |
| C8 | C9 | H9 | 119.9° | 120.0° |
| C9 | C10 | O11 | 119.1° | 119.9° |
| C10 | C9 | H9 | 119.9° | 119.9° |
| C10 | O11 | H11 | 109.5° | 114.0° |
| O13 | C12 | N14 | 121.5° | 120.0° |
| C12 | N14 | C15 | 122.5° | 121.0° |
| C12 | N14 | C19 | 122.8° | 121.0° |
| C15 | N14 | C19 | 113.4° | 118.0° |
| N14 | C15 | C16 | 109.6° | 108.4° |
| N14 | C15 | H151 | 109.4° | 109.7° |
| N14 | C15 | H152 | 109.4° | 109.6° |
| N14 | C19 | C18 | 109.7° | 108.6° |
| N14 | C19 | H191 | 109.4° | 109.7° |
| N14 | C19 | H192 | 109.3° | 109.7° |
| C15 | C16 | O17 | 111.3° | 109.2° |
| C16 | C15 | H151 | 109.4° | 109.7° |
| C16 | C15 | H152 | 109.4° | 109.7° |
| C15 | C16 | H161 | 108.9° | 109.5° |
| C15 | C16 | H162 | 108.5° | 109.6° |
| C16 | O17 | C18 | 110.1° | 114.2° |
| O17 | C16 | H161 | 108.9° | 109.5° |
| O17 | C16 | H162 | 108.5° | 109.5° |
| O17 | C18 | C19 | 111.3° | 109.3° |
| O17 | C18 | H181 | 108.8° | 109.5° |
| O17 | C18 | H182 | 108.4° | 109.5° |
| C18 | C19 | H191 | 109.4° | 109.6° |
| C18 | C19 | H192 | 109.4° | 109.5° |
| C19 | C18 | H181 | 108.9° | 109.6° |
| C19 | C18 | H182 | 108.4° | 109.3° |
| H11C | C1 | H12C | 109.4° | 109.4° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H31C | C3 | H33C | 109.5° | 109.5° |
| H32C | C3 | H33C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.4° | 109.4° |
| H41C | C4 | H43C | 109.4° | 109.5° |
| H42C | C4 | H43C | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.6° | 109.7° |
| H191 | C19 | H192 | 109.6° | 109.7° |
| H161 | C16 | H162 | 110.8° | 109.6° |
| H181 | C18 | H182 | 110.9° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C4 | 117.4° | 120.1° |
| C1 | C2 | C3 | C5 | 120.9° | 120.0° |
| C1 | C2 | C4 | C5 | 121.3° | 120.0° |
| C1 | C2 | C5 | C6 | 5.7° | 0.0° |
| C1 | C2 | C5 | C10 | 176.0° | 179.7° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| C1 | C2 | C3 | H31C | 143.9° | 60.0° |
| C1 | C2 | C3 | H32C | 23.9° | 180.0° |
| C1 | C2 | C3 | H33C | 96.1° | 59.9° |
| C1 | C2 | C4 | H41C | 159.6° | 60.0° |
| C1 | C2 | C4 | H42C | 39.6° | 180.0° |
| C1 | C2 | C4 | H43C | 80.4° | 60.0° |
| C3 | C2 | C4 | C5 | 121.5° | 120.0° |
| C3 | C2 | C5 | C6 | 113.7° | 120.0° |
| C3 | C2 | C5 | C10 | 64.5° | 59.7° |
| C3 | C2 | C1 | H11C | 130.1° | 60.0° |
| C3 | C2 | C1 | H12C | 10.1° | 180.0° |
| C3 | C2 | C1 | H13C | 109.9° | 60.0° |
| C2 | C3 | H31C | H32C | 120.0° | 120.0° |
| C2 | C3 | H31C | H33C | 120.0° | 120.0° |
| C2 | C3 | H32C | H33C | 120.0° | 120.0° |
| C3 | C2 | C4 | H41C | 42.4° | 179.9° |
| C3 | C2 | C4 | H42C | 77.6° | 60.0° |
| C3 | C2 | C4 | H43C | 162.4° | 60.0° |
| C4 | C2 | C5 | C6 | 125.9° | 120.0° |
| C4 | C2 | C5 | C10 | 55.8° | 60.3° |
| C4 | C2 | C1 | H11C | 12.5° | 180.0° |
| C4 | C2 | C1 | H12C | 107.5° | 60.0° |
| C4 | C2 | C1 | H13C | 132.5° | 60.0° |
| C4 | C2 | C3 | H31C | 98.6° | 60.0° |
| C4 | C2 | C3 | H32C | 141.3° | 60.0° |
| C4 | C2 | C3 | H33C | 21.3° | 180.0° |
| C2 | C4 | H41C | H42C | 120.0° | 120.0° |
| C2 | C4 | H41C | H43C | 120.0° | 120.0° |
| C2 | C4 | H42C | H43C | 120.0° | 120.0° |
| C2 | C5 | C6 | C10 | 178.4° | 179.7° |
| C2 | C5 | C6 | C7 | 178.6° | 180.0° |
| C2 | C5 | C10 | C9 | 178.4° | 179.7° |
| C2 | C5 | C10 | O11 | 2.3° | 0.1° |
| C5 | C2 | C1 | H11C | 109.1° | 60.0° |
| C5 | C2 | C1 | H12C | 131.0° | 60.0° |
| C5 | C2 | C1 | H13C | 11.0° | 180.0° |
| C5 | C2 | C3 | H31C | 23.0° | 180.0° |
| C5 | C2 | C3 | H32C | 97.0° | 60.0° |
| C5 | C2 | C3 | H33C | 143.0° | 60.0° |
| C5 | C2 | C4 | H41C | 79.0° | 60.0° |
| C5 | C2 | C4 | H42C | 161.0° | 60.0° |
| C5 | C2 | C4 | H43C | 40.9° | 180.0° |
| C2 | C5 | C6 | H6 | 1.4° | 0.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 0.3° | 0.0° |
| C5 | C6 | C7 | C12 | 177.7° | 180.0° |
| C6 | C5 | C10 | C9 | 0.1° | 0.6° |
| C6 | C5 | C10 | O11 | 179.5° | 179.7° |
| C10 | C5 | C6 | C7 | 0.2° | 0.3° |
| C5 | C10 | C9 | C8 | 0.1° | 0.6° |
| C5 | C10 | C9 | O11 | 179.4° | 179.7° |
| C10 | C5 | C6 | H6 | 179.8° | 179.8° |
| C5 | C10 | C9 | H9 | 179.9° | 179.7° |
| C5 | C10 | O11 | H11 | 111.9° | 90.0° |
| C6 | C7 | C8 | C12 | 177.4° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.0° |
| C6 | C7 | C12 | O13 | 120.1° | 48.6° |
| C6 | C7 | C12 | N14 | 55.7° | 131.4° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.3° |
| C8 | C7 | C12 | O13 | 57.3° | 131.4° |
| C8 | C7 | C12 | N14 | 126.9° | 48.6° |
| C8 | C7 | C6 | H6 | 179.7° | 180.0° |
| C7 | C8 | C9 | H9 | 179.8° | 180.0° |
| C12 | C7 | C8 | C9 | 177.7° | 180.0° |
| C7 | C12 | O13 | N14 | 175.7° | 179.9° |
| C7 | C12 | N14 | C15 | 173.7° | 176.2° |
| C7 | C12 | N14 | C19 | 20.0° | 3.5° |
| C12 | C7 | C6 | H6 | 2.3° | 0.0° |
| C12 | C7 | C8 | H8 | 2.3° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.8° |
| C8 | C9 | C10 | O11 | 179.5° | 179.8° |
| C10 | C9 | C8 | H8 | 179.8° | 179.7° |
| C9 | C10 | O11 | H11 | 68.7° | 89.7° |
| O11 | C10 | C9 | H9 | 0.5° | 0.0° |
| O13 | C12 | N14 | C15 | 2.0° | 3.9° |
| O13 | C12 | N14 | C19 | 164.3° | 176.5° |
| C12 | N14 | C15 | C19 | 167.5° | 179.7° |
| C12 | N14 | C15 | C16 | 114.8° | 129.4° |
| C12 | N14 | C19 | C18 | 115.0° | 129.5° |
| C12 | N14 | C15 | H151 | 125.2° | 110.8° |
| C12 | N14 | C15 | H152 | 5.1° | 9.7° |
| C12 | N14 | C19 | H191 | 5.0° | 9.7° |
| C12 | N14 | C19 | H192 | 125.1° | 110.9° |
| N14 | C15 | C16 | H151 | 120.0° | 119.8° |
| N14 | C15 | C16 | H152 | 120.0° | 119.7° |
| N14 | C15 | C16 | O17 | 55.9° | 52.3° |
| C15 | N14 | C19 | C18 | 52.5° | 50.2° |
| N14 | C15 | H151 | H152 | 120.0° | 120.5° |
| C15 | N14 | C19 | H191 | 172.4° | 170.0° |
| C15 | N14 | C19 | H192 | 67.5° | 69.4° |
| N14 | C15 | C16 | H161 | 175.9° | 172.2° |
| N14 | C15 | C16 | H162 | 63.4° | 67.6° |
| C19 | N14 | C15 | C16 | 52.7° | 50.3° |
| N14 | C19 | C18 | O17 | 55.5° | 52.0° |
| N14 | C19 | C18 | H191 | 120.0° | 119.8° |
| N14 | C19 | C18 | H192 | 119.9° | 119.7° |
| C19 | N14 | C15 | H151 | 67.3° | 69.5° |
| C19 | N14 | C15 | H152 | 172.6° | 170.0° |
| N14 | C19 | H191 | H192 | 119.9° | 120.5° |
| N14 | C19 | C18 | H181 | 175.5° | 172.0° |
| N14 | C19 | C18 | H182 | 63.7° | 67.8° |
| C15 | C16 | O17 | H161 | 120.0° | 119.9° |
| C15 | C16 | O17 | H162 | 119.3° | 119.9° |
| C15 | C16 | O17 | C18 | 60.3° | 62.6° |
| C16 | C15 | H151 | H152 | 119.9° | 120.5° |
| C15 | C16 | H161 | H162 | 119.3° | 120.2° |
| C16 | O17 | C18 | C19 | 60.1° | 62.5° |
| O17 | C16 | C15 | H151 | 64.1° | 67.4° |
| O17 | C16 | C15 | H152 | 175.8° | 172.0° |
| O17 | C16 | H161 | H162 | 119.3° | 120.1° |
| C16 | O17 | C18 | H181 | 179.9° | 177.5° |
| C16 | O17 | C18 | H182 | 59.1° | 57.3° |
| O17 | C18 | C19 | H181 | 120.0° | 120.0° |
| O17 | C18 | C19 | H182 | 119.2° | 119.9° |
| O17 | C18 | C19 | H191 | 175.5° | 171.9° |
| O17 | C18 | C19 | H192 | 64.4° | 67.7° |
| C18 | O17 | C16 | H161 | 179.6° | 177.5° |
| C18 | O17 | C16 | H162 | 58.9° | 57.3° |
| O17 | C18 | H181 | H182 | 119.2° | 120.2° |
| C18 | C19 | H191 | H192 | 119.9° | 120.3° |
| C19 | C18 | H181 | H182 | 119.3° | 120.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H31C | C3 | H32C | H33C | 120.0° | 120.0° |
| H41C | C4 | H42C | H43C | 120.0° | 120.0° |
| H8 | C8 | C9 | H9 | 0.2° | 0.0° |
| H151 | C15 | C16 | H161 | 55.9° | 52.4° |
| H151 | C15 | C16 | H162 | 176.6° | 172.7° |
| H152 | C15 | C16 | H161 | 64.2° | 68.1° |
| H152 | C15 | C16 | H162 | 56.6° | 52.1° |
| H191 | C19 | C18 | H181 | 64.5° | 68.1° |
| H191 | C19 | C18 | H182 | 56.3° | 52.0° |
| H192 | C19 | C18 | H181 | 55.6° | 52.3° |
| H192 | C19 | C18 | H182 | 176.4° | 172.4° |
