7P3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C21 | O20 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C13 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| O20 | C14 | sing | 1.36Å | 1.41Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| O29 | P26 | doub | 1.48Å | 1.51Å | |
| C07 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.42Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | P26 | sing | 1.82Å | 1.84Å | |
| C11 | N10 | sing | 1.39Å | 1.44Å | |
| C11 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.46Å | |
| C09 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C05 | C01 | sing | 1.40Å | 1.40Å | Aromatic |
| P26 | O27 | sing | 1.61Å | 1.51Å | |
| P26 | O28 | sing | 1.61Å | 1.51Å | |
| C01 | C02 | sing | 1.47Å | 1.40Å | |
| C16 | C17 | sing | 1.47Å | 1.38Å | |
| C02 | O04 | doub | 1.22Å | 1.27Å | |
| C02 | O03 | sing | 1.35Å | 1.26Å | |
| C17 | O18 | doub | 1.22Å | 1.27Å | |
| C17 | O19 | sing | 1.35Å | 1.25Å | |
| 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 | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C24 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| O28 | H21 | sing | 0.97Å | 0.95Å | |
| O27 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | O20 | 112.3° | 109.4° |
| C21 | C22 | C23 | 111.1° | 109.4° |
| C22 | C21 | H11 | 108.7° | 109.5° |
| C22 | C21 | H12 | 108.8° | 109.5° |
| C21 | C22 | H13 | 109.1° | 109.5° |
| C21 | C22 | H14 | 109.1° | 109.5° |
| C21 | O20 | C14 | 112.9° | 117.0° |
| O20 | C21 | H11 | 108.8° | 109.4° |
| O20 | C21 | H12 | 108.8° | 109.5° |
| C22 | C23 | C24 | 108.7° | 109.4° |
| C23 | C22 | H13 | 109.1° | 109.5° |
| C23 | C22 | H14 | 109.1° | 109.5° |
| C22 | C23 | H15 | 109.7° | 109.4° |
| C22 | C23 | H16 | 109.7° | 109.5° |
| C12 | C13 | C14 | 120.3° | 120.4° |
| C13 | C12 | C11 | 119.7° | 120.2° |
| C13 | C12 | H7 | 120.2° | 119.9° |
| C12 | C13 | H8 | 119.9° | 119.9° |
| C13 | C14 | O20 | 122.5° | 119.9° |
| C13 | C14 | C15 | 119.5° | 120.2° |
| C14 | C13 | H8 | 119.8° | 119.8° |
| O20 | C14 | C15 | 118.0° | 119.9° |
| C23 | C24 | C25 | 110.7° | 109.4° |
| C24 | C23 | H15 | 109.7° | 109.5° |
| C24 | C23 | H16 | 109.7° | 109.5° |
| C23 | C24 | H17 | 109.2° | 109.5° |
| C23 | C24 | H18 | 109.2° | 109.5° |
| C12 | C11 | N10 | 123.6° | 120.1° |
| C12 | C11 | C16 | 119.3° | 119.7° |
| C11 | C12 | H7 | 120.1° | 119.9° |
| C14 | C15 | C16 | 120.2° | 119.9° |
| C14 | C15 | H9 | 119.9° | 120.0° |
| C24 | C25 | P26 | 109.7° | 109.5° |
| C25 | C24 | H17 | 109.2° | 109.5° |
| C25 | C24 | H18 | 109.2° | 109.5° |
| C24 | C25 | H19 | 109.4° | 109.5° |
| C24 | C25 | H20 | 109.4° | 109.5° |
| O29 | P26 | C25 | 109.8° | 109.5° |
| O29 | P26 | O27 | 109.4° | 109.4° |
| O29 | P26 | O28 | 109.0° | 109.5° |
| C08 | C07 | C06 | 120.1° | 120.5° |
| C07 | C08 | C09 | 120.0° | 120.1° |
| C08 | C07 | H4 | 120.0° | 119.8° |
| C07 | C08 | H5 | 120.0° | 120.0° |
| C07 | C06 | C05 | 120.1° | 120.3° |
| C07 | C06 | H3 | 120.0° | 119.8° |
| C06 | C07 | H4 | 119.9° | 119.7° |
| C08 | C09 | N10 | 122.7° | 120.2° |
| C08 | C09 | C01 | 119.4° | 119.6° |
| C09 | C08 | H5 | 120.0° | 119.9° |
| C06 | C05 | C01 | 119.7° | 119.9° |
| C06 | C05 | H2 | 120.1° | 120.0° |
| C05 | C06 | H3 | 119.9° | 119.8° |
| C25 | P26 | O27 | 109.4° | 109.5° |
| C25 | P26 | O28 | 109.8° | 109.5° |
| P26 | C25 | H19 | 109.4° | 109.4° |
| P26 | C25 | H20 | 109.4° | 109.4° |
| N10 | C11 | C16 | 117.0° | 120.1° |
| C11 | N10 | C09 | 125.9° | 120.0° |
| C11 | N10 | H6 | 117.1° | 120.0° |
| C11 | C16 | C15 | 120.9° | 119.7° |
| C11 | C16 | C17 | 120.5° | 120.2° |
| N10 | C09 | C01 | 117.8° | 120.2° |
| C09 | N10 | H6 | 117.0° | 120.1° |
| C09 | C01 | C05 | 120.6° | 119.6° |
| C09 | C01 | C02 | 119.6° | 120.2° |
| C15 | C16 | C17 | 118.6° | 120.2° |
| C16 | C15 | H9 | 119.9° | 120.1° |
| C05 | C01 | C02 | 119.8° | 120.2° |
| C01 | C05 | H2 | 120.2° | 120.0° |
| O27 | P26 | O28 | 109.4° | 109.4° |
| P26 | O27 | H22 | 109.5° | 114.0° |
| P26 | O28 | H21 | 109.5° | 114.1° |
| C01 | C02 | O04 | 118.6° | 120.0° |
| C01 | C02 | O03 | 133.1° | 120.0° |
| C16 | C17 | O18 | 132.6° | 120.0° |
| C16 | C17 | O19 | 119.5° | 120.0° |
| O04 | C02 | O03 | 108.3° | 120.0° |
| C02 | O03 | H1 | 109.5° | 117.0° |
| O18 | C17 | O19 | 107.8° | 120.0° |
| C17 | O19 | H10 | 109.5° | 117.0° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H17 | C24 | H18 | 109.5° | 109.5° |
| H19 | C25 | H20 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | O20 | H11 | 120.4° | 120.0° |
| C22 | C21 | O20 | H12 | 120.4° | 120.0° |
| C21 | C22 | C23 | H13 | 120.2° | 120.0° |
| C21 | C22 | C23 | H14 | 120.2° | 120.0° |
| C22 | C21 | O20 | C14 | 59.3° | 180.0° |
| C21 | C22 | C23 | C24 | 171.5° | NaN° |
| C22 | C21 | H11 | H12 | 118.7° | 120.1° |
| C21 | C22 | H13 | H14 | 119.2° | 120.1° |
| C21 | C22 | C23 | H15 | 51.6° | 60.0° |
| C21 | C22 | C23 | H16 | 68.6° | 60.0° |
| O20 | C21 | C22 | C23 | 58.6° | 180.0° |
| C21 | O20 | C14 | C13 | 51.0° | 0.0° |
| C21 | O20 | C14 | C15 | 129.1° | 180.0° |
| O20 | C21 | H11 | H12 | 118.7° | 120.0° |
| O20 | C21 | C22 | H13 | 178.8° | 60.0° |
| O20 | C21 | C22 | H14 | 61.7° | 60.0° |
| C22 | C23 | C24 | H15 | 119.9° | 120.0° |
| C22 | C23 | C24 | H16 | 119.8° | 120.0° |
| C22 | C23 | C24 | C25 | 175.2° | 180.0° |
| C23 | C22 | C21 | H11 | 179.0° | 60.0° |
| C23 | C22 | C21 | H12 | 61.9° | 60.0° |
| C23 | C22 | H13 | H14 | 119.3° | 120.0° |
| C22 | C23 | H15 | H16 | 120.4° | 120.0° |
| C22 | C23 | C24 | H17 | 55.1° | 60.0° |
| C22 | C23 | C24 | H18 | 64.6° | 60.0° |
| C12 | C13 | C14 | H8 | 180.0° | 179.9° |
| C12 | C13 | C14 | O20 | 179.7° | 179.9° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C13 | C12 | C11 | N10 | 179.1° | 180.0° |
| C13 | C12 | C11 | C16 | 1.3° | 0.3° |
| C13 | C14 | O20 | C15 | 179.9° | 179.9° |
| C14 | C13 | C12 | C11 | 1.0° | 0.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.3° |
| C14 | C13 | C12 | H7 | 179.0° | 179.9° |
| C13 | C14 | C15 | H9 | 179.7° | 180.0° |
| O20 | C14 | C15 | C16 | 179.8° | 179.7° |
| O20 | C14 | C13 | H8 | 0.3° | 0.0° |
| O20 | C14 | C15 | H9 | 0.1° | 0.1° |
| C14 | O20 | C21 | H11 | 61.1° | 60.1° |
| C14 | O20 | C21 | H12 | 179.7° | 60.0° |
| C23 | C24 | C25 | H17 | 120.2° | 120.0° |
| C23 | C24 | C25 | H18 | 120.2° | 120.0° |
| C23 | C24 | C25 | P26 | 178.2° | 180.0° |
| C24 | C23 | C22 | H13 | 68.2° | 60.0° |
| C24 | C23 | C22 | H14 | 51.3° | 60.0° |
| C24 | C23 | H15 | H16 | 120.4° | 120.1° |
| C23 | C24 | H17 | H18 | 119.5° | 120.0° |
| C23 | C24 | C25 | H19 | 58.2° | 60.0° |
| C23 | C24 | C25 | H20 | 61.8° | 60.0° |
| C12 | C11 | N10 | C16 | 177.8° | 179.7° |
| C12 | C11 | N10 | C09 | 32.0° | 25.5° |
| C12 | C11 | C16 | C15 | 1.2° | 0.6° |
| C12 | C11 | C16 | C17 | 179.8° | 179.7° |
| C12 | C11 | N10 | H6 | 148.0° | 154.5° |
| C11 | C12 | C13 | H8 | 179.0° | 179.9° |
| C14 | C15 | C16 | C11 | 0.7° | 0.6° |
| C14 | C15 | C16 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 179.7° | 179.7° |
| C15 | C14 | C13 | H8 | 179.6° | 179.9° |
| C24 | C25 | P26 | O29 | 48.7° | 55.0° |
| C24 | C25 | P26 | H19 | 120.0° | 120.0° |
| C24 | C25 | P26 | H20 | 120.0° | 120.0° |
| C24 | C25 | P26 | O27 | 168.8° | 65.0° |
| C24 | C25 | P26 | O28 | 71.1° | 175.0° |
| C25 | C24 | C23 | H15 | 64.9° | 60.0° |
| C25 | C24 | C23 | H16 | 55.4° | 60.0° |
| C25 | C24 | H17 | H18 | 119.4° | 120.0° |
| C24 | C25 | H19 | H20 | 119.9° | 120.1° |
| O29 | P26 | C25 | O27 | 120.1° | 120.0° |
| O29 | P26 | C25 | O28 | 119.8° | 120.0° |
| O29 | P26 | O27 | O28 | 119.3° | 120.0° |
| O29 | P26 | C25 | H19 | 168.7° | 65.0° |
| O29 | P26 | C25 | H20 | 71.4° | 175.0° |
| O29 | P26 | O28 | H21 | 0.0° | 59.9° |
| O29 | P26 | O27 | H22 | 0.0° | 180.0° |
| C08 | C07 | C06 | H4 | 180.0° | 179.7° |
| C07 | C08 | C09 | H5 | 180.0° | 179.8° |
| C08 | C07 | C06 | C05 | 0.0° | 0.0° |
| C07 | C08 | C09 | N10 | 179.6° | 180.0° |
| C07 | C08 | C09 | C01 | 0.4° | 0.5° |
| C08 | C07 | C06 | H3 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.3° | 0.2° |
| C07 | C06 | C05 | H3 | 180.0° | 180.0° |
| C07 | C06 | C05 | C01 | 0.2° | 0.1° |
| C07 | C06 | C05 | H2 | 179.7° | 180.0° |
| C06 | C07 | C08 | H5 | 179.7° | 180.0° |
| C08 | C09 | N10 | C11 | 18.1° | 25.6° |
| C08 | C09 | N10 | C01 | 179.2° | 179.6° |
| C08 | C09 | C01 | C05 | 0.1° | 0.5° |
| C08 | C09 | C01 | C02 | 179.7° | 179.8° |
| C09 | C08 | C07 | H4 | 179.7° | 179.9° |
| C08 | C09 | N10 | H6 | 161.9° | 154.5° |
| C06 | C05 | C01 | C09 | 0.2° | 0.3° |
| C06 | C05 | C01 | H2 | 180.0° | 179.9° |
| C06 | C05 | C01 | C02 | 180.0° | 180.0° |
| C05 | C06 | C07 | H4 | 180.0° | 179.7° |
| C25 | P26 | O27 | O28 | 120.4° | 120.0° |
| P26 | C25 | C24 | H17 | 61.7° | 60.0° |
| P26 | C25 | C24 | H18 | 58.0° | 60.0° |
| P26 | C25 | H19 | H20 | 119.9° | 119.9° |
| C25 | P26 | O28 | H21 | 120.3° | 180.0° |
| C25 | P26 | O27 | H22 | 120.3° | 60.0° |
| C11 | N10 | C09 | H6 | 180.0° | 179.9° |
| C11 | N10 | C09 | C01 | 162.7° | 154.0° |
| N10 | C11 | C16 | C15 | 179.1° | 179.7° |
| N10 | C11 | C16 | C17 | 1.9° | 0.0° |
| N10 | C11 | C12 | H7 | 0.9° | 0.1° |
| C16 | C11 | N10 | C09 | 150.2° | 154.2° |
| C11 | C16 | C15 | C17 | 179.1° | 179.7° |
| C11 | C16 | C17 | O18 | 27.0° | 6.0° |
| C11 | C16 | C17 | O19 | 152.6° | 173.9° |
| C16 | C11 | N10 | H6 | 29.8° | 25.9° |
| C16 | C11 | C12 | H7 | 178.7° | 179.7° |
| C11 | C16 | C15 | H9 | 179.4° | 179.7° |
| N10 | C09 | C01 | C05 | 179.3° | 179.9° |
| N10 | C09 | C01 | C02 | 0.4° | 0.3° |
| N10 | C09 | C08 | H5 | 0.4° | 0.1° |
| C09 | C01 | C05 | C02 | 179.8° | 179.6° |
| C09 | C01 | C02 | O04 | 170.6° | 6.4° |
| C09 | C01 | C02 | O03 | 9.7° | 173.7° |
| C09 | C01 | C05 | H2 | 179.8° | 179.8° |
| C01 | C09 | C08 | H5 | 179.6° | 179.7° |
| C01 | C09 | N10 | H6 | 17.3° | 25.9° |
| C15 | C16 | C17 | O18 | 154.0° | 174.3° |
| C15 | C16 | C17 | O19 | 26.5° | 5.8° |
| C05 | C01 | C02 | O04 | 9.6° | 174.0° |
| C05 | C01 | C02 | O03 | 170.1° | 5.9° |
| C01 | C05 | C06 | H3 | 179.8° | 179.9° |
| O27 | P26 | C25 | H19 | 71.2° | 175.0° |
| O27 | P26 | C25 | H20 | 48.8° | 55.1° |
| O27 | P26 | O28 | H21 | 119.6° | 60.0° |
| O28 | P26 | C25 | H19 | 48.9° | 55.0° |
| O28 | P26 | C25 | H20 | 168.9° | 64.9° |
| O28 | P26 | O27 | H22 | 119.3° | 60.0° |
| C01 | C02 | O04 | O03 | 179.8° | 179.9° |
| C01 | C02 | O03 | H1 | 179.8° | 180.0° |
| C02 | C01 | C05 | H2 | 0.0° | 0.2° |
| C16 | C17 | O18 | O19 | 179.6° | 179.9° |
| C17 | C16 | C15 | H9 | 0.3° | 0.0° |
| C16 | C17 | O19 | H10 | 179.7° | 180.0° |
| O04 | C02 | O03 | H1 | 0.0° | 0.0° |
| O18 | C17 | O19 | H10 | 0.0° | 0.1° |
| H2 | C05 | C06 | H3 | 0.3° | 0.0° |
| H3 | C06 | C07 | H4 | 0.0° | 0.2° |
| H4 | C07 | C08 | H5 | 0.3° | 0.2° |
| H7 | C12 | C13 | H8 | 1.0° | 0.0° |
| H11 | C21 | C22 | H13 | 60.8° | 180.0° |
| H11 | C21 | C22 | H14 | 58.7° | 59.9° |
| H12 | C21 | C22 | H13 | 58.4° | 59.9° |
| H12 | C21 | C22 | H14 | 177.9° | 180.0° |
| H13 | C22 | C23 | H15 | 171.9° | 180.0° |
| H13 | C22 | C23 | H16 | 51.6° | 60.0° |
| H14 | C22 | C23 | H15 | 68.6° | 60.0° |
| H14 | C22 | C23 | H16 | 171.1° | 180.0° |
| H15 | C23 | C24 | H17 | 174.9° | 180.0° |
| H15 | C23 | C24 | H18 | 55.3° | 59.9° |
| H16 | C23 | C24 | H17 | 64.8° | 59.9° |
| H16 | C23 | C24 | H18 | 175.6° | 180.0° |
| H17 | C24 | C25 | H19 | 178.3° | 180.0° |
| H17 | C24 | C25 | H20 | 58.4° | 60.0° |
| H18 | C24 | C25 | H19 | 62.0° | 60.0° |
| H18 | C24 | C25 | H20 | 178.0° | 180.0° |
