P5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C19 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | N23 | sing | 1.31Å | 1.32Å | Aromatic |
| C25 | N26 | sing | 1.31Å | 1.33Å | Aromatic |
| C17 | C15 | sing | 1.51Å | 1.50Å | |
| N23 | C22 | doub | 1.34Å | 1.33Å | Aromatic |
| N26 | C27 | doub | 1.34Å | 1.35Å | Aromatic |
| C22 | C27 | sing | 1.42Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.41Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | O16 | doub | 1.21Å | 1.22Å | |
| C15 | N14 | sing | 1.35Å | 1.37Å | |
| C28 | C29 | doub | 1.36Å | 1.35Å | Aromatic |
| C20 | C29 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C7 | sing | 1.48Å | 1.49Å | |
| C13 | N14 | sing | 1.48Å | 1.48Å | |
| C13 | C12 | sing | 1.55Å | 1.55Å | |
| N14 | C10 | sing | 1.46Å | 1.46Å | |
| C7 | C8 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.37Å | 1.37Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.50Å | 1.50Å | |
| C9 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C2 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.55Å | 1.55Å | |
| C4 | N3 | sing | 1.40Å | 1.38Å | |
| N3 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O1 | doub | 1.21Å | 1.20Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H19 | sing | 1.08Å | 1.08Å | |
| C29 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C17 | 59.8° | 60.0° |
| C19 | C18 | C17 | 59.7° | 60.0° |
| C19 | C18 | H9 | 120.0° | 117.5° |
| C19 | C18 | H10 | 120.0° | 117.5° |
| C18 | C19 | H11 | 120.0° | 117.5° |
| C18 | C19 | H12 | 120.0° | 117.5° |
| C19 | C17 | C18 | 60.4° | 60.0° |
| C19 | C17 | C15 | 117.3° | 117.5° |
| C19 | C17 | H8 | 116.5° | 117.5° |
| C17 | C19 | H11 | 120.0° | 117.5° |
| C17 | C19 | H12 | 120.0° | 117.5° |
| C18 | C17 | C15 | 117.1° | 117.5° |
| C18 | C17 | H8 | 116.4° | 117.5° |
| C17 | C18 | H9 | 120.1° | 117.5° |
| C17 | C18 | H10 | 120.0° | 117.5° |
| C25 | C24 | N23 | 121.1° | 120.7° |
| C24 | C25 | N26 | 120.9° | 120.7° |
| C25 | C24 | H14 | 119.5° | 119.6° |
| C24 | C25 | H18 | 119.5° | 119.7° |
| C24 | N23 | C22 | 119.0° | 119.7° |
| N23 | C24 | H14 | 119.4° | 119.6° |
| C25 | N26 | C27 | 118.5° | 119.8° |
| N26 | C25 | H18 | 119.6° | 119.6° |
| C17 | C15 | O16 | 116.8° | 120.0° |
| C17 | C15 | N14 | 120.9° | 120.0° |
| C15 | C17 | H8 | 117.0° | 115.6° |
| N23 | C22 | C27 | 120.2° | 119.6° |
| N23 | C22 | C21 | 119.4° | 121.0° |
| N26 | C27 | C22 | 120.2° | 119.5° |
| N26 | C27 | C28 | 121.2° | 120.9° |
| C27 | C22 | C21 | 120.5° | 119.4° |
| C22 | C27 | C28 | 118.5° | 119.6° |
| C22 | C21 | C20 | 120.0° | 119.5° |
| C22 | C21 | H13 | 120.0° | 120.2° |
| C27 | C28 | C29 | 120.2° | 120.0° |
| C27 | C28 | H19 | 119.9° | 120.0° |
| C21 | C20 | C29 | 118.3° | 120.5° |
| C21 | C20 | C7 | 120.6° | 119.7° |
| C20 | C21 | H13 | 120.0° | 120.2° |
| O16 | C15 | N14 | 122.2° | 120.0° |
| C15 | N14 | C13 | 125.6° | 125.8° |
| C15 | N14 | C10 | 126.4° | 125.8° |
| C28 | C29 | C20 | 122.5° | 120.9° |
| C29 | C28 | H19 | 119.9° | 120.0° |
| C28 | C29 | H20 | 118.8° | 119.5° |
| C29 | C20 | C7 | 121.1° | 119.7° |
| C20 | C29 | H20 | 118.7° | 119.6° |
| C20 | C7 | C8 | 121.1° | 120.2° |
| C20 | C7 | C6 | 120.5° | 120.2° |
| N14 | C13 | C12 | 109.0° | 104.9° |
| C13 | N14 | C10 | 107.9° | 108.4° |
| N14 | C13 | H16 | 109.6° | 110.3° |
| N14 | C13 | H17 | 109.6° | 110.3° |
| C13 | C12 | C11 | 102.7° | 101.7° |
| C13 | C12 | H6 | 111.2° | 111.0° |
| C13 | C12 | H7 | 111.1° | 111.0° |
| C12 | C13 | H16 | 109.6° | 110.4° |
| C12 | C13 | H17 | 109.6° | 110.4° |
| N14 | C10 | C9 | 115.3° | 111.4° |
| N14 | C10 | C2 | 108.1° | 111.1° |
| N14 | C10 | C11 | 107.8° | 108.0° |
| C8 | C7 | C6 | 118.4° | 119.6° |
| C7 | C8 | C9 | 119.7° | 119.9° |
| C7 | C8 | H3 | 120.2° | 120.1° |
| C7 | C6 | C5 | 121.4° | 120.2° |
| C7 | C6 | H2 | 119.3° | 119.9° |
| C8 | C9 | C10 | 131.6° | 133.2° |
| C8 | C9 | C4 | 121.4° | 120.8° |
| C9 | C8 | H3 | 120.1° | 120.1° |
| C6 | C5 | C4 | 119.3° | 120.4° |
| C6 | C5 | H1 | 120.4° | 119.9° |
| C5 | C6 | H2 | 119.3° | 119.9° |
| C10 | C9 | C4 | 107.0° | 106.0° |
| C9 | C10 | C2 | 102.9° | 104.8° |
| C9 | C10 | C11 | 109.1° | 110.8° |
| C9 | C4 | C5 | 119.9° | 119.2° |
| C9 | C4 | N3 | 110.0° | 110.2° |
| C5 | C4 | N3 | 130.1° | 130.7° |
| C4 | C5 | H1 | 120.4° | 119.8° |
| C2 | C10 | C11 | 113.8° | 110.8° |
| C10 | C2 | N3 | 108.5° | 106.8° |
| C10 | C2 | O1 | 126.2° | 126.6° |
| C10 | C11 | C12 | 104.9° | 102.8° |
| C10 | C11 | H4 | 110.6° | 110.7° |
| C10 | C11 | H5 | 110.6° | 110.7° |
| C12 | C11 | H4 | 110.6° | 110.8° |
| C12 | C11 | H5 | 110.6° | 110.9° |
| C11 | C12 | H6 | 111.1° | 111.0° |
| C11 | C12 | H7 | 111.1° | 111.0° |
| C4 | N3 | C2 | 111.6° | 112.2° |
| C4 | N3 | H15 | 124.2° | 123.9° |
| N3 | C2 | O1 | 125.1° | 126.5° |
| C2 | N3 | H15 | 124.2° | 123.9° |
| H4 | C11 | H5 | 109.5° | 110.6° |
| H6 | C12 | H7 | 109.5° | 110.9° |
| H9 | C18 | H10 | 109.5° | 115.6° |
| H11 | C19 | H12 | 109.5° | 115.5° |
| H16 | C13 | H17 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C17 | H11 | 109.4° | 107.5° |
| C18 | C19 | C17 | H12 | 109.4° | 107.5° |
| C19 | C18 | C17 | H9 | 109.4° | 107.5° |
| C19 | C18 | C17 | H10 | 109.4° | 107.5° |
| C18 | C19 | C17 | C15 | 107.2° | 107.5° |
| C18 | C19 | C17 | H8 | 106.8° | 107.4° |
| C19 | C18 | H9 | H10 | 144.9° | 145.7° |
| C18 | C19 | H11 | H12 | 144.8° | 145.7° |
| C19 | C17 | C15 | H8 | 145.7° | 145.8° |
| C19 | C17 | C15 | O16 | 75.4° | 68.7° |
| C19 | C17 | C15 | N14 | 106.8° | 111.2° |
| C17 | C19 | H11 | H12 | 144.9° | 145.7° |
| C18 | C17 | C15 | H8 | 145.3° | 145.6° |
| C18 | C17 | C15 | O16 | 6.4° | 0.0° |
| C18 | C17 | C15 | N14 | 175.8° | 179.9° |
| C17 | C18 | H9 | H10 | 144.9° | 145.7° |
| C25 | C24 | N23 | H14 | 180.0° | 180.0° |
| C24 | C25 | N26 | H18 | 180.0° | 179.8° |
| C25 | C24 | N23 | C22 | 0.2° | 0.1° |
| C24 | C25 | N26 | C27 | 1.8° | 0.5° |
| N23 | C24 | C25 | N26 | 1.6° | 0.3° |
| C24 | N23 | C22 | C27 | 0.9° | 0.1° |
| C24 | N23 | C22 | C21 | 179.9° | 180.0° |
| N23 | C24 | C25 | H18 | 178.4° | 180.0° |
| C25 | N26 | C27 | C22 | 0.7° | 0.5° |
| C25 | N26 | C27 | C28 | 178.7° | 179.8° |
| N26 | C25 | C24 | H14 | 178.4° | 179.7° |
| C17 | C15 | O16 | N14 | 177.8° | 179.9° |
| C17 | C15 | N14 | C13 | 3.4° | 0.1° |
| C17 | C15 | N14 | C10 | 179.9° | 180.0° |
| C15 | C17 | C18 | H9 | 1.8° | 145.0° |
| C15 | C17 | C18 | H10 | 143.0° | 0.1° |
| C15 | C17 | C19 | H11 | 143.4° | 0.1° |
| C15 | C17 | C19 | H12 | 2.2° | 145.1° |
| N23 | C22 | C27 | N26 | 0.7° | 0.2° |
| N23 | C22 | C27 | C21 | 179.1° | 180.0° |
| N23 | C22 | C27 | C28 | 179.9° | 179.5° |
| N23 | C22 | C21 | C20 | 179.6° | 180.0° |
| N23 | C22 | C21 | H13 | 0.4° | 0.3° |
| C22 | N23 | C24 | H14 | 179.8° | 180.0° |
| N26 | C27 | C22 | C28 | 179.4° | 179.3° |
| N26 | C27 | C22 | C21 | 179.8° | 179.8° |
| N26 | C27 | C28 | C29 | 179.3° | 180.0° |
| C27 | N26 | C25 | H18 | 178.2° | 179.7° |
| N26 | C27 | C28 | H19 | 0.7° | 0.8° |
| C27 | C22 | C21 | C20 | 0.5° | 0.0° |
| C22 | C27 | C28 | C29 | 1.3° | 0.8° |
| C27 | C22 | C21 | H13 | 179.5° | 179.7° |
| C22 | C27 | C28 | H19 | 178.7° | 180.0° |
| C21 | C22 | C27 | C28 | 0.9° | 0.5° |
| C22 | C21 | C20 | H13 | 180.0° | 179.7° |
| C22 | C21 | C20 | C29 | 0.6° | 0.3° |
| C22 | C21 | C20 | C7 | 178.3° | 179.8° |
| C27 | C28 | C29 | H19 | 180.0° | 179.2° |
| C27 | C28 | C29 | C20 | 1.5° | 0.5° |
| C27 | C28 | C29 | H20 | 178.5° | 179.5° |
| C21 | C20 | C29 | C28 | 1.1° | 0.0° |
| C21 | C20 | C29 | C7 | 178.9° | 179.9° |
| C21 | C20 | C7 | C8 | 158.3° | 180.0° |
| C21 | C20 | C7 | C6 | 22.7° | 0.3° |
| C21 | C20 | C29 | H20 | 178.9° | 180.0° |
| O16 | C15 | N14 | C13 | 178.9° | 180.0° |
| O16 | C15 | N14 | C10 | 2.4° | 0.0° |
| O16 | C15 | C17 | H8 | 138.9° | 145.5° |
| C15 | N14 | C13 | C10 | 177.0° | 179.9° |
| C15 | N14 | C13 | C12 | 175.2° | 155.9° |
| C15 | N14 | C10 | C9 | 70.5° | 59.4° |
| C15 | N14 | C10 | C2 | 43.9° | 57.0° |
| C15 | N14 | C10 | C11 | 167.3° | 178.7° |
| N14 | C15 | C17 | H8 | 38.9° | 34.5° |
| C15 | N14 | C13 | H16 | 64.8° | 85.2° |
| C15 | N14 | C13 | H17 | 55.3° | 37.0° |
| C28 | C29 | C20 | H20 | 180.0° | 180.0° |
| C28 | C29 | C20 | C7 | 177.8° | 179.9° |
| C29 | C20 | C7 | C8 | 22.8° | 0.1° |
| C29 | C20 | C7 | C6 | 156.2° | 179.8° |
| C29 | C20 | C21 | H13 | 179.4° | 180.0° |
| C20 | C29 | C28 | H19 | 178.5° | 179.7° |
| C20 | C7 | C8 | C6 | 179.0° | 179.8° |
| C20 | C7 | C8 | C9 | 179.3° | 179.9° |
| C20 | C7 | C6 | C5 | 179.8° | 179.7° |
| C20 | C7 | C6 | H2 | 0.2° | 0.2° |
| C20 | C7 | C8 | H3 | 0.7° | 0.2° |
| C7 | C20 | C21 | H13 | 1.7° | 0.1° |
| C7 | C20 | C29 | H20 | 2.2° | 0.0° |
| N14 | C13 | C12 | H16 | 120.0° | 118.8° |
| N14 | C13 | C12 | H17 | 119.9° | 118.8° |
| C13 | N14 | C10 | C9 | 106.5° | 120.6° |
| C13 | N14 | C10 | C2 | 139.1° | 122.9° |
| C13 | N14 | C10 | C11 | 15.7° | 1.3° |
| N14 | C13 | C12 | C11 | 18.0° | 36.6° |
| N14 | C13 | C12 | H6 | 136.9° | 154.7° |
| N14 | C13 | C12 | H7 | 100.9° | 81.4° |
| N14 | C13 | H16 | H17 | 120.2° | 122.2° |
| C12 | C13 | N14 | C10 | 1.8° | 24.0° |
| C13 | C12 | C11 | C10 | 26.6° | 34.9° |
| C13 | C12 | C11 | H6 | 118.9° | 118.1° |
| C13 | C12 | C11 | H7 | 118.9° | 118.1° |
| C13 | C12 | C11 | H4 | 145.8° | 153.3° |
| C13 | C12 | C11 | H5 | 92.7° | 83.4° |
| C13 | C12 | H6 | H7 | 123.1° | 123.9° |
| C12 | C13 | H16 | H17 | 120.2° | 122.3° |
| N14 | C10 | C9 | C8 | 66.3° | 59.2° |
| N14 | C10 | C9 | C2 | 117.5° | 120.3° |
| N14 | C10 | C9 | C11 | 121.4° | 120.2° |
| N14 | C10 | C9 | C4 | 115.0° | 120.5° |
| N14 | C10 | C2 | C11 | 119.7° | 120.0° |
| N14 | C10 | C11 | C12 | 27.0° | 21.8° |
| N14 | C10 | C2 | N3 | 118.9° | 120.8° |
| N14 | C10 | C2 | O1 | 56.4° | 59.4° |
| N14 | C10 | C11 | H4 | 146.2° | 140.1° |
| N14 | C10 | C11 | H5 | 92.3° | 96.7° |
| C10 | N14 | C13 | H16 | 118.1° | 94.8° |
| C10 | N14 | C13 | H17 | 121.7° | 142.9° |
| C7 | C8 | C9 | H3 | 180.0° | 179.8° |
| C8 | C7 | C6 | C5 | 1.1° | 0.0° |
| C7 | C8 | C9 | C10 | 179.6° | 179.9° |
| C7 | C8 | C9 | C4 | 1.1° | 0.4° |
| C8 | C7 | C6 | H2 | 178.9° | 180.0° |
| C6 | C7 | C8 | C9 | 1.6° | 0.2° |
| C7 | C6 | C5 | H2 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | C7 | C8 | H3 | 178.3° | 180.0° |
| C8 | C9 | C10 | C4 | 178.6° | 179.7° |
| C8 | C9 | C4 | C5 | 0.0° | 0.5° |
| C8 | C9 | C10 | C2 | 176.2° | 179.5° |
| C8 | C9 | C10 | C11 | 55.1° | 61.0° |
| C8 | C9 | C4 | N3 | 178.2° | 179.7° |
| C6 | C5 | C4 | C9 | 0.5° | 0.3° |
| C6 | C5 | C4 | H1 | 180.0° | 180.0° |
| C6 | C5 | C4 | N3 | 178.3° | 180.0° |
| C10 | C9 | C4 | C5 | 178.8° | 179.8° |
| C9 | C10 | C2 | C11 | 117.8° | 119.5° |
| C9 | C10 | C11 | C12 | 98.9° | 144.0° |
| C10 | C9 | C4 | N3 | 0.6° | 0.1° |
| C9 | C10 | C2 | N3 | 3.5° | 0.4° |
| C9 | C10 | C2 | O1 | 178.9° | 179.8° |
| C10 | C9 | C8 | H3 | 0.4° | 0.0° |
| C9 | C10 | C11 | H4 | 20.3° | 97.6° |
| C9 | C10 | C11 | H5 | 141.8° | 25.5° |
| C9 | C4 | C5 | N3 | 177.8° | 179.8° |
| C4 | C9 | C10 | C2 | 2.4° | 0.2° |
| C4 | C9 | C10 | C11 | 123.5° | 119.2° |
| C9 | C4 | N3 | C2 | 1.8° | 0.2° |
| C9 | C4 | C5 | H1 | 179.5° | 179.8° |
| C4 | C9 | C8 | H3 | 178.9° | 179.7° |
| C9 | C4 | N3 | H15 | 178.2° | 179.9° |
| C5 | C4 | N3 | C2 | 176.2° | 180.0° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | N3 | H15 | 3.8° | 0.1° |
| C2 | C10 | C11 | C12 | 146.9° | 100.2° |
| C10 | C2 | N3 | C4 | 3.4° | 0.3° |
| C10 | C2 | N3 | O1 | 175.4° | 179.8° |
| C2 | C10 | C11 | H4 | 93.9° | 18.2° |
| C2 | C10 | C11 | H5 | 27.6° | 141.3° |
| C10 | C2 | N3 | H15 | 176.6° | 179.7° |
| C10 | C11 | C12 | H4 | 119.2° | 118.3° |
| C10 | C11 | C12 | H5 | 119.3° | 118.4° |
| C11 | C10 | C2 | N3 | 121.4° | 119.1° |
| C11 | C10 | C2 | O1 | 63.3° | 60.7° |
| C10 | C11 | H4 | H5 | 122.2° | 123.2° |
| C10 | C11 | C12 | H6 | 145.5° | 153.0° |
| C10 | C11 | C12 | H7 | 92.3° | 83.2° |
| C12 | C11 | H4 | H5 | 122.1° | 123.5° |
| C11 | C12 | H6 | H7 | 123.1° | 123.8° |
| C11 | C12 | C13 | H16 | 102.0° | 82.2° |
| C11 | C12 | C13 | H17 | 137.9° | 155.5° |
| C4 | N3 | C2 | H15 | 180.0° | 179.9° |
| C4 | N3 | C2 | O1 | 178.9° | 179.9° |
| N3 | C4 | C5 | H1 | 1.6° | 0.0° |
| O1 | C2 | N3 | H15 | 1.2° | 0.1° |
| H1 | C5 | C6 | H2 | 0.0° | 0.0° |
| H4 | C11 | C12 | H6 | 95.3° | 88.6° |
| H4 | C11 | C12 | H7 | 26.9° | 35.1° |
| H5 | C11 | C12 | H6 | 26.2° | 34.7° |
| H5 | C11 | C12 | H7 | 148.4° | 158.4° |
| H6 | C12 | C13 | H16 | 16.9° | 35.9° |
| H6 | C12 | C13 | H17 | 103.2° | 86.4° |
| H7 | C12 | C13 | H16 | 139.1° | 159.7° |
| H7 | C12 | C13 | H17 | 19.0° | 37.4° |
| H8 | C17 | C18 | H9 | 143.7° | 0.1° |
| H8 | C17 | C18 | H10 | 2.5° | 145.0° |
| H8 | C17 | C19 | H11 | 2.6° | 145.0° |
| H8 | C17 | C19 | H12 | 143.8° | 0.0° |
| H9 | C18 | C19 | H11 | 141.2° | 145.0° |
| H9 | C18 | C19 | H12 | 0.0° | 0.0° |
| H10 | C18 | C19 | H11 | 0.0° | 0.0° |
| H10 | C18 | C19 | H12 | 141.2° | 145.0° |
| H14 | C24 | C25 | H18 | 1.6° | 0.0° |
| H19 | C28 | C29 | H20 | 1.4° | 0.3° |
