7P2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | doub | 1.39Å | 1.38Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C05 | C01 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C09 | C01 | sing | 1.40Å | 1.40Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.42Å | |
| O28 | C14 | sing | 1.36Å | 1.41Å | |
| O28 | C20 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.47Å | 1.51Å | |
| C11 | N10 | sing | 1.39Å | 1.42Å | |
| C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.40Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C02 | O04 | doub | 1.22Å | 1.26Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C17 | O18 | doub | 1.22Å | 1.26Å | |
| C17 | O19 | sing | 1.35Å | 1.26Å | |
| C23 | P24 | sing | 1.82Å | 1.82Å | |
| O25 | P24 | doub | 1.48Å | 1.48Å | |
| O27 | P24 | sing | 1.61Å | 1.58Å | |
| P24 | O26 | sing | 1.61Å | 1.48Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| C05 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C07 | H4 | sing | 1.08Å | 1.08Å | |
| C08 | H5 | sing | 1.08Å | 1.08Å | |
| N10 | H6 | sing | 0.97Å | 1.00Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C13 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| O19 | H10 | sing | 0.97Å | 0.95Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C21 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| O26 | H19 | sing | 0.97Å | 0.95Å | |
| O27 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 119.6° | 120.5° |
| C07 | C06 | C05 | 120.3° | 120.4° |
| C07 | C06 | H3 | 119.8° | 119.8° |
| C06 | C07 | H4 | 120.2° | 119.8° |
| C07 | C08 | C09 | 120.5° | 120.0° |
| C08 | C07 | H4 | 120.2° | 119.8° |
| C07 | C08 | H5 | 119.8° | 120.0° |
| C06 | C05 | C01 | 120.2° | 119.9° |
| C06 | C05 | H2 | 119.9° | 120.1° |
| C05 | C06 | H3 | 119.8° | 119.8° |
| C08 | C09 | C01 | 119.8° | 119.6° |
| C08 | C09 | N10 | 120.6° | 120.2° |
| C09 | C08 | H5 | 119.8° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.4° |
| C13 | C12 | C11 | 119.8° | 120.2° |
| C13 | C12 | H7 | 120.1° | 119.9° |
| C12 | C13 | H8 | 119.8° | 119.8° |
| C13 | C14 | O28 | 120.6° | 119.8° |
| C13 | C14 | C15 | 119.3° | 120.3° |
| C14 | C13 | H8 | 119.7° | 119.8° |
| C05 | C01 | C09 | 119.6° | 119.6° |
| C05 | C01 | C02 | 118.0° | 120.2° |
| C01 | C05 | H2 | 119.9° | 120.0° |
| C12 | C11 | N10 | 123.9° | 120.2° |
| C12 | C11 | C16 | 118.7° | 119.7° |
| C11 | C12 | H7 | 120.1° | 119.9° |
| C01 | C09 | N10 | 119.6° | 120.2° |
| C09 | C01 | C02 | 122.4° | 120.2° |
| C09 | N10 | C11 | 125.9° | 120.0° |
| C09 | N10 | H6 | 117.1° | 120.0° |
| C14 | O28 | C20 | 117.6° | 117.1° |
| O28 | C14 | C15 | 120.2° | 119.9° |
| O28 | C20 | C21 | 108.9° | 109.5° |
| O28 | C20 | H11 | 109.6° | 109.4° |
| O28 | C20 | H12 | 109.6° | 109.5° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C14 | C15 | H9 | 119.9° | 120.1° |
| C01 | C02 | O04 | 119.9° | 120.0° |
| C01 | C02 | O03 | 120.8° | 120.0° |
| N10 | C11 | C16 | 117.4° | 120.1° |
| C11 | N10 | H6 | 117.0° | 120.0° |
| C11 | C16 | C15 | 121.5° | 119.6° |
| C11 | C16 | C17 | 122.2° | 120.2° |
| C20 | C21 | C22 | 109.9° | 109.5° |
| C21 | C20 | H11 | 109.6° | 109.5° |
| C21 | C20 | H12 | 109.6° | 109.5° |
| C20 | C21 | H13 | 109.4° | 109.5° |
| C20 | C21 | H14 | 109.4° | 109.4° |
| C21 | C22 | C23 | 110.7° | 109.5° |
| C22 | C21 | H13 | 109.4° | 109.5° |
| C22 | C21 | H14 | 109.4° | 109.5° |
| C21 | C22 | H15 | 109.2° | 109.5° |
| C21 | C22 | H16 | 109.2° | 109.5° |
| C15 | C16 | C17 | 116.3° | 120.2° |
| C16 | C15 | H9 | 119.9° | 120.0° |
| C16 | C17 | O18 | 121.0° | 120.0° |
| C16 | C17 | O19 | 118.0° | 120.0° |
| C22 | C23 | P24 | 108.5° | 109.5° |
| C23 | C22 | H15 | 109.2° | 109.5° |
| C23 | C22 | H16 | 109.2° | 109.5° |
| C22 | C23 | H17 | 109.7° | 109.5° |
| C22 | C23 | H18 | 109.7° | 109.5° |
| O04 | C02 | O03 | 119.3° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.1° |
| O18 | C17 | O19 | 121.0° | 120.0° |
| C17 | O19 | H10 | 109.5° | 117.1° |
| C23 | P24 | O25 | 114.0° | 109.5° |
| C23 | P24 | O27 | 109.6° | 109.5° |
| C23 | P24 | O26 | 107.5° | 109.5° |
| P24 | C23 | H17 | 109.7° | 109.5° |
| P24 | C23 | H18 | 109.7° | 109.5° |
| O25 | P24 | O27 | 111.2° | 109.5° |
| O25 | P24 | O26 | 101.6° | 109.4° |
| O27 | P24 | O26 | 112.8° | 109.5° |
| P24 | O27 | H20 | 109.5° | 114.0° |
| P24 | O26 | H19 | 109.5° | 114.0° |
| H11 | C20 | H12 | 109.5° | 109.4° |
| H13 | C21 | H14 | 109.5° | 109.4° |
| H15 | C22 | H16 | 109.5° | 109.4° |
| H17 | C23 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H4 | 180.0° | 180.0° |
| C07 | C06 | C05 | H3 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 1.1° | 0.3° |
| C07 | C06 | C05 | C01 | 0.4° | 0.0° |
| C07 | C06 | C05 | H2 | 179.6° | 180.0° |
| C06 | C07 | C08 | H5 | 178.9° | 180.0° |
| C08 | C07 | C06 | C05 | 0.8° | 0.0° |
| C07 | C08 | C09 | H5 | 180.0° | 179.8° |
| C07 | C08 | C09 | C01 | 1.0° | 0.5° |
| C07 | C08 | C09 | N10 | 179.3° | 180.0° |
| C08 | C07 | C06 | H3 | 179.2° | 180.0° |
| C06 | C05 | C01 | H2 | 180.0° | 179.9° |
| C06 | C05 | C01 | C09 | 0.3° | 0.3° |
| C06 | C05 | C01 | C02 | 179.6° | 180.0° |
| C05 | C06 | C07 | H4 | 179.2° | 180.0° |
| C08 | C09 | C01 | C05 | 0.6° | 0.5° |
| C08 | C09 | C01 | N10 | 178.3° | 179.5° |
| C08 | C09 | C01 | C02 | 179.3° | 179.8° |
| C08 | C09 | N10 | C11 | 34.4° | 25.5° |
| C09 | C08 | C07 | H4 | 178.9° | 179.8° |
| C08 | C09 | N10 | H6 | 145.6° | 154.4° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | O28 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C13 | C12 | C11 | N10 | 178.9° | 180.0° |
| C13 | C12 | C11 | C16 | 0.8° | 0.4° |
| C14 | C13 | C12 | C11 | 0.6° | 0.0° |
| C13 | C14 | O28 | C15 | 179.8° | 180.0° |
| C13 | C14 | O28 | C20 | 170.6° | 0.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.4° |
| C14 | C13 | C12 | H7 | 179.4° | 180.0° |
| C13 | C14 | C15 | H9 | 179.6° | 180.0° |
| C05 | C01 | C09 | C02 | 180.0° | 179.7° |
| C05 | C01 | C09 | N10 | 179.0° | 180.0° |
| C05 | C01 | C02 | O04 | 34.8° | 174.0° |
| C05 | C01 | C02 | O03 | 144.3° | 6.0° |
| C01 | C05 | C06 | H3 | 179.6° | 180.0° |
| C12 | C11 | N10 | C09 | 22.4° | 25.5° |
| C12 | C11 | N10 | C16 | 178.1° | 179.7° |
| C12 | C11 | C16 | C15 | 0.9° | 0.7° |
| C12 | C11 | C16 | C17 | 179.5° | 179.7° |
| C12 | C11 | N10 | H6 | 157.6° | 154.5° |
| C11 | C12 | C13 | H8 | 179.4° | 180.0° |
| C01 | C09 | N10 | C11 | 147.3° | 154.0° |
| C09 | C01 | C02 | O04 | 145.3° | 6.3° |
| C09 | C01 | C02 | O03 | 35.6° | 173.7° |
| C09 | C01 | C05 | H2 | 179.7° | 179.8° |
| C01 | C09 | C08 | H5 | 179.0° | 179.7° |
| C01 | C09 | N10 | H6 | 32.7° | 26.0° |
| N10 | C09 | C01 | C02 | 1.0° | 0.3° |
| C09 | N10 | C11 | H6 | 180.0° | 180.0° |
| C09 | N10 | C11 | C16 | 159.5° | 154.2° |
| N10 | C09 | C08 | H5 | 0.7° | 0.2° |
| C14 | O28 | C20 | C21 | 163.6° | 180.0° |
| O28 | C14 | C15 | C16 | 179.8° | 179.7° |
| O28 | C14 | C13 | H8 | 0.2° | 0.0° |
| O28 | C14 | C15 | H9 | 0.2° | 0.0° |
| C14 | O28 | C20 | H11 | 76.5° | 59.9° |
| C14 | O28 | C20 | H12 | 43.6° | 59.9° |
| C20 | O28 | C14 | C15 | 9.7° | 179.9° |
| O28 | C20 | C21 | H11 | 119.9° | 120.0° |
| O28 | C20 | C21 | H12 | 120.0° | 120.1° |
| O28 | C20 | C21 | C22 | 159.1° | 180.0° |
| O28 | C20 | H11 | H12 | 120.3° | 119.9° |
| O28 | C20 | C21 | H13 | 80.9° | 59.9° |
| O28 | C20 | C21 | H14 | 39.0° | 60.0° |
| C14 | C15 | C16 | C11 | 0.7° | 0.7° |
| C14 | C15 | C16 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 179.7° | 179.7° |
| C15 | C14 | C13 | H8 | 179.6° | 180.0° |
| C01 | C02 | O04 | O03 | 179.1° | 179.9° |
| C01 | C02 | O03 | H1 | 179.1° | 180.0° |
| C02 | C01 | C05 | H2 | 0.4° | 0.1° |
| N10 | C11 | C16 | C15 | 179.1° | 179.6° |
| N10 | C11 | C16 | C17 | 1.3° | 0.0° |
| N10 | C11 | C12 | H7 | 1.1° | 0.0° |
| C11 | C16 | C15 | C17 | 179.7° | 179.6° |
| C11 | C16 | C17 | O18 | 5.3° | 6.1° |
| C11 | C16 | C17 | O19 | 173.7° | 173.9° |
| C16 | C11 | N10 | H6 | 20.5° | 25.8° |
| C16 | C11 | C12 | H7 | 179.1° | 179.7° |
| C11 | C16 | C15 | H9 | 179.4° | 179.6° |
| C20 | C21 | C22 | H13 | 120.1° | 120.1° |
| C20 | C21 | C22 | H14 | 120.1° | 119.9° |
| C20 | C21 | C22 | C23 | 63.7° | 180.0° |
| C21 | C20 | H11 | H12 | 120.2° | 120.1° |
| C20 | C21 | H13 | H14 | 119.8° | 119.9° |
| C20 | C21 | C22 | H15 | 176.1° | 59.9° |
| C20 | C21 | C22 | H16 | 56.5° | 60.0° |
| C21 | C22 | C23 | H15 | 120.2° | 120.0° |
| C21 | C22 | C23 | H16 | 120.2° | 120.0° |
| C21 | C22 | C23 | P24 | 175.4° | 180.0° |
| C22 | C21 | C20 | H11 | 39.2° | 60.0° |
| C22 | C21 | C20 | H12 | 80.9° | 59.9° |
| C22 | C21 | H13 | H14 | 119.8° | 120.0° |
| C21 | C22 | H15 | H16 | 119.4° | 120.0° |
| C21 | C22 | C23 | H17 | 55.5° | 60.0° |
| C21 | C22 | C23 | H18 | 64.8° | 60.0° |
| C15 | C16 | C17 | O18 | 174.4° | 174.3° |
| C15 | C16 | C17 | O19 | 6.6° | 5.7° |
| C16 | C17 | O18 | O19 | 178.9° | 180.0° |
| C17 | C16 | C15 | H9 | 0.3° | 0.0° |
| C16 | C17 | O19 | H10 | 179.0° | 180.0° |
| C22 | C23 | P24 | H17 | 119.9° | 120.0° |
| C22 | C23 | P24 | H18 | 119.8° | 120.0° |
| C22 | C23 | P24 | O25 | 58.0° | 55.0° |
| C22 | C23 | P24 | O27 | 67.3° | 65.0° |
| C22 | C23 | P24 | O26 | 169.7° | 175.0° |
| C23 | C22 | C21 | H13 | 56.4° | 60.0° |
| C23 | C22 | C21 | H14 | 176.2° | 60.0° |
| C23 | C22 | H15 | H16 | 119.5° | 120.0° |
| C22 | C23 | H17 | H18 | 120.4° | 120.0° |
| O04 | C02 | O03 | H1 | 0.0° | 0.0° |
| O18 | C17 | O19 | H10 | 0.0° | 0.0° |
| C23 | P24 | O25 | O27 | 124.4° | 120.0° |
| C23 | P24 | O25 | O26 | 115.3° | 120.0° |
| C23 | P24 | O27 | O26 | 119.8° | 120.0° |
| P24 | C23 | C22 | H15 | 64.4° | 60.0° |
| P24 | C23 | C22 | H16 | 55.2° | 60.0° |
| P24 | C23 | H17 | H18 | 120.4° | 120.0° |
| C23 | P24 | O26 | H19 | 120.0° | 180.0° |
| C23 | P24 | O27 | H20 | 126.9° | 60.0° |
| O25 | P24 | O27 | O26 | 113.3° | 120.0° |
| O25 | P24 | C23 | H17 | 61.9° | 65.0° |
| O25 | P24 | C23 | H18 | 177.8° | 175.0° |
| O25 | P24 | O26 | H19 | 0.0° | 60.0° |
| O25 | P24 | O27 | H20 | 0.0° | 180.0° |
| O27 | P24 | C23 | H17 | 172.8° | 175.0° |
| O27 | P24 | C23 | H18 | 52.5° | 55.0° |
| O27 | P24 | O26 | H19 | 119.1° | 60.0° |
| O26 | P24 | C23 | H17 | 49.9° | 55.0° |
| O26 | P24 | C23 | H18 | 70.4° | 65.0° |
| O26 | P24 | O27 | H20 | 113.3° | 60.0° |
| H2 | C05 | C06 | H3 | 0.4° | 0.0° |
| H3 | C06 | C07 | H4 | 0.8° | 0.0° |
| H4 | C07 | C08 | H5 | 1.1° | 0.0° |
| H7 | C12 | C13 | H8 | 0.6° | 0.0° |
| H11 | C20 | C21 | H13 | 159.2° | 60.1° |
| H11 | C20 | C21 | H14 | 80.9° | 180.0° |
| H12 | C20 | C21 | H13 | 39.1° | 180.0° |
| H12 | C20 | C21 | H14 | 159.0° | 60.0° |
| H13 | C21 | C22 | H15 | 63.8° | 180.0° |
| H13 | C21 | C22 | H16 | 176.5° | 60.1° |
| H14 | C21 | C22 | H15 | 56.0° | 60.0° |
| H14 | C21 | C22 | H16 | 63.6° | 180.0° |
| H15 | C22 | C23 | H17 | 175.7° | 180.0° |
| H15 | C22 | C23 | H18 | 55.4° | 60.0° |
| H16 | C22 | C23 | H17 | 64.6° | 60.1° |
| H16 | C22 | C23 | H18 | 175.1° | 180.0° |
