5A7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P2 | doub | 1.48Å | 1.59Å | |
| O4 | P2 | sing | 1.61Å | 1.48Å | |
| P2 | O3 | sing | 1.61Å | 1.61Å | |
| P2 | C27 | sing | 1.81Å | 1.80Å | |
| C27 | C26 | doub | 1.33Å | 1.33Å | |
| C26 | C23 | sing | 1.48Å | 1.51Å | |
| C23 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| C23 | N24 | sing | 1.32Å | 1.36Å | Aromatic |
| C6 | C7 | doub | 1.36Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C10 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | C21 | sing | 1.36Å | 1.40Å | Aromatic |
| N24 | C19 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.42Å | 1.43Å | Aromatic |
| C11 | C12 | sing | 1.36Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.42Å | 1.42Å | Aromatic |
| C8 | C15 | sing | 1.48Å | 1.50Å | |
| C21 | C20 | doub | 1.41Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.42Å | 1.42Å | Aromatic |
| C19 | C15 | sing | 1.42Å | 1.41Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.36Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | N25 | sing | 1.40Å | 1.44Å | |
| N25 | C28 | sing | 1.35Å | 1.35Å | |
| O30 | C28 | doub | 1.21Å | 1.22Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.08Å | 1.08Å | |
| C29 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| O4 | H15 | sing | 0.97Å | 0.95Å | |
| C5 | H16 | sing | 1.08Å | 1.08Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| N25 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P2 | O4 | 115.4° | 109.5° |
| O1 | P2 | O3 | 103.5° | 109.5° |
| O1 | P2 | C27 | 103.5° | 109.4° |
| O4 | P2 | O3 | 117.2° | 109.5° |
| O4 | P2 | C27 | 111.6° | 109.4° |
| P2 | O4 | H15 | 109.5° | 114.0° |
| O3 | P2 | C27 | 104.3° | 109.5° |
| P2 | O3 | H1 | 109.5° | 114.0° |
| P2 | C27 | C26 | 116.7° | 120.0° |
| P2 | C27 | H11 | 121.6° | 120.0° |
| C27 | C26 | C23 | 123.3° | 120.0° |
| C27 | C26 | H10 | 118.4° | 120.0° |
| C26 | C27 | H11 | 121.7° | 120.0° |
| C26 | C23 | C22 | 122.9° | 119.2° |
| C26 | C23 | N24 | 117.2° | 119.3° |
| C23 | C26 | H10 | 118.4° | 120.0° |
| C22 | C23 | N24 | 119.9° | 121.4° |
| C23 | C22 | C21 | 119.7° | 119.8° |
| C23 | C22 | H9 | 120.2° | 120.2° |
| C23 | N24 | C19 | 121.9° | 121.3° |
| C7 | C6 | C5 | 119.7° | 121.2° |
| C6 | C7 | C10 | 120.6° | 120.1° |
| C7 | C6 | H17 | 120.1° | 119.4° |
| C6 | C7 | H18 | 119.7° | 119.9° |
| C6 | C5 | C8 | 120.9° | 120.6° |
| C6 | C5 | H16 | 119.6° | 119.7° |
| C5 | C6 | H17 | 120.2° | 119.3° |
| C7 | C10 | C11 | 119.4° | 121.2° |
| C7 | C10 | C9 | 120.3° | 119.5° |
| C10 | C7 | H18 | 119.7° | 119.9° |
| C22 | C21 | C20 | 119.3° | 118.3° |
| C22 | C21 | H8 | 120.3° | 120.9° |
| C21 | C22 | H9 | 120.1° | 120.1° |
| N24 | C19 | C20 | 120.1° | 120.0° |
| N24 | C19 | C15 | 119.6° | 120.8° |
| C5 | C8 | C9 | 119.8° | 119.3° |
| C5 | C8 | C15 | 115.9° | 120.4° |
| C8 | C5 | H16 | 119.6° | 119.7° |
| C11 | C10 | C9 | 120.4° | 119.2° |
| C10 | C11 | C12 | 120.3° | 119.7° |
| C10 | C11 | H2 | 119.8° | 120.1° |
| C10 | C9 | C8 | 118.8° | 119.2° |
| C10 | C9 | C14 | 118.1° | 119.5° |
| C11 | C12 | C13 | 120.1° | 121.0° |
| C12 | C11 | H2 | 119.8° | 120.2° |
| C11 | C12 | H3 | 120.0° | 119.5° |
| C9 | C8 | C15 | 124.3° | 120.3° |
| C8 | C9 | C14 | 123.1° | 121.3° |
| C8 | C15 | C19 | 121.5° | 120.2° |
| C8 | C15 | C16 | 120.0° | 120.2° |
| C21 | C20 | C19 | 119.0° | 119.2° |
| C21 | C20 | C18 | 121.0° | 121.0° |
| C20 | C21 | H8 | 120.4° | 120.8° |
| C20 | C19 | C15 | 120.3° | 119.2° |
| C19 | C20 | C18 | 119.9° | 119.8° |
| C19 | C15 | C16 | 118.4° | 119.6° |
| C9 | C14 | C13 | 121.3° | 119.7° |
| C9 | C14 | H5 | 119.4° | 120.2° |
| C12 | C13 | C14 | 119.7° | 120.9° |
| C13 | C12 | H3 | 119.9° | 119.5° |
| C12 | C13 | H4 | 120.1° | 119.6° |
| C20 | C18 | C17 | 120.7° | 120.0° |
| C20 | C18 | H7 | 119.6° | 120.0° |
| C15 | C16 | C17 | 122.2° | 120.7° |
| C15 | C16 | H6 | 118.9° | 119.7° |
| C14 | C13 | H4 | 120.1° | 119.5° |
| C13 | C14 | H5 | 119.3° | 120.2° |
| C18 | C17 | C16 | 118.4° | 120.7° |
| C18 | C17 | N25 | 122.8° | 119.7° |
| C17 | C18 | H7 | 119.7° | 120.0° |
| C16 | C17 | N25 | 118.7° | 119.6° |
| C17 | C16 | H6 | 118.9° | 119.6° |
| C17 | N25 | C28 | 129.2° | 120.0° |
| C17 | N25 | H19 | 115.4° | 120.0° |
| N25 | C28 | O30 | 124.1° | 120.0° |
| N25 | C28 | C29 | 117.4° | 120.0° |
| C28 | N25 | H19 | 115.4° | 120.0° |
| O30 | C28 | C29 | 118.4° | 120.0° |
| C28 | C29 | H12 | 109.5° | 109.5° |
| C28 | C29 | H13 | 109.5° | 109.5° |
| C28 | C29 | H14 | 109.5° | 109.5° |
| H12 | C29 | H13 | 109.4° | 109.4° |
| H12 | C29 | H14 | 109.5° | 109.5° |
| H13 | C29 | H14 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P2 | O4 | O3 | 122.2° | 120.0° |
| O1 | P2 | O4 | C27 | 117.7° | 119.9° |
| O1 | P2 | O3 | C27 | 108.0° | 120.0° |
| O1 | P2 | C27 | C26 | 170.2° | 0.1° |
| O1 | P2 | O3 | H1 | 0.0° | 60.1° |
| O1 | P2 | C27 | H11 | 9.8° | 180.0° |
| O1 | P2 | O4 | H15 | 0.0° | 180.0° |
| O4 | P2 | O3 | C27 | 123.8° | 120.0° |
| O4 | P2 | C27 | C26 | 65.1° | 120.0° |
| O4 | P2 | O3 | H1 | 128.2° | 60.0° |
| O4 | P2 | C27 | H11 | 114.9° | 60.1° |
| O3 | P2 | C27 | C26 | 62.3° | 119.9° |
| O3 | P2 | C27 | H11 | 117.7° | 60.0° |
| O3 | P2 | O4 | H15 | 122.3° | 60.0° |
| P2 | C27 | C26 | H11 | 180.0° | 179.9° |
| P2 | C27 | C26 | C23 | 178.6° | 179.9° |
| C27 | P2 | O3 | H1 | 108.0° | 180.0° |
| P2 | C27 | C26 | H10 | 1.4° | 0.1° |
| C27 | P2 | O4 | H15 | 117.7° | 60.1° |
| C27 | C26 | C23 | H10 | 180.0° | 180.0° |
| C27 | C26 | C23 | C22 | 51.8° | 180.0° |
| C27 | C26 | C23 | N24 | 129.7° | 0.0° |
| C26 | C23 | C22 | N24 | 178.4° | 180.0° |
| C26 | C23 | C22 | C21 | 176.9° | 180.0° |
| C26 | C23 | N24 | C19 | 177.3° | 180.0° |
| C26 | C23 | C22 | H9 | 3.1° | 0.0° |
| C23 | C26 | C27 | H11 | 1.4° | 0.0° |
| C23 | C22 | C21 | H9 | 180.0° | 179.9° |
| C22 | C23 | N24 | C19 | 1.1° | 0.0° |
| C23 | C22 | C21 | C20 | 1.9° | 0.0° |
| C23 | C22 | C21 | H8 | 178.1° | 179.9° |
| C22 | C23 | C26 | H10 | 128.2° | 0.0° |
| N24 | C23 | C22 | C21 | 1.5° | 0.0° |
| C23 | N24 | C19 | C20 | 1.3° | 0.0° |
| C23 | N24 | C19 | C15 | 178.1° | 180.0° |
| N24 | C23 | C22 | H9 | 178.5° | 179.9° |
| N24 | C23 | C26 | H10 | 50.2° | 180.0° |
| C7 | C6 | C5 | H17 | 180.0° | 179.2° |
| C6 | C7 | C10 | H18 | 180.0° | 179.9° |
| C7 | C6 | C5 | C8 | 0.2° | 0.8° |
| C6 | C7 | C10 | C11 | 179.3° | 180.0° |
| C6 | C7 | C10 | C9 | 0.1° | 0.5° |
| C7 | C6 | C5 | H16 | 179.8° | 179.7° |
| C5 | C6 | C7 | C10 | 0.1° | 0.8° |
| C6 | C5 | C8 | H16 | 180.0° | 179.4° |
| C6 | C5 | C8 | C9 | 0.5° | 0.5° |
| C6 | C5 | C8 | C15 | 179.1° | 180.0° |
| C5 | C6 | C7 | H18 | 179.9° | 179.1° |
| C7 | C10 | C11 | C9 | 179.4° | 179.4° |
| C7 | C10 | C11 | C12 | 178.9° | 180.0° |
| C7 | C10 | C9 | C8 | 0.3° | 0.2° |
| C7 | C10 | C9 | C14 | 179.4° | 180.0° |
| C7 | C10 | C11 | H2 | 1.1° | 0.3° |
| C10 | C7 | C6 | H17 | 179.9° | 180.0° |
| C22 | C21 | C20 | H8 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 2.0° | 0.1° |
| C22 | C21 | C20 | C18 | 179.5° | 179.9° |
| N24 | C19 | C15 | C8 | 1.8° | 0.2° |
| N24 | C19 | C20 | C21 | 1.7° | 0.0° |
| N24 | C19 | C20 | C15 | 179.3° | 180.0° |
| N24 | C19 | C20 | C18 | 179.8° | 179.9° |
| N24 | C19 | C15 | C16 | 178.8° | 180.0° |
| C5 | C8 | C9 | C10 | 0.5° | 0.3° |
| C5 | C8 | C9 | C15 | 179.6° | 179.5° |
| C5 | C8 | C15 | C19 | 110.7° | 115.2° |
| C5 | C8 | C9 | C14 | 179.6° | 180.0° |
| C5 | C8 | C15 | C16 | 66.3° | 65.0° |
| C8 | C5 | C6 | H17 | 179.9° | 180.0° |
| C10 | C11 | C12 | H2 | 180.0° | 179.7° |
| C11 | C10 | C9 | C8 | 179.7° | 179.7° |
| C11 | C10 | C9 | C14 | 1.2° | 0.6° |
| C10 | C11 | C12 | C13 | 1.9° | 0.3° |
| C10 | C11 | C12 | H3 | 178.1° | 179.7° |
| C11 | C10 | C7 | H18 | 0.6° | 0.0° |
| C9 | C10 | C11 | C12 | 1.6° | 0.6° |
| C10 | C9 | C8 | C14 | 179.1° | 179.7° |
| C10 | C9 | C8 | C15 | 179.0° | 179.7° |
| C10 | C9 | C14 | C13 | 1.1° | 0.3° |
| C9 | C10 | C11 | H2 | 178.4° | 179.7° |
| C10 | C9 | C14 | H5 | 178.9° | 179.8° |
| C9 | C10 | C7 | H18 | 179.9° | 179.4° |
| C11 | C12 | C13 | H3 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.8° | 0.1° |
| C11 | C12 | C13 | H4 | 178.2° | 180.0° |
| C9 | C8 | C15 | C19 | 69.8° | 65.3° |
| C9 | C8 | C15 | C16 | 113.3° | 114.5° |
| C8 | C9 | C14 | C13 | 179.8° | 179.9° |
| C8 | C9 | C14 | H5 | 0.2° | 0.0° |
| C9 | C8 | C5 | H16 | 179.5° | 180.0° |
| C8 | C15 | C19 | C20 | 178.9° | 179.8° |
| C8 | C15 | C19 | C16 | 177.0° | 179.8° |
| C15 | C8 | C9 | C14 | 0.1° | 0.5° |
| C8 | C15 | C16 | C17 | 177.9° | 179.8° |
| C8 | C15 | C16 | H6 | 2.0° | 0.2° |
| C15 | C8 | C5 | H16 | 0.9° | 0.5° |
| C21 | C20 | C19 | C18 | 178.5° | 179.9° |
| C21 | C20 | C19 | C15 | 177.6° | 180.0° |
| C21 | C20 | C18 | C17 | 179.7° | 180.0° |
| C21 | C20 | C18 | H7 | 0.3° | 0.2° |
| C20 | C21 | C22 | H9 | 178.1° | 179.9° |
| C20 | C19 | C15 | C16 | 1.9° | 0.0° |
| C19 | C20 | C18 | C17 | 1.2° | 0.1° |
| C19 | C20 | C18 | H7 | 178.8° | 180.0° |
| C19 | C20 | C21 | H8 | 178.0° | 180.0° |
| C15 | C19 | C20 | C18 | 0.9° | 0.1° |
| C19 | C15 | C16 | C17 | 0.9° | 0.0° |
| C19 | C15 | C16 | H6 | 179.1° | 180.0° |
| C9 | C14 | C13 | C12 | 1.4° | 0.1° |
| C9 | C14 | C13 | H5 | 180.0° | 179.9° |
| C9 | C14 | C13 | H4 | 178.6° | 180.0° |
| C12 | C13 | C14 | H4 | 180.0° | 179.9° |
| C13 | C12 | C11 | H2 | 178.1° | 180.0° |
| C12 | C13 | C14 | H5 | 178.6° | 180.0° |
| C20 | C18 | C17 | H7 | 180.0° | 179.8° |
| C20 | C18 | C17 | C16 | 2.1° | 0.1° |
| C20 | C18 | C17 | N25 | 178.7° | 180.0° |
| C18 | C20 | C21 | H8 | 0.5° | 0.2° |
| C15 | C16 | C17 | C18 | 1.1° | 0.0° |
| C15 | C16 | C17 | H6 | 180.0° | 180.0° |
| C15 | C16 | C17 | N25 | 177.8° | 180.0° |
| C14 | C13 | C12 | H3 | 178.2° | 179.9° |
| C18 | C17 | C16 | N25 | 176.7° | 179.9° |
| C18 | C17 | N25 | C28 | 17.4° | 146.2° |
| C18 | C17 | C16 | H6 | 178.9° | 179.9° |
| C18 | C17 | N25 | H19 | 162.5° | 33.8° |
| C16 | C17 | N25 | C28 | 166.0° | 33.7° |
| C16 | C17 | C18 | H7 | 177.9° | 179.9° |
| C16 | C17 | N25 | H19 | 14.0° | 146.3° |
| C17 | N25 | C28 | H19 | 180.0° | 180.0° |
| C17 | N25 | C28 | O30 | 0.1° | 5.3° |
| C17 | N25 | C28 | C29 | 179.7° | 174.7° |
| N25 | C17 | C16 | H6 | 2.2° | 0.0° |
| N25 | C17 | C18 | H7 | 1.3° | 0.1° |
| N25 | C28 | O30 | C29 | 179.8° | 180.0° |
| N25 | C28 | C29 | H12 | 179.9° | 0.0° |
| N25 | C28 | C29 | H13 | 60.2° | 120.0° |
| N25 | C28 | C29 | H14 | 59.8° | 120.0° |
| O30 | C28 | C29 | H12 | 0.0° | 180.0° |
| O30 | C28 | C29 | H13 | 120.0° | 60.0° |
| O30 | C28 | C29 | H14 | 120.0° | 59.9° |
| O30 | C28 | N25 | H19 | 179.8° | 174.7° |
| C28 | C29 | H12 | H13 | 120.0° | 120.0° |
| C28 | C29 | H12 | H14 | 120.0° | 120.1° |
| C28 | C29 | H13 | H14 | 120.0° | 120.0° |
| C29 | C28 | N25 | H19 | 0.3° | 5.3° |
| H2 | C11 | C12 | H3 | 1.9° | 0.0° |
| H3 | C12 | C13 | H4 | 1.8° | 0.0° |
| H4 | C13 | C14 | H5 | 1.4° | 0.1° |
| H8 | C21 | C22 | H9 | 1.9° | 0.0° |
| H10 | C26 | C27 | H11 | 178.6° | 180.0° |
| H12 | C29 | H13 | H14 | 120.0° | 120.0° |
| H16 | C5 | C6 | H17 | 0.1° | 0.6° |
| H17 | C6 | C7 | H18 | 0.1° | 0.1° |
