7P1
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 | 1.39Å | Aromatic |
| C05 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| C09 | C01 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | N10 | sing | 1.39Å | 1.43Å | |
| C01 | C02 | sing | 1.47Å | 1.52Å | |
| C12 | C13 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.38Å | Aromatic |
| N10 | C11 | sing | 1.39Å | 1.43Å | |
| C11 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C02 | O03 | doub | 1.22Å | 1.26Å | |
| C02 | O04 | sing | 1.35Å | 1.26Å | |
| C14 | O20 | sing | 1.36Å | 1.41Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| O20 | C21 | sing | 1.43Å | 1.40Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| C17 | O18 | doub | 1.22Å | 1.26Å | |
| C17 | O19 | sing | 1.35Å | 1.26Å | |
| O26 | P24 | doub | 1.48Å | 1.48Å | |
| C23 | P24 | sing | 1.82Å | 1.81Å | |
| O27 | P24 | sing | 1.61Å | 1.48Å | |
| P24 | O25 | sing | 1.61Å | 1.48Å | |
| O04 | 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 | |
| O25 | H17 | sing | 0.97Å | 0.95Å | |
| O27 | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 120.0° | 120.5° |
| C07 | C06 | C05 | 119.9° | 120.3° |
| C07 | C06 | H3 | 120.0° | 119.9° |
| C06 | C07 | H4 | 120.0° | 119.7° |
| C07 | C08 | C09 | 120.6° | 120.1° |
| C08 | C07 | H4 | 120.0° | 119.8° |
| C07 | C08 | H5 | 119.7° | 120.0° |
| C06 | C05 | C01 | 120.1° | 119.9° |
| C06 | C05 | H2 | 119.9° | 120.0° |
| C05 | C06 | H3 | 120.1° | 119.8° |
| C08 | C09 | C01 | 118.8° | 119.6° |
| C08 | C09 | N10 | 122.9° | 120.2° |
| C09 | C08 | H5 | 119.7° | 119.9° |
| C05 | C01 | C09 | 120.5° | 119.6° |
| C05 | C01 | C02 | 119.4° | 120.2° |
| C01 | C05 | H2 | 119.9° | 120.1° |
| C01 | C09 | N10 | 118.3° | 120.2° |
| C09 | C01 | C02 | 120.1° | 120.2° |
| C09 | N10 | C11 | 124.7° | 120.0° |
| C09 | N10 | H6 | 117.7° | 120.0° |
| C01 | C02 | O03 | 120.2° | 120.0° |
| C01 | C02 | O04 | 119.9° | 120.0° |
| C13 | C12 | C11 | 120.4° | 120.1° |
| C12 | C13 | C14 | 120.4° | 120.4° |
| C13 | C12 | H7 | 119.8° | 119.9° |
| C12 | C13 | H8 | 119.8° | 119.8° |
| C12 | C11 | N10 | 122.3° | 120.1° |
| C12 | C11 | C16 | 118.9° | 119.7° |
| C11 | C12 | H7 | 119.8° | 119.9° |
| C13 | C14 | O20 | 118.6° | 119.9° |
| C13 | C14 | C15 | 119.5° | 120.2° |
| C14 | C13 | H8 | 119.8° | 119.8° |
| N10 | C11 | C16 | 118.8° | 120.2° |
| C11 | N10 | H6 | 117.6° | 120.0° |
| C11 | C16 | C15 | 120.6° | 119.6° |
| C11 | C16 | C17 | 120.9° | 120.2° |
| O03 | C02 | O04 | 119.8° | 120.0° |
| C02 | O04 | H1 | 109.5° | 117.0° |
| O20 | C14 | C15 | 121.8° | 119.9° |
| C14 | O20 | C21 | 118.4° | 117.0° |
| C14 | C15 | C16 | 120.1° | 119.9° |
| C14 | C15 | H9 | 120.0° | 120.1° |
| O20 | C21 | C22 | 108.9° | 109.4° |
| O20 | C21 | H11 | 109.6° | 109.4° |
| O20 | C21 | H12 | 109.6° | 109.5° |
| C21 | C22 | C23 | 110.0° | 109.4° |
| C22 | C21 | H11 | 109.6° | 109.5° |
| C22 | C21 | H12 | 109.6° | 109.5° |
| C21 | C22 | H13 | 109.4° | 109.5° |
| C21 | C22 | H14 | 109.4° | 109.5° |
| C15 | C16 | C17 | 118.5° | 120.2° |
| C16 | C15 | H9 | 119.9° | 120.1° |
| C16 | C17 | O18 | 120.0° | 120.0° |
| C16 | C17 | O19 | 119.8° | 120.0° |
| C22 | C23 | P24 | 108.0° | 109.5° |
| C23 | C22 | H13 | 109.3° | 109.5° |
| C23 | C22 | H14 | 109.3° | 109.5° |
| C22 | C23 | H15 | 109.8° | 109.5° |
| C22 | C23 | H16 | 109.8° | 109.5° |
| O18 | C17 | O19 | 120.1° | 120.0° |
| C17 | O19 | H10 | 109.5° | 117.0° |
| O26 | P24 | C23 | 114.1° | 109.5° |
| O26 | P24 | O27 | 105.0° | 109.5° |
| O26 | P24 | O25 | 103.8° | 109.5° |
| C23 | P24 | O27 | 113.5° | 109.5° |
| C23 | P24 | O25 | 113.8° | 109.5° |
| P24 | C23 | H15 | 109.8° | 109.5° |
| P24 | C23 | H16 | 109.8° | 109.4° |
| O27 | P24 | O25 | 105.6° | 109.5° |
| P24 | O27 | H18 | 109.5° | 114.0° |
| P24 | O25 | H17 | 109.5° | 114.0° |
| H11 | C21 | H12 | 109.5° | 109.5° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H15 | C23 | H16 | 109.5° | 109.5° |
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° | 179.9° |
| C06 | C07 | C08 | C09 | 0.4° | 0.3° |
| C07 | C06 | C05 | C01 | 0.1° | 0.1° |
| C07 | C06 | C05 | H2 | 180.0° | 180.0° |
| C06 | C07 | C08 | H5 | 179.7° | 179.9° |
| C08 | C07 | C06 | C05 | 0.2° | 0.0° |
| C07 | C08 | C09 | H5 | 180.0° | 179.8° |
| C07 | C08 | C09 | C01 | 0.3° | 0.6° |
| C07 | C08 | C09 | N10 | 180.0° | 180.0° |
| C08 | C07 | C06 | H3 | 179.8° | 180.0° |
| C06 | C05 | C01 | H2 | 180.0° | 180.0° |
| C06 | C05 | C01 | C09 | 0.1° | 0.2° |
| C06 | C05 | C01 | C02 | 179.7° | 180.0° |
| C05 | C06 | C07 | H4 | 179.8° | 180.0° |
| C08 | C09 | C01 | C05 | 0.1° | 0.5° |
| C08 | C09 | C01 | N10 | 179.7° | 179.4° |
| C08 | C09 | C01 | C02 | 179.5° | 179.7° |
| C08 | C09 | N10 | C11 | 13.7° | 25.5° |
| C09 | C08 | C07 | H4 | 179.6° | 179.7° |
| C08 | C09 | N10 | H6 | 166.3° | 154.5° |
| C05 | C01 | C09 | C02 | 179.6° | 179.8° |
| C05 | C01 | C09 | N10 | 179.8° | 179.9° |
| C05 | C01 | C02 | O03 | 51.5° | 174.0° |
| C05 | C01 | C02 | O04 | 128.6° | 6.1° |
| C01 | C05 | C06 | H3 | 179.9° | 180.0° |
| C01 | C09 | N10 | C11 | 166.6° | 153.9° |
| C09 | C01 | C02 | O03 | 128.9° | 6.3° |
| C09 | C01 | C02 | O04 | 51.0° | 173.7° |
| C09 | C01 | C05 | H2 | 179.9° | 179.7° |
| C01 | C09 | C08 | H5 | 179.7° | 179.6° |
| C01 | C09 | N10 | H6 | 13.4° | 26.1° |
| N10 | C09 | C01 | C02 | 0.2° | 0.3° |
| C09 | N10 | C11 | C12 | 34.0° | 25.6° |
| C09 | N10 | C11 | H6 | 180.0° | 180.0° |
| C09 | N10 | C11 | C16 | 147.2° | 154.2° |
| N10 | C09 | C08 | H5 | 0.0° | 0.2° |
| C01 | C02 | O03 | O04 | 179.9° | 180.0° |
| C01 | C02 | O04 | H1 | 179.9° | 180.0° |
| C02 | C01 | C05 | H2 | 0.3° | 0.0° |
| C13 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C13 | C14 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | N10 | 179.9° | 180.0° |
| C13 | C12 | C11 | C16 | 1.3° | 0.3° |
| C12 | C13 | C14 | O20 | 178.9° | 180.0° |
| C12 | C13 | C14 | C15 | 0.4° | 0.0° |
| C11 | C12 | C13 | C14 | 0.7° | 0.0° |
| C12 | C11 | N10 | C16 | 178.8° | 179.8° |
| C12 | C11 | C16 | C15 | 0.7° | 0.6° |
| C12 | C11 | C16 | C17 | 179.2° | 179.7° |
| C12 | C11 | N10 | H6 | 146.0° | 154.5° |
| C11 | C12 | C13 | H8 | 179.3° | 180.0° |
| C13 | C14 | O20 | C15 | 178.5° | 179.9° |
| C13 | C14 | O20 | C21 | 144.0° | 0.1° |
| C13 | C14 | C15 | C16 | 0.9° | 0.3° |
| C14 | C13 | C12 | H7 | 179.3° | 180.0° |
| C13 | C14 | C15 | H9 | 179.1° | 179.9° |
| N10 | C11 | C16 | C15 | 179.6° | 179.7° |
| N10 | C11 | C16 | C17 | 0.3° | 0.0° |
| N10 | C11 | C12 | H7 | 0.1° | 0.0° |
| C11 | C16 | C15 | C14 | 0.4° | 0.6° |
| C11 | C16 | C15 | C17 | 179.9° | 179.7° |
| C11 | C16 | C17 | O18 | 23.4° | 6.1° |
| C11 | C16 | C17 | O19 | 157.3° | 174.0° |
| C16 | C11 | N10 | H6 | 32.8° | 25.8° |
| C16 | C11 | C12 | H7 | 178.7° | 179.8° |
| C11 | C16 | C15 | H9 | 179.6° | 179.7° |
| O03 | C02 | O04 | H1 | 0.0° | 0.0° |
| C14 | O20 | C21 | C22 | 148.0° | 180.0° |
| O20 | C14 | C15 | C16 | 179.4° | 179.7° |
| O20 | C14 | C13 | H8 | 1.1° | 0.0° |
| O20 | C14 | C15 | H9 | 0.6° | 0.0° |
| C14 | O20 | C21 | H11 | 92.1° | 60.1° |
| C14 | O20 | C21 | H12 | 28.1° | 60.0° |
| C15 | C14 | O20 | C21 | 37.5° | 180.0° |
| C14 | C15 | C16 | H9 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 179.7° | 179.7° |
| C15 | C14 | C13 | H8 | 179.6° | 179.9° |
| O20 | C21 | C22 | H11 | 119.9° | 119.9° |
| O20 | C21 | C22 | H12 | 119.9° | 120.0° |
| O20 | C21 | C22 | C23 | 113.5° | 180.0° |
| O20 | C21 | H11 | H12 | 120.3° | 120.0° |
| O20 | C21 | C22 | H13 | 6.6° | 60.1° |
| O20 | C21 | C22 | H14 | 126.4° | 60.0° |
| C21 | C22 | C23 | H13 | 120.1° | 120.0° |
| C21 | C22 | C23 | H14 | 120.1° | 120.0° |
| C21 | C22 | C23 | P24 | 131.5° | 180.0° |
| C22 | C21 | H11 | H12 | 120.2° | 120.1° |
| C21 | C22 | H13 | H14 | 119.8° | 120.0° |
| C21 | C22 | C23 | H15 | 11.7° | 60.0° |
| C21 | C22 | C23 | H16 | 108.7° | 60.0° |
| C15 | C16 | C17 | O18 | 156.5° | 174.2° |
| C15 | C16 | C17 | O19 | 22.8° | 5.7° |
| C16 | C17 | O18 | O19 | 179.3° | 180.0° |
| C17 | C16 | C15 | H9 | 0.3° | 0.0° |
| C16 | C17 | O19 | H10 | 179.3° | 180.0° |
| C22 | C23 | P24 | O26 | 25.7° | 55.0° |
| C22 | C23 | P24 | H15 | 119.8° | 120.0° |
| C22 | C23 | P24 | H16 | 119.8° | 120.0° |
| C22 | C23 | P24 | O27 | 94.6° | 175.0° |
| C22 | C23 | P24 | O25 | 144.6° | 64.9° |
| C23 | C22 | C21 | H11 | 126.6° | 60.0° |
| C23 | C22 | C21 | H12 | 6.4° | 60.0° |
| C23 | C22 | H13 | H14 | 119.7° | 120.0° |
| C22 | C23 | H15 | H16 | 120.6° | 120.0° |
| O18 | C17 | O19 | H10 | 0.0° | 0.0° |
| O26 | P24 | C23 | O27 | 120.3° | 120.0° |
| O26 | P24 | C23 | O25 | 118.9° | 120.0° |
| O26 | P24 | O27 | O25 | 109.3° | 120.0° |
| O26 | P24 | C23 | H15 | 145.4° | 65.0° |
| O26 | P24 | C23 | H16 | 94.1° | 175.0° |
| O26 | P24 | O25 | H17 | 0.0° | 180.0° |
| O26 | P24 | O27 | H18 | 0.0° | 59.9° |
| C23 | P24 | O27 | O25 | 125.3° | 120.0° |
| P24 | C23 | C22 | H13 | 108.4° | 60.0° |
| P24 | C23 | C22 | H14 | 11.4° | 60.1° |
| P24 | C23 | H15 | H16 | 120.7° | 120.0° |
| C23 | P24 | O25 | H17 | 124.7° | 60.1° |
| C23 | P24 | O27 | H18 | 125.4° | 179.9° |
| O27 | P24 | C23 | H15 | 25.1° | 55.0° |
| O27 | P24 | C23 | H16 | 145.6° | 65.0° |
| O27 | P24 | O25 | H17 | 110.2° | 60.0° |
| O25 | P24 | C23 | H15 | 95.6° | 175.0° |
| O25 | P24 | C23 | H16 | 24.8° | 55.0° |
| O25 | P24 | O27 | H18 | 109.3° | 60.0° |
| H2 | C05 | C06 | H3 | 0.1° | 0.1° |
| H3 | C06 | C07 | H4 | 0.2° | 0.1° |
| H4 | C07 | C08 | H5 | 0.3° | 0.1° |
| H7 | C12 | C13 | H8 | 0.7° | 0.0° |
| H11 | C21 | C22 | H13 | 113.4° | 180.0° |
| H11 | C21 | C22 | H14 | 6.5° | 60.0° |
| H12 | C21 | C22 | H13 | 126.5° | 60.0° |
| H12 | C21 | C22 | H14 | 113.7° | 180.0° |
| H13 | C22 | C23 | H15 | 131.8° | 180.0° |
| H13 | C22 | C23 | H16 | 11.4° | 60.0° |
| H14 | C22 | C23 | H15 | 108.4° | 60.0° |
| H14 | C22 | C23 | H16 | 131.2° | 180.0° |
