5PZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| CL1 | C19 | sing | 1.74Å | 1.74Å | |
| C19 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C14 | sing | 1.51Å | 1.51Å | |
| C16 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | O15 | sing | 1.43Å | 1.35Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| C21 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C21 | CL2 | sing | 1.74Å | 1.73Å | |
| C27 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C24 | C29 | doub | 1.39Å | 1.32Å | Aromatic |
| C24 | N12 | sing | 1.39Å | 1.44Å | |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | N12 | sing | 1.47Å | 1.48Å | |
| C29 | N09 | sing | 1.39Å | 1.45Å | |
| N12 | C10 | sing | 1.37Å | 1.37Å | |
| C01 | C02 | sing | 1.51Å | 1.49Å | |
| C03 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C02 | C07 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | N09 | sing | 1.37Å | 1.40Å | |
| C10 | N11 | doub | 1.31Å | 1.31Å | |
| N09 | C08 | sing | 1.46Å | 1.46Å | |
| C07 | C06 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C08 | sing | 1.51Å | 1.49Å | |
| C05 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.08Å | 1.08Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.08Å | 1.08Å | |
| C04 | H10 | sing | 1.08Å | 1.08Å | |
| C05 | H11 | sing | 1.08Å | 1.08Å | |
| C06 | H12 | sing | 1.08Å | 1.08Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| N11 | H15 | sing | 0.97Å | 1.00Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| O15 | H18 | sing | 0.97Å | 0.95Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 120.1° | 120.0° |
| C18 | C17 | C16 | 119.1° | 120.0° |
| C18 | C17 | H3 | 120.4° | 120.0° |
| C17 | C18 | H19 | 120.0° | 120.0° |
| C18 | C19 | CL1 | 120.0° | 120.0° |
| C18 | C19 | C21 | 119.0° | 120.0° |
| C19 | C18 | H19 | 120.0° | 120.0° |
| C17 | C16 | C14 | 121.9° | 120.0° |
| C17 | C16 | C23 | 121.8° | 120.0° |
| C16 | C17 | H3 | 120.4° | 120.0° |
| CL1 | C19 | C21 | 120.9° | 120.0° |
| C19 | C21 | C23 | 121.4° | 120.0° |
| C19 | C21 | CL2 | 121.6° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.3° |
| C26 | C25 | C24 | 120.6° | 119.9° |
| C25 | C26 | H4 | 120.0° | 119.9° |
| C26 | C25 | H21 | 119.7° | 120.1° |
| C26 | C27 | C28 | 119.2° | 120.2° |
| C27 | C26 | H4 | 120.1° | 119.8° |
| C26 | C27 | H22 | 120.4° | 119.9° |
| C14 | C16 | C23 | 116.3° | 120.0° |
| C16 | C14 | O15 | 109.4° | 109.5° |
| C16 | C14 | C13 | 116.5° | 109.4° |
| C16 | C14 | H17 | 106.2° | 109.5° |
| C16 | C23 | C21 | 118.6° | 120.0° |
| C16 | C23 | H20 | 120.7° | 120.0° |
| C25 | C24 | C29 | 120.2° | 119.8° |
| C25 | C24 | N12 | 131.6° | 132.7° |
| C24 | C25 | H21 | 119.7° | 120.0° |
| O15 | C14 | C13 | 109.9° | 109.5° |
| O15 | C14 | H17 | 108.1° | 109.5° |
| C14 | O15 | H18 | 109.5° | 114.0° |
| C14 | C13 | N12 | 113.2° | 109.5° |
| C14 | C13 | H1 | 108.5° | 109.5° |
| C14 | C13 | H2 | 108.5° | 109.5° |
| C13 | C14 | H17 | 106.3° | 109.5° |
| C23 | C21 | CL2 | 117.1° | 120.0° |
| C21 | C23 | H20 | 120.7° | 120.1° |
| C27 | C28 | C29 | 119.7° | 119.9° |
| C27 | C28 | H5 | 120.2° | 120.0° |
| C28 | C27 | H22 | 120.4° | 119.9° |
| C29 | C24 | N12 | 108.1° | 107.5° |
| C24 | C29 | C28 | 120.3° | 119.8° |
| C24 | C29 | N09 | 107.5° | 107.4° |
| C24 | N12 | C13 | 125.7° | 126.0° |
| C24 | N12 | C10 | 110.1° | 108.1° |
| C28 | C29 | N09 | 132.2° | 132.7° |
| C29 | C28 | H5 | 120.1° | 120.0° |
| C13 | N12 | C10 | 124.0° | 125.9° |
| N12 | C13 | H1 | 108.5° | 109.5° |
| N12 | C13 | H2 | 108.5° | 109.4° |
| C29 | N09 | C10 | 108.7° | 108.2° |
| C29 | N09 | C08 | 126.9° | 126.0° |
| N12 | C10 | N09 | 105.5° | 108.8° |
| N12 | C10 | N11 | 124.2° | 125.6° |
| C01 | C02 | C03 | 115.2° | 120.0° |
| C01 | C02 | C07 | 124.7° | 120.0° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C04 | C03 | C02 | 119.8° | 120.0° |
| C03 | C04 | C05 | 120.3° | 120.0° |
| C04 | C03 | H9 | 120.1° | 120.0° |
| C03 | C04 | H10 | 119.8° | 120.0° |
| C03 | C02 | C07 | 120.1° | 120.0° |
| C02 | C03 | H9 | 120.1° | 120.1° |
| C04 | C05 | C06 | 119.0° | 120.0° |
| C05 | C04 | H10 | 119.8° | 120.0° |
| C04 | C05 | H11 | 120.5° | 120.0° |
| C02 | C07 | C06 | 121.1° | 120.0° |
| C02 | C07 | C08 | 123.5° | 120.0° |
| N09 | C10 | N11 | 130.2° | 125.6° |
| C10 | N09 | C08 | 124.3° | 125.9° |
| C10 | N11 | H15 | 112.0° | 120.0° |
| N09 | C08 | C07 | 119.4° | 109.5° |
| N09 | C08 | H13 | 106.9° | 109.5° |
| N09 | C08 | H14 | 106.9° | 109.4° |
| C06 | C07 | C08 | 115.2° | 120.0° |
| C07 | C06 | C05 | 119.5° | 120.0° |
| C07 | C06 | H12 | 120.2° | 120.0° |
| C07 | C08 | H13 | 106.9° | 109.5° |
| C07 | C08 | H14 | 107.0° | 109.4° |
| C06 | C05 | H11 | 120.5° | 120.0° |
| C05 | C06 | H12 | 120.3° | 120.0° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H13 | C08 | H14 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C17 | C16 | H3 | 180.0° | 179.8° |
| C17 | C18 | C19 | CL1 | 179.4° | 180.0° |
| C17 | C18 | C19 | C21 | 0.5° | 0.0° |
| C18 | C17 | C16 | C14 | 179.8° | 179.7° |
| C18 | C17 | C16 | C23 | 0.4° | 0.2° |
| C19 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C19 | CL1 | C21 | 179.9° | 180.0° |
| C18 | C19 | C21 | C23 | 0.3° | 0.3° |
| C18 | C19 | C21 | CL2 | 177.8° | 179.7° |
| C19 | C18 | C17 | H3 | 179.9° | 179.8° |
| C17 | C16 | C14 | C23 | 179.4° | 179.9° |
| C17 | C16 | C14 | O15 | 132.5° | 145.0° |
| C17 | C16 | C14 | C13 | 102.1° | 95.0° |
| C17 | C16 | C23 | C21 | 0.6° | 0.6° |
| C17 | C16 | C14 | H17 | 16.0° | 25.0° |
| C16 | C17 | C18 | H19 | 179.8° | 180.0° |
| C17 | C16 | C23 | H20 | 179.4° | 179.9° |
| CL1 | C19 | C21 | C23 | 179.6° | 179.7° |
| CL1 | C19 | C21 | CL2 | 2.3° | 0.3° |
| CL1 | C19 | C18 | H19 | 0.6° | 0.0° |
| C19 | C21 | C23 | C16 | 0.2° | 0.6° |
| C19 | C21 | C23 | CL2 | 178.2° | 179.4° |
| C21 | C19 | C18 | H19 | 179.5° | 180.0° |
| C19 | C21 | C23 | H20 | 179.8° | 180.0° |
| C25 | C26 | C27 | H4 | 180.0° | 180.0° |
| C26 | C25 | C24 | H21 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 2.8° | 0.0° |
| C26 | C25 | C24 | C29 | 0.2° | 0.0° |
| C26 | C25 | C24 | N12 | 177.7° | 180.0° |
| C25 | C26 | C27 | H22 | 177.2° | 180.0° |
| C27 | C26 | C25 | C24 | 1.9° | 0.0° |
| C26 | C27 | C28 | H22 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 1.7° | 0.0° |
| C26 | C27 | C28 | H5 | 178.3° | 180.0° |
| C27 | C26 | C25 | H21 | 178.0° | 180.0° |
| C16 | C14 | O15 | C13 | 129.2° | 120.0° |
| C16 | C14 | O15 | H17 | 115.2° | 120.0° |
| C16 | C14 | C13 | H17 | 118.1° | 120.0° |
| C14 | C16 | C23 | C21 | 180.0° | 179.4° |
| C16 | C14 | C13 | N12 | 17.8° | 180.0° |
| C16 | C14 | C13 | H1 | 138.3° | 60.0° |
| C16 | C14 | C13 | H2 | 102.8° | 60.0° |
| C14 | C16 | C17 | H3 | 0.2° | 0.1° |
| C16 | C14 | O15 | H18 | 180.0° | 60.0° |
| C14 | C16 | C23 | H20 | 0.0° | 0.0° |
| C23 | C16 | C14 | O15 | 47.0° | 35.0° |
| C23 | C16 | C14 | C13 | 78.5° | 85.0° |
| C16 | C23 | C21 | H20 | 180.0° | 179.4° |
| C16 | C23 | C21 | CL2 | 178.4° | 180.0° |
| C23 | C16 | C17 | H3 | 179.6° | 179.9° |
| C23 | C16 | C14 | H17 | 163.4° | 155.0° |
| C25 | C24 | C29 | N12 | 178.4° | 179.9° |
| C25 | C24 | C29 | C28 | 1.4° | 0.0° |
| C25 | C24 | N12 | C13 | 5.1° | 0.0° |
| C25 | C24 | C29 | N09 | 178.3° | 179.9° |
| C25 | C24 | N12 | C10 | 179.5° | 179.9° |
| C24 | C25 | C26 | H4 | 178.1° | 180.0° |
| O15 | C14 | C13 | H17 | 116.7° | 120.0° |
| O15 | C14 | C13 | N12 | 143.0° | 60.0° |
| O15 | C14 | C13 | H1 | 96.5° | 180.0° |
| O15 | C14 | C13 | H2 | 22.4° | 60.0° |
| C14 | C13 | N12 | C24 | 73.5° | 90.0° |
| C14 | C13 | N12 | H1 | 120.6° | 120.0° |
| C14 | C13 | N12 | H2 | 120.6° | 120.0° |
| C14 | C13 | N12 | C10 | 101.3° | 90.0° |
| C14 | C13 | H1 | H2 | 118.3° | 120.0° |
| C13 | C14 | O15 | H18 | 50.9° | 60.0° |
| CL2 | C21 | C23 | H20 | 1.6° | 0.7° |
| C27 | C28 | C29 | C24 | 0.5° | 0.0° |
| C27 | C28 | C29 | H5 | 180.0° | 180.0° |
| C27 | C28 | C29 | N09 | 176.4° | 180.0° |
| C28 | C27 | C26 | H4 | 177.2° | 180.0° |
| C24 | C29 | C28 | N09 | 175.9° | 180.0° |
| C29 | C24 | N12 | C13 | 176.8° | 179.9° |
| C29 | C24 | N12 | C10 | 1.4° | 0.0° |
| C24 | C29 | N09 | C10 | 1.5° | 0.0° |
| C24 | C29 | N09 | C08 | 175.4° | 179.9° |
| C24 | C29 | C28 | H5 | 179.5° | 180.0° |
| C29 | C24 | C25 | H21 | 179.8° | 180.0° |
| N12 | C24 | C29 | C28 | 176.9° | 180.0° |
| C24 | N12 | C13 | C10 | 174.8° | 179.9° |
| N12 | C24 | C29 | N09 | 0.1° | 0.0° |
| C24 | N12 | C10 | N09 | 2.3° | 0.0° |
| C24 | N12 | C10 | N11 | 179.5° | 179.7° |
| C24 | N12 | C13 | H1 | 47.0° | 30.1° |
| C24 | N12 | C13 | H2 | 165.9° | 150.0° |
| N12 | C24 | C25 | H21 | 2.3° | 0.1° |
| C28 | C29 | N09 | C10 | 177.8° | 180.0° |
| C28 | C29 | N09 | C08 | 0.9° | 0.1° |
| C29 | C28 | C27 | H22 | 178.4° | 180.0° |
| C13 | N12 | C10 | N09 | 177.8° | 179.9° |
| C13 | N12 | C10 | N11 | 4.1° | 0.2° |
| N12 | C13 | H1 | H2 | 118.3° | 119.9° |
| N12 | C13 | C14 | H17 | 100.3° | 60.0° |
| C29 | N09 | C10 | N12 | 2.3° | 0.0° |
| C29 | N09 | C10 | C08 | 177.0° | 179.9° |
| C29 | N09 | C10 | N11 | 179.7° | 179.7° |
| C29 | N09 | C08 | C07 | 51.8° | 88.4° |
| N09 | C29 | C28 | H5 | 3.6° | 0.1° |
| C29 | N09 | C08 | H13 | 69.6° | 151.5° |
| C29 | N09 | C08 | H14 | 173.2° | 31.5° |
| N12 | C10 | N09 | N11 | 178.0° | 179.7° |
| N12 | C10 | N09 | C08 | 174.7° | 179.8° |
| C10 | N12 | C13 | H1 | 138.2° | 150.0° |
| C10 | N12 | C13 | H2 | 19.3° | 30.1° |
| N12 | C10 | N11 | H15 | 177.7° | 179.8° |
| C01 | C02 | C03 | C04 | 179.1° | 180.0° |
| C01 | C02 | C03 | C07 | 177.9° | 179.7° |
| C01 | C02 | C07 | C06 | 178.3° | 179.7° |
| C01 | C02 | C07 | C08 | 3.1° | 0.1° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C01 | C02 | C03 | H9 | 0.9° | 0.0° |
| C04 | C03 | C02 | H9 | 180.0° | 180.0° |
| C03 | C04 | C05 | H10 | 180.0° | 179.9° |
| C04 | C03 | C02 | C07 | 1.2° | 0.3° |
| C03 | C04 | C05 | C06 | 1.9° | 0.0° |
| C03 | C04 | C05 | H11 | 178.1° | 179.9° |
| C02 | C03 | C04 | C05 | 1.8° | 0.0° |
| C03 | C02 | C07 | C06 | 4.0° | 0.5° |
| C03 | C02 | C07 | C08 | 179.3° | 179.7° |
| C03 | C02 | C01 | H6 | 90.9° | 95.7° |
| C03 | C02 | C01 | H7 | 149.1° | 24.3° |
| C03 | C02 | C01 | H8 | 29.1° | 144.3° |
| C02 | C03 | C04 | H10 | 178.2° | 179.9° |
| C04 | C05 | C06 | C07 | 0.8° | 0.3° |
| C04 | C05 | C06 | H11 | 180.0° | 179.9° |
| C05 | C04 | C03 | H9 | 178.3° | 180.0° |
| C04 | C05 | C06 | H12 | 179.2° | 180.0° |
| C02 | C07 | C08 | N09 | 70.7° | 176.1° |
| C02 | C07 | C06 | C08 | 175.6° | 179.8° |
| C02 | C07 | C06 | C05 | 3.8° | 0.6° |
| C07 | C02 | C01 | H6 | 91.3° | 84.1° |
| C07 | C02 | C01 | H7 | 28.7° | 155.9° |
| C07 | C02 | C01 | H8 | 148.7° | 35.9° |
| C07 | C02 | C03 | H9 | 178.8° | 179.8° |
| C02 | C07 | C06 | H12 | 176.2° | 179.8° |
| C02 | C07 | C08 | H13 | 167.9° | 56.0° |
| C02 | C07 | C08 | H14 | 50.7° | 64.0° |
| C10 | N09 | C08 | C07 | 131.8° | 91.7° |
| C10 | N09 | C08 | H13 | 106.8° | 28.4° |
| C10 | N09 | C08 | H14 | 10.4° | 148.3° |
| N09 | C10 | N11 | H15 | 0.0° | 0.1° |
| N11 | C10 | N09 | C08 | 3.3° | 0.2° |
| N09 | C08 | C07 | C06 | 113.8° | 4.1° |
| N09 | C08 | C07 | H13 | 121.4° | 120.1° |
| N09 | C08 | C07 | H14 | 121.4° | 119.9° |
| N09 | C08 | H13 | H14 | 115.5° | 119.9° |
| C07 | C06 | C05 | H12 | 180.0° | 179.7° |
| C07 | C06 | C05 | H11 | 179.2° | 179.8° |
| C06 | C07 | C08 | H13 | 7.6° | 124.2° |
| C06 | C07 | C08 | H14 | 124.8° | 115.8° |
| C08 | C07 | C06 | C05 | 179.4° | 179.6° |
| C08 | C07 | C06 | H12 | 0.5° | 0.0° |
| C07 | C08 | H13 | H14 | 115.5° | 120.0° |
| C06 | C05 | C04 | H10 | 178.1° | 179.9° |
| H1 | C13 | C14 | H17 | 20.3° | 60.0° |
| H2 | C13 | C14 | H17 | 139.1° | 180.0° |
| H3 | C17 | C18 | H19 | 0.2° | 0.2° |
| H4 | C26 | C25 | H21 | 2.0° | 0.0° |
| H4 | C26 | C27 | H22 | 2.8° | 0.0° |
| H5 | C28 | C27 | H22 | 1.7° | 0.0° |
| H6 | C01 | H7 | H8 | 120.0° | 120.0° |
| H9 | C03 | C04 | H10 | 1.7° | 0.1° |
| H10 | C04 | C05 | H11 | 1.9° | 0.0° |
| H11 | C05 | C06 | H12 | 0.8° | 0.2° |
| H17 | C14 | O15 | H18 | 64.7° | 180.0° |
