P2C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL8 | C1 | sing | 1.74Å | 1.80Å | |
| C1 | C2 | doub | 1.39Å | 1.48Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | O9 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | sing | 1.39Å | 1.48Å | Aromatic |
| O9 | O10 | sing | 1.47Å | 1.48Å | |
| O10 | O11 | sing | 1.47Å | 1.29Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C3 | CL7 | sing | 1.74Å | 1.79Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C5 | N18 | sing | 1.40Å | 1.38Å | |
| N18 | C14 | sing | 1.39Å | 1.36Å | |
| N18 | H18 | sing | 0.97Å | 1.02Å | |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.50Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C19 | sing | 1.47Å | 1.52Å | |
| C19 | O21 | doub | 1.21Å | 1.25Å | |
| C19 | O20 | sing | 1.35Å | 1.26Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL8 | C1 | C2 | 118.3° | 120.0° |
| CL8 | C1 | C6 | 122.1° | 120.0° |
| C2 | C1 | C6 | 119.6° | 120.0° |
| C1 | C2 | O9 | 120.8° | 120.0° |
| C1 | C2 | C3 | 116.1° | 120.0° |
| C1 | C6 | C5 | 122.3° | 120.0° |
| C1 | C6 | H6 | 118.6° | 120.0° |
| O9 | C2 | C3 | 123.2° | 120.0° |
| C2 | O9 | O10 | 123.1° | 106.8° |
| C2 | C3 | CL7 | 121.5° | 120.0° |
| C2 | C3 | C4 | 120.2° | 120.0° |
| O9 | O10 | O11 | 121.4° | 106.8° |
| O10 | O11 | H11 | 121.4° | 106.8° |
| CL7 | C3 | C4 | 118.3° | 120.0° |
| C3 | C4 | C5 | 123.0° | 120.0° |
| C3 | C4 | H4 | 118.5° | 120.0° |
| C5 | C4 | H4 | 118.6° | 120.0° |
| C4 | C5 | C6 | 118.9° | 120.0° |
| C4 | C5 | N18 | 114.3° | 120.0° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C6 | C5 | N18 | 126.9° | 120.0° |
| C5 | N18 | C14 | 123.5° | 120.0° |
| C5 | N18 | H18 | 107.3° | 120.0° |
| C14 | N18 | H18 | 107.2° | 120.0° |
| N18 | C14 | C15 | 118.1° | 120.1° |
| N18 | C14 | C13 | 124.1° | 120.2° |
| C15 | C14 | C13 | 117.3° | 119.7° |
| C14 | C15 | C16 | 122.6° | 120.0° |
| C14 | C15 | H15 | 118.7° | 120.0° |
| C14 | C13 | C12 | 117.2° | 119.6° |
| C14 | C13 | C19 | 126.9° | 120.2° |
| C16 | C15 | H15 | 118.7° | 120.0° |
| C15 | C16 | C17 | 120.2° | 120.5° |
| C15 | C16 | H16 | 120.6° | 119.7° |
| C17 | C16 | H16 | 119.2° | 119.8° |
| C16 | C17 | C12 | 120.1° | 120.4° |
| C16 | C17 | H17 | 119.3° | 119.8° |
| C12 | C17 | H17 | 120.6° | 119.8° |
| C17 | C12 | C13 | 122.6° | 119.9° |
| C17 | C12 | H12 | 118.5° | 120.1° |
| C13 | C12 | H12 | 118.9° | 120.0° |
| C12 | C13 | C19 | 115.9° | 120.2° |
| C13 | C19 | O21 | 122.7° | 120.0° |
| C13 | C19 | O20 | 117.8° | 120.0° |
| O21 | C19 | O20 | 119.4° | 120.0° |
| C19 | O20 | H20 | 117.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL8 | C1 | C2 | C6 | 179.1° | 180.0° |
| CL8 | C1 | C2 | O9 | 0.1° | 0.0° |
| CL8 | C1 | C2 | C3 | 179.5° | 179.8° |
| CL8 | C1 | C6 | C5 | 179.4° | 180.0° |
| CL8 | C1 | C6 | H6 | 0.6° | 0.0° |
| C1 | C2 | O9 | C3 | 179.6° | 179.7° |
| C1 | C2 | O9 | O10 | 110.2° | 90.0° |
| C1 | C2 | C3 | CL7 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C2 | C1 | C6 | C5 | 1.5° | 0.0° |
| C2 | C1 | C6 | H6 | 178.5° | 180.0° |
| C6 | C1 | C2 | O9 | 179.2° | 180.0° |
| C6 | C1 | C2 | C3 | 0.4° | 0.3° |
| C1 | C6 | C5 | C4 | 2.2° | 0.0° |
| C1 | C6 | C5 | H6 | 179.9° | 180.0° |
| C1 | C6 | C5 | N18 | 177.1° | 179.9° |
| C2 | O9 | O10 | O11 | 132.0° | 180.0° |
| O9 | C2 | C3 | CL7 | 0.8° | 0.3° |
| O9 | C2 | C3 | C4 | 179.5° | 179.7° |
| C3 | C2 | O9 | O10 | 70.2° | 90.3° |
| C2 | C3 | CL7 | C4 | 179.8° | 179.5° |
| C2 | C3 | C4 | C5 | 1.0° | 0.5° |
| C2 | C3 | C4 | H4 | 178.9° | 179.8° |
| O9 | O10 | O11 | H11 | 180.0° | 180.0° |
| CL7 | C3 | C4 | C5 | 178.7° | 180.0° |
| CL7 | C3 | C4 | H4 | 1.3° | 0.3° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 2.0° | 0.3° |
| C3 | C4 | C5 | N18 | 177.4° | 179.7° |
| C4 | C5 | C6 | N18 | 179.4° | 179.9° |
| C4 | C5 | C6 | H6 | 177.7° | 180.0° |
| C4 | C5 | N18 | C14 | 179.8° | 4.1° |
| C4 | C5 | N18 | H18 | 55.0° | 175.9° |
| H4 | C4 | C5 | C6 | 178.0° | 180.0° |
| H4 | C4 | C5 | N18 | 2.6° | 0.0° |
| C6 | C5 | N18 | C14 | 0.4° | 175.9° |
| C6 | C5 | N18 | H18 | 125.6° | 4.1° |
| H6 | C6 | C5 | N18 | 2.9° | 0.1° |
| C5 | N18 | C14 | H18 | 125.3° | 180.0° |
| C5 | N18 | C14 | C15 | 29.2° | 102.3° |
| C5 | N18 | C14 | C13 | 142.7° | 77.4° |
| N18 | C14 | C15 | C13 | 172.4° | 179.7° |
| N18 | C14 | C15 | C16 | 172.7° | 180.0° |
| N18 | C14 | C15 | H15 | 7.3° | 0.0° |
| N18 | C14 | C13 | C12 | 172.5° | 179.7° |
| N18 | C14 | C13 | C19 | 7.3° | 0.3° |
| H18 | N18 | C14 | C15 | 154.5° | 77.7° |
| H18 | N18 | C14 | C13 | 17.4° | 102.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.3° | 0.1° |
| C14 | C15 | C16 | H16 | 179.7° | 180.0° |
| C15 | C14 | C13 | C12 | 0.5° | 0.6° |
| C15 | C14 | C13 | C19 | 179.2° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.3° |
| C13 | C14 | C15 | H15 | 179.7° | 179.7° |
| C14 | C13 | C12 | C17 | 0.3° | 0.6° |
| C14 | C13 | C12 | C19 | 179.8° | 179.4° |
| C14 | C13 | C12 | H12 | 179.8° | 179.7° |
| C14 | C13 | C19 | O21 | 12.4° | 5.8° |
| C14 | C13 | C19 | O20 | 170.9° | 174.2° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C12 | 0.6° | 0.1° |
| C15 | C16 | C17 | H17 | 179.4° | 180.0° |
| H15 | C15 | C16 | C17 | 179.7° | 180.0° |
| H15 | C15 | C16 | H16 | 0.3° | 0.1° |
| C16 | C17 | C12 | H17 | 180.0° | 179.9° |
| C16 | C17 | C12 | C13 | 0.3° | 0.3° |
| C16 | C17 | C12 | H12 | 179.7° | 180.0° |
| H16 | C16 | C17 | C12 | 179.4° | 180.0° |
| H16 | C16 | C17 | H17 | 0.6° | 0.0° |
| C17 | C12 | C13 | H12 | 180.0° | 179.7° |
| C17 | C12 | C13 | C19 | 179.5° | 180.0° |
| H17 | C17 | C12 | C13 | 179.7° | 179.7° |
| H17 | C17 | C12 | H12 | 0.3° | 0.0° |
| C12 | C13 | C19 | O21 | 167.3° | 173.6° |
| C12 | C13 | C19 | O20 | 9.4° | 6.5° |
| H12 | C12 | C13 | C19 | 0.5° | 0.3° |
| C13 | C19 | O21 | O20 | 176.6° | 180.0° |
| C13 | C19 | O20 | H20 | 180.0° | 180.0° |
| O21 | C19 | O20 | H20 | 3.2° | 0.0° |
