P5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | N14 | sing | 1.47Å | 1.51Å | |
| C09 | N08 | sing | 1.47Å | 1.48Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| C07 | N08 | sing | 1.47Å | 1.50Å | |
| C07 | C06 | sing | 1.51Å | 1.55Å | |
| N08 | C22 | sing | 1.35Å | 1.51Å | |
| N14 | C10 | sing | 1.35Å | 1.43Å | Aromatic |
| N14 | N13 | sing | 1.29Å | 1.37Å | Aromatic |
| C10 | N11 | doub | 1.31Å | 1.35Å | Aromatic |
| C34 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C23 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | O33 | doub | 1.22Å | 1.18Å | |
| C22 | C23 | sing | 1.48Å | 1.55Å | |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | N12 | doub | 1.29Å | 1.28Å | Aromatic |
| C35 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| N11 | N12 | sing | 1.29Å | 1.35Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C04 | sing | 1.40Å | 1.42Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.56Å | |
| C24 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.55Å | |
| N36 | C02 | sing | 1.35Å | 1.48Å | |
| N36 | O37 | sing | 1.42Å | 1.36Å | |
| F28 | C25 | sing | 1.40Å | 1.33Å | |
| C02 | O01 | doub | 1.21Å | 1.13Å | |
| C25 | F27 | sing | 1.40Å | 1.36Å | |
| C25 | F26 | sing | 1.40Å | 1.32Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C07 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C31 | H16 | sing | 1.08Å | 1.08Å | |
| C32 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| N36 | H20 | sing | 0.97Å | 1.00Å | |
| O37 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C18 | 119.1° | 120.1° |
| C19 | C20 | C21 | 120.6° | 120.0° |
| C19 | C20 | H4 | 119.7° | 120.0° |
| C20 | C19 | H13 | 120.5° | 120.0° |
| C19 | C18 | C17 | 120.2° | 120.0° |
| C19 | C18 | H12 | 119.9° | 120.0° |
| C18 | C19 | H13 | 120.4° | 120.0° |
| C20 | C21 | C16 | 121.2° | 120.0° |
| C21 | C20 | H4 | 119.7° | 120.0° |
| C20 | C21 | H5 | 119.4° | 120.0° |
| C18 | C17 | C16 | 121.9° | 120.0° |
| C18 | C17 | H3 | 119.0° | 120.0° |
| C17 | C18 | H12 | 119.9° | 120.0° |
| C21 | C16 | C17 | 117.1° | 120.0° |
| C21 | C16 | C15 | 122.1° | 120.0° |
| C16 | C21 | H5 | 119.4° | 120.0° |
| C17 | C16 | C15 | 120.8° | 120.0° |
| C16 | C17 | H3 | 119.0° | 120.0° |
| C16 | C15 | N14 | 116.6° | 109.4° |
| C16 | C15 | H1 | 107.7° | 109.5° |
| C16 | C15 | H2 | 107.7° | 109.5° |
| C15 | N14 | C10 | 129.8° | 126.4° |
| C15 | N14 | N13 | 123.9° | 126.4° |
| N14 | C15 | H1 | 107.7° | 109.5° |
| N14 | C15 | H2 | 107.7° | 109.5° |
| N08 | C09 | C10 | 110.8° | 109.5° |
| C09 | N08 | C07 | 115.9° | 120.0° |
| C09 | N08 | C22 | 122.3° | 120.0° |
| N08 | C09 | H10 | 109.1° | 109.5° |
| N08 | C09 | H11 | 109.2° | 109.5° |
| C09 | C10 | N14 | 127.1° | 126.7° |
| C09 | C10 | N11 | 126.7° | 126.7° |
| C10 | C09 | H10 | 109.1° | 109.4° |
| C10 | C09 | H11 | 109.1° | 109.4° |
| N08 | C07 | C06 | 117.7° | 109.5° |
| C07 | N08 | C22 | 121.7° | 120.0° |
| N08 | C07 | H8 | 107.4° | 109.5° |
| N08 | C07 | H9 | 107.4° | 109.4° |
| C07 | C06 | C34 | 119.5° | 119.8° |
| C07 | C06 | C05 | 125.4° | 119.9° |
| C06 | C07 | H8 | 107.4° | 109.5° |
| C06 | C07 | H9 | 107.4° | 109.5° |
| N08 | C22 | O33 | 119.1° | 120.0° |
| N08 | C22 | C23 | 121.6° | 120.0° |
| C10 | N14 | N13 | 106.3° | 107.2° |
| N14 | C10 | N11 | 106.1° | 106.6° |
| N14 | N13 | N12 | 107.9° | 108.8° |
| C10 | N11 | N12 | 106.9° | 108.0° |
| C06 | C34 | C35 | 123.7° | 120.2° |
| C34 | C06 | C05 | 115.0° | 120.3° |
| C06 | C34 | H18 | 118.1° | 119.9° |
| C34 | C35 | C03 | 122.3° | 119.9° |
| C35 | C34 | H18 | 118.1° | 119.9° |
| C34 | C35 | H19 | 118.8° | 120.1° |
| C31 | C32 | C23 | 122.7° | 119.8° |
| C32 | C31 | C30 | 120.3° | 120.1° |
| C32 | C31 | H16 | 119.8° | 119.9° |
| C31 | C32 | H17 | 118.7° | 120.1° |
| C32 | C23 | C22 | 123.3° | 120.1° |
| C32 | C23 | C24 | 115.5° | 119.7° |
| C23 | C32 | H17 | 118.6° | 120.1° |
| O33 | C22 | C23 | 119.3° | 119.9° |
| C22 | C23 | C24 | 121.1° | 120.2° |
| C06 | C05 | C04 | 121.6° | 120.1° |
| C06 | C05 | H7 | 119.2° | 119.9° |
| C31 | C30 | C29 | 119.4° | 120.3° |
| C31 | C30 | H15 | 120.3° | 119.8° |
| C30 | C31 | H16 | 119.9° | 120.0° |
| N13 | N12 | N11 | 112.8° | 109.4° |
| C35 | C03 | C04 | 114.3° | 119.7° |
| C35 | C03 | C02 | 124.1° | 120.2° |
| C03 | C35 | H19 | 118.8° | 120.0° |
| C23 | C24 | C29 | 122.6° | 119.8° |
| C23 | C24 | C25 | 120.2° | 120.1° |
| C05 | C04 | C03 | 123.0° | 119.9° |
| C05 | C04 | H6 | 118.5° | 120.1° |
| C04 | C05 | H7 | 119.2° | 120.0° |
| C30 | C29 | C24 | 119.5° | 120.1° |
| C30 | C29 | H14 | 120.2° | 119.9° |
| C29 | C30 | H15 | 120.3° | 119.8° |
| C04 | C03 | C02 | 121.6° | 120.2° |
| C03 | C04 | H6 | 118.5° | 120.0° |
| C03 | C02 | N36 | 118.8° | 120.0° |
| C03 | C02 | O01 | 122.0° | 120.0° |
| C29 | C24 | C25 | 117.2° | 120.1° |
| C24 | C29 | H14 | 120.3° | 119.9° |
| C24 | C25 | F28 | 116.7° | 109.5° |
| C24 | C25 | F27 | 111.5° | 109.5° |
| C24 | C25 | F26 | 114.0° | 109.5° |
| C02 | N36 | O37 | 121.0° | 120.0° |
| N36 | C02 | O01 | 119.2° | 120.0° |
| C02 | N36 | H20 | 119.5° | 120.0° |
| O37 | N36 | H20 | 119.5° | 120.0° |
| N36 | O37 | H21 | 109.5° | 114.0° |
| F28 | C25 | F27 | 103.5° | 109.5° |
| F28 | C25 | F26 | 105.2° | 109.5° |
| F27 | C25 | F26 | 104.8° | 109.5° |
| H1 | C15 | H2 | 109.5° | 109.5° |
| H8 | C07 | H9 | 109.5° | 109.5° |
| H10 | C09 | H11 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C18 | H13 | 180.0° | 179.7° |
| C19 | C20 | C21 | H4 | 180.0° | 179.4° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C19 | C20 | C21 | C16 | 0.2° | 0.6° |
| C19 | C20 | C21 | H5 | 179.8° | 179.5° |
| C20 | C19 | C18 | H12 | 179.8° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.3° |
| C19 | C18 | C17 | H12 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.4° | 0.1° |
| C19 | C18 | C17 | H3 | 179.6° | 179.7° |
| C18 | C19 | C20 | H4 | 179.7° | 179.7° |
| C20 | C21 | C16 | H5 | 180.0° | 179.9° |
| C20 | C21 | C16 | C17 | 0.7° | 0.6° |
| C20 | C21 | C16 | C15 | 179.5° | 179.5° |
| C21 | C20 | C19 | H13 | 179.8° | 180.0° |
| C18 | C17 | C16 | C21 | 0.8° | 0.4° |
| C18 | C17 | C16 | H3 | 180.0° | 179.7° |
| C18 | C17 | C16 | C15 | 179.6° | 179.7° |
| C17 | C18 | C19 | H13 | 179.9° | 179.8° |
| C21 | C16 | C17 | C15 | 178.8° | 179.9° |
| C21 | C16 | C15 | N14 | 57.2° | 84.1° |
| C21 | C16 | C15 | H1 | 63.9° | 35.8° |
| C21 | C16 | C15 | H2 | 178.2° | 155.9° |
| C21 | C16 | C17 | H3 | 179.2° | 180.0° |
| C16 | C21 | C20 | H4 | 179.8° | 180.0° |
| C17 | C16 | C15 | N14 | 124.1° | 96.0° |
| C17 | C16 | C15 | H1 | 114.9° | 144.0° |
| C17 | C16 | C15 | H2 | 3.0° | 24.0° |
| C17 | C16 | C21 | H5 | 179.3° | 179.4° |
| C16 | C17 | C18 | H12 | 179.6° | 180.0° |
| C16 | C15 | N14 | H1 | 121.0° | 120.0° |
| C16 | C15 | N14 | H2 | 121.0° | 120.0° |
| C16 | C15 | N14 | C10 | 116.1° | 86.8° |
| C16 | C15 | N14 | N13 | 65.3° | 93.3° |
| C16 | C15 | H1 | H2 | 116.8° | 120.0° |
| C15 | C16 | C17 | H3 | 0.3° | 0.1° |
| C15 | C16 | C21 | H5 | 0.5° | 0.4° |
| C15 | N14 | C10 | C09 | 0.9° | 0.3° |
| C15 | N14 | C10 | N13 | 178.7° | 179.9° |
| C15 | N14 | C10 | N11 | 177.0° | 179.9° |
| C15 | N14 | N13 | N12 | 177.4° | 179.7° |
| N14 | C15 | H1 | H2 | 116.8° | 120.0° |
| N08 | C09 | C10 | H10 | 120.2° | 120.0° |
| N08 | C09 | C10 | H11 | 120.2° | 120.0° |
| C09 | N08 | C07 | C22 | 177.7° | 180.0° |
| C09 | N08 | C07 | C06 | 69.6° | 95.8° |
| N08 | C09 | C10 | N14 | 101.3° | 97.6° |
| N08 | C09 | C10 | N11 | 74.0° | 82.7° |
| C09 | N08 | C22 | O33 | 0.5° | 178.6° |
| C09 | N08 | C22 | C23 | 178.8° | 1.4° |
| C09 | N08 | C07 | H8 | 51.5° | 24.3° |
| C09 | N08 | C07 | H9 | 169.2° | 144.2° |
| N08 | C09 | H10 | H11 | 119.4° | 120.1° |
| C10 | C09 | N08 | C07 | 142.3° | 63.9° |
| C10 | C09 | N08 | C22 | 40.0° | 116.1° |
| C09 | C10 | N14 | N11 | 176.1° | 179.7° |
| C09 | C10 | N14 | N13 | 177.8° | 179.7° |
| C09 | C10 | N11 | N12 | 177.6° | 180.0° |
| C10 | C09 | H10 | H11 | 119.4° | 119.9° |
| N08 | C07 | C06 | H8 | 121.2° | 120.0° |
| N08 | C07 | C06 | H9 | 121.2° | 120.0° |
| N08 | C07 | C06 | C34 | 150.2° | 84.4° |
| C07 | N08 | C22 | O33 | 178.0° | 1.4° |
| C07 | N08 | C22 | C23 | 3.6° | 178.6° |
| N08 | C07 | C06 | C05 | 32.2° | 95.6° |
| N08 | C07 | H8 | H9 | 116.3° | 119.9° |
| C07 | N08 | C09 | H10 | 97.4° | 56.0° |
| C07 | N08 | C09 | H11 | 22.1° | 176.1° |
| C06 | C07 | N08 | C22 | 112.7° | 84.2° |
| C07 | C06 | C34 | C05 | 177.8° | 180.0° |
| C07 | C06 | C34 | C35 | 178.2° | 179.7° |
| C07 | C06 | C05 | C04 | 178.4° | 180.0° |
| C07 | C06 | C05 | H7 | 1.6° | 0.0° |
| C06 | C07 | H8 | H9 | 116.2° | 120.0° |
| C07 | C06 | C34 | H18 | 1.8° | 0.0° |
| N08 | C22 | C23 | C32 | 70.4° | 35.8° |
| N08 | C22 | O33 | C23 | 178.4° | 180.0° |
| N08 | C22 | C23 | C24 | 112.7° | 144.2° |
| C22 | N08 | C07 | H8 | 126.1° | 155.8° |
| C22 | N08 | C07 | H9 | 8.5° | 35.8° |
| C22 | N08 | C09 | H10 | 80.2° | 124.0° |
| C22 | N08 | C09 | H11 | 160.2° | 3.9° |
| C10 | N14 | N13 | N12 | 1.4° | 0.2° |
| N14 | C10 | N11 | N12 | 1.5° | 0.3° |
| C10 | N14 | C15 | H1 | 4.9° | 153.2° |
| C10 | N14 | C15 | H2 | 122.8° | 33.2° |
| N14 | C10 | C09 | H10 | 18.9° | 22.4° |
| N14 | C10 | C09 | H11 | 138.4° | 142.4° |
| N13 | N14 | C10 | N11 | 1.8° | 0.0° |
| N14 | N13 | N12 | N11 | 0.5° | 0.4° |
| N13 | N14 | C15 | H1 | 173.7° | 26.7° |
| N13 | N14 | C15 | H2 | 55.7° | 146.7° |
| C10 | N11 | N12 | N13 | 0.6° | 0.4° |
| N11 | C10 | C09 | H10 | 165.8° | 157.3° |
| N11 | C10 | C09 | H11 | 46.3° | 37.3° |
| C06 | C34 | C35 | H18 | 180.0° | 179.7° |
| C06 | C34 | C35 | C03 | 0.3° | 0.7° |
| C34 | C06 | C05 | C04 | 0.8° | 0.0° |
| C34 | C06 | C05 | H7 | 179.2° | 180.0° |
| C34 | C06 | C07 | H8 | 29.1° | 35.6° |
| C34 | C06 | C07 | H9 | 88.6° | 155.6° |
| C06 | C34 | C35 | H19 | 179.7° | 180.0° |
| C35 | C34 | C06 | C05 | 0.4° | 0.3° |
| C34 | C35 | C03 | H19 | 180.0° | 179.3° |
| C34 | C35 | C03 | C04 | 0.4° | 0.7° |
| C34 | C35 | C03 | C02 | 179.1° | 179.7° |
| C31 | C32 | C23 | H17 | 180.0° | 179.2° |
| C31 | C32 | C23 | C22 | 178.2° | 179.5° |
| C32 | C31 | C30 | H16 | 180.0° | 179.4° |
| C31 | C32 | C23 | C24 | 1.1° | 0.5° |
| C32 | C31 | C30 | C29 | 0.4° | 0.6° |
| C32 | C31 | C30 | H15 | 179.6° | 179.5° |
| C32 | C23 | C22 | O33 | 111.3° | 144.2° |
| C32 | C23 | C22 | C24 | 176.9° | 180.0° |
| C23 | C32 | C31 | C30 | 1.3° | 0.8° |
| C32 | C23 | C24 | C29 | 0.1° | 0.0° |
| C32 | C23 | C24 | C25 | 178.9° | 179.7° |
| C23 | C32 | C31 | H16 | 178.7° | 179.8° |
| O33 | C22 | C23 | C24 | 65.7° | 35.8° |
| C22 | C23 | C24 | C29 | 177.3° | 180.0° |
| C22 | C23 | C24 | C25 | 1.7° | 0.3° |
| C22 | C23 | C32 | H17 | 1.8° | 0.3° |
| C06 | C05 | C04 | H7 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 1.1° | 0.0° |
| C06 | C05 | C04 | H6 | 178.9° | 180.0° |
| C05 | C06 | C07 | H8 | 153.4° | 144.4° |
| C05 | C06 | C07 | H9 | 89.0° | 24.4° |
| C05 | C06 | C34 | H18 | 179.6° | 180.0° |
| C31 | C30 | C29 | H15 | 180.0° | 179.9° |
| C31 | C30 | C29 | C24 | 0.5° | 0.0° |
| C31 | C30 | C29 | H14 | 179.5° | 180.0° |
| C30 | C31 | C32 | H17 | 178.7° | 180.0° |
| C35 | C03 | C04 | C05 | 0.8° | 0.3° |
| C35 | C03 | C04 | C02 | 178.7° | 179.6° |
| C35 | C03 | C02 | N36 | 26.9° | 0.4° |
| C35 | C03 | C02 | O01 | 155.2° | 179.7° |
| C35 | C03 | C04 | H6 | 179.2° | 179.7° |
| C03 | C35 | C34 | H18 | 179.7° | 179.6° |
| C23 | C24 | C29 | C30 | 0.7° | 0.3° |
| C23 | C24 | C29 | C25 | 179.0° | 179.7° |
| C23 | C24 | C25 | F28 | 32.1° | 60.3° |
| C23 | C24 | C25 | F27 | 86.4° | 179.7° |
| C23 | C24 | C25 | F26 | 155.2° | 59.7° |
| C23 | C24 | C29 | H14 | 179.3° | 179.7° |
| C24 | C23 | C32 | H17 | 178.9° | 179.7° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 179.5° | 179.9° |
| C30 | C29 | C24 | H14 | 180.0° | 180.0° |
| C30 | C29 | C24 | C25 | 179.7° | 180.0° |
| C29 | C30 | C31 | H16 | 179.6° | 180.0° |
| C04 | C03 | C02 | N36 | 151.6° | 180.0° |
| C04 | C03 | C02 | O01 | 26.2° | 0.1° |
| C03 | C04 | C05 | H7 | 178.9° | 179.9° |
| C04 | C03 | C35 | H19 | 179.6° | 180.0° |
| C03 | C02 | N36 | O01 | 177.9° | 179.9° |
| C03 | C02 | N36 | O37 | 179.2° | 180.0° |
| C02 | C03 | C04 | H6 | 0.5° | 0.1° |
| C02 | C03 | C35 | H19 | 0.9° | 0.4° |
| C03 | C02 | N36 | H20 | 0.9° | 0.0° |
| C29 | C24 | C25 | F28 | 148.8° | 120.0° |
| C29 | C24 | C25 | F27 | 92.6° | 0.0° |
| C29 | C24 | C25 | F26 | 25.8° | 120.0° |
| C24 | C29 | C30 | H15 | 179.5° | 180.0° |
| C24 | C25 | F28 | F27 | 122.8° | 120.0° |
| C24 | C25 | F28 | F26 | 127.5° | 120.0° |
| C24 | C25 | F27 | F26 | 123.8° | 120.0° |
| C25 | C24 | C29 | H14 | 0.3° | 0.0° |
| C02 | N36 | O37 | H20 | 180.0° | 180.0° |
| C02 | N36 | O37 | H21 | 0.6° | 180.0° |
| O37 | N36 | C02 | O01 | 1.3° | 0.0° |
| F28 | C25 | F27 | F26 | 110.0° | 120.0° |
| O01 | C02 | N36 | H20 | 178.8° | 180.0° |
| H3 | C17 | C18 | H12 | 0.4° | 0.3° |
| H4 | C20 | C21 | H5 | 0.2° | 0.0° |
| H4 | C20 | C19 | H13 | 0.2° | 0.6° |
| H6 | C04 | C05 | H7 | 1.1° | 0.0° |
| H12 | C18 | C19 | H13 | 0.2° | 0.3° |
| H14 | C29 | C30 | H15 | 0.5° | 0.0° |
| H15 | C30 | C31 | H16 | 0.5° | 0.1° |
| H16 | C31 | C32 | H17 | 1.3° | 0.6° |
| H18 | C34 | C35 | H19 | 0.3° | 0.3° |
| H20 | N36 | O37 | H21 | 179.5° | 0.0° |
