8QI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | C27 | doub | 1.22Å | 1.40Å | |
| N03 | C27 | sing | 1.35Å | 1.32Å | |
| N03 | C02 | sing | 1.36Å | 1.33Å | |
| N01 | C02 | sing | 1.37Å | 1.45Å | |
| C27 | C26 | sing | 1.41Å | 1.41Å | |
| C02 | N04 | doub | 1.31Å | 1.32Å | |
| C26 | C05 | doub | 1.40Å | 1.38Å | Aromatic |
| C26 | N25 | sing | 1.35Å | 1.34Å | Aromatic |
| N04 | C05 | sing | 1.34Å | 1.34Å | |
| C05 | N06 | sing | 1.37Å | 1.34Å | Aromatic |
| N25 | C24 | doub | 1.30Å | 1.32Å | Aromatic |
| N06 | C24 | sing | 1.37Å | 1.32Å | Aromatic |
| N06 | C07 | sing | 1.46Å | 1.45Å | |
| O15 | P13 | doub | 1.48Å | 1.51Å | |
| O14 | P13 | sing | 1.61Å | 1.51Å | |
| P13 | O16 | sing | 1.61Å | 1.51Å | |
| P13 | C11 | sing | 1.82Å | 1.86Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | O09 | sing | 1.43Å | 1.40Å | |
| C08 | O09 | sing | 1.43Å | 1.40Å | |
| C08 | C17 | sing | 1.53Å | 1.52Å | |
| C11 | O12 | sing | 1.43Å | 1.40Å | |
| C19 | O18 | sing | 1.43Å | 1.40Å | |
| C19 | P20 | sing | 1.82Å | 1.86Å | |
| C17 | O18 | sing | 1.43Å | 1.40Å | |
| O21 | P20 | doub | 1.48Å | 1.51Å | |
| P20 | O23 | sing | 1.61Å | 1.51Å | |
| P20 | O22 | sing | 1.61Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| N03 | H14 | sing | 0.97Å | 1.00Å | |
| O12 | H15 | sing | 0.97Å | 0.95Å | |
| O14 | H16 | sing | 0.97Å | 0.95Å | |
| O16 | H17 | sing | 0.97Å | 0.95Å | |
| O22 | H18 | sing | 0.97Å | 0.95Å | |
| O23 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | C27 | N03 | 120.1° | 120.8° |
| O28 | C27 | C26 | 120.6° | 120.8° |
| C27 | N03 | C02 | 120.7° | 120.3° |
| N03 | C27 | C26 | 119.3° | 118.3° |
| C27 | N03 | H14 | 119.6° | 119.8° |
| N03 | C02 | N01 | 119.0° | 119.0° |
| N03 | C02 | N04 | 121.8° | 121.9° |
| C02 | N03 | H14 | 119.6° | 119.8° |
| N01 | C02 | N04 | 119.2° | 119.1° |
| C02 | N01 | H12 | 120.0° | 120.0° |
| C02 | N01 | H13 | 120.0° | 120.0° |
| C27 | C26 | C05 | 118.4° | 118.6° |
| C27 | C26 | N25 | 134.6° | 134.2° |
| C02 | N04 | C05 | 121.0° | 121.2° |
| C05 | C26 | N25 | 107.1° | 107.2° |
| C26 | C05 | N04 | 118.8° | 119.6° |
| C26 | C05 | N06 | 106.9° | 106.1° |
| C26 | N25 | C24 | 108.0° | 109.4° |
| N04 | C05 | N06 | 134.3° | 134.2° |
| C05 | N06 | C24 | 108.1° | 107.5° |
| C05 | N06 | C07 | 125.8° | 126.3° |
| N25 | C24 | N06 | 109.9° | 109.8° |
| N25 | C24 | H5 | 125.1° | 125.1° |
| C24 | N06 | C07 | 126.0° | 126.2° |
| N06 | C24 | H5 | 125.0° | 125.1° |
| N06 | C07 | C08 | 111.3° | 109.5° |
| N06 | C07 | H6 | 109.0° | 109.5° |
| N06 | C07 | H7 | 109.0° | 109.5° |
| O15 | P13 | O14 | 109.6° | 109.5° |
| O15 | P13 | O16 | 109.0° | 109.5° |
| O15 | P13 | C11 | 109.5° | 109.5° |
| O14 | P13 | O16 | 109.8° | 109.5° |
| O14 | P13 | C11 | 109.4° | 109.5° |
| P13 | O14 | H16 | 109.5° | 114.0° |
| O16 | P13 | C11 | 109.5° | 109.5° |
| P13 | O16 | H17 | 109.5° | 114.0° |
| P13 | C11 | C10 | 109.7° | 109.5° |
| P13 | C11 | O12 | 109.6° | 109.5° |
| P13 | C11 | H9 | 106.1° | 109.5° |
| C07 | C08 | O09 | 108.4° | 109.5° |
| C07 | C08 | C17 | 108.8° | 109.5° |
| C08 | C07 | H6 | 109.0° | 109.4° |
| C08 | C07 | H7 | 109.0° | 109.5° |
| C07 | C08 | H8 | 109.7° | 109.5° |
| C11 | C10 | O09 | 108.1° | 109.5° |
| C10 | C11 | O12 | 109.8° | 109.5° |
| C11 | C10 | H1 | 109.8° | 109.5° |
| C11 | C10 | H2 | 109.8° | 109.4° |
| C10 | C11 | H9 | 109.8° | 109.5° |
| C10 | O09 | C08 | 114.2° | 114.0° |
| O09 | C10 | H1 | 109.8° | 109.5° |
| O09 | C10 | H2 | 109.8° | 109.5° |
| O09 | C08 | C17 | 108.7° | 109.5° |
| O09 | C08 | H8 | 111.6° | 109.5° |
| C08 | C17 | O18 | 108.5° | 109.4° |
| C08 | C17 | H3 | 109.7° | 109.5° |
| C08 | C17 | H4 | 109.7° | 109.4° |
| C17 | C08 | H8 | 109.7° | 109.5° |
| O12 | C11 | H9 | 111.7° | 109.5° |
| C11 | O12 | H15 | 109.5° | 114.0° |
| O18 | C19 | P20 | 107.4° | 109.4° |
| C19 | O18 | C17 | 114.0° | 114.0° |
| O18 | C19 | H10 | 110.0° | 109.5° |
| O18 | C19 | H11 | 110.0° | 109.4° |
| C19 | P20 | O21 | 109.5° | 109.5° |
| C19 | P20 | O23 | 109.4° | 109.5° |
| C19 | P20 | O22 | 109.5° | 109.5° |
| P20 | C19 | H10 | 110.0° | 109.5° |
| P20 | C19 | H11 | 110.0° | 109.5° |
| O18 | C17 | H3 | 109.7° | 109.5° |
| O18 | C17 | H4 | 109.7° | 109.5° |
| O21 | P20 | O23 | 109.6° | 109.4° |
| O21 | P20 | O22 | 109.5° | 109.5° |
| O23 | P20 | O22 | 109.3° | 109.5° |
| P20 | O23 | H19 | 109.5° | 114.0° |
| P20 | O22 | H18 | 109.5° | 114.0° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H3 | C17 | H4 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H10 | C19 | H11 | 109.4° | 109.5° |
| H12 | N01 | H13 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | C27 | N03 | C26 | 179.9° | 180.0° |
| O28 | C27 | N03 | C02 | 180.0° | 179.9° |
| O28 | C27 | C26 | C05 | 179.9° | 180.0° |
| O28 | C27 | C26 | N25 | 0.1° | 0.0° |
| O28 | C27 | N03 | H14 | 0.0° | 0.0° |
| C27 | N03 | C02 | H14 | 180.0° | 179.9° |
| C27 | N03 | C02 | N01 | 179.9° | 179.9° |
| C27 | N03 | C02 | N04 | 0.1° | 0.0° |
| N03 | C27 | C26 | C05 | 0.1° | 0.0° |
| N03 | C27 | C26 | N25 | 180.0° | 180.0° |
| N03 | C02 | N01 | N04 | 180.0° | 180.0° |
| C02 | N03 | C27 | C26 | 0.1° | 0.1° |
| N03 | C02 | N04 | C05 | 0.0° | 0.0° |
| N03 | C02 | N01 | H12 | 180.0° | 180.0° |
| N03 | C02 | N01 | H13 | 0.0° | 0.1° |
| N01 | C02 | N04 | C05 | 180.0° | 180.0° |
| C02 | N01 | H12 | H13 | 180.0° | 180.0° |
| N01 | C02 | N03 | H14 | 0.1° | 0.0° |
| C27 | C26 | C05 | N25 | 180.0° | 180.0° |
| C27 | C26 | C05 | N04 | 0.0° | 0.0° |
| C27 | C26 | C05 | N06 | 179.9° | 180.0° |
| C27 | C26 | N25 | C24 | 179.9° | 179.9° |
| C26 | C27 | N03 | H14 | 179.9° | 179.9° |
| C02 | N04 | C05 | C26 | 0.1° | 0.0° |
| C02 | N04 | C05 | N06 | 179.9° | 179.9° |
| N04 | C02 | N01 | H12 | 0.0° | 0.0° |
| N04 | C02 | N01 | H13 | 180.0° | 180.0° |
| N04 | C02 | N03 | H14 | 179.9° | 179.9° |
| C26 | C05 | N04 | N06 | 180.0° | 180.0° |
| C05 | C26 | N25 | C24 | 0.0° | 0.1° |
| C26 | C05 | N06 | C24 | 0.2° | 0.1° |
| C26 | C05 | N06 | C07 | 179.6° | 179.8° |
| N25 | C26 | C05 | N04 | 179.9° | 180.0° |
| N25 | C26 | C05 | N06 | 0.1° | 0.0° |
| C26 | N25 | C24 | N06 | 0.1° | 0.2° |
| C26 | N25 | C24 | H5 | 179.9° | 180.0° |
| N04 | C05 | N06 | C24 | 179.9° | 179.9° |
| N04 | C05 | N06 | C07 | 0.4° | 0.2° |
| C05 | N06 | C24 | N25 | 0.2° | 0.1° |
| C05 | N06 | C24 | C07 | 179.5° | 179.9° |
| C05 | N06 | C07 | C08 | 107.6° | 88.7° |
| C05 | N06 | C24 | H5 | 179.8° | 180.0° |
| C05 | N06 | C07 | H6 | 132.1° | 31.2° |
| C05 | N06 | C07 | H7 | 12.7° | 151.3° |
| N25 | C24 | N06 | H5 | 180.0° | 179.9° |
| N25 | C24 | N06 | C07 | 179.7° | 179.8° |
| C24 | N06 | C07 | C08 | 73.0° | 91.4° |
| C24 | N06 | C07 | H6 | 47.2° | 148.7° |
| C24 | N06 | C07 | H7 | 166.7° | 28.6° |
| N06 | C07 | C08 | H6 | 120.3° | 120.0° |
| N06 | C07 | C08 | H7 | 120.3° | 120.0° |
| N06 | C07 | C08 | O09 | 147.3° | 66.0° |
| N06 | C07 | C08 | C17 | 94.7° | 174.0° |
| C07 | N06 | C24 | H5 | 0.4° | 0.1° |
| N06 | C07 | H6 | H7 | 119.2° | 120.0° |
| N06 | C07 | C08 | H8 | 25.3° | 54.0° |
| O15 | P13 | O14 | O16 | 119.7° | 120.0° |
| O15 | P13 | O14 | C11 | 120.1° | 120.0° |
| O15 | P13 | O16 | C11 | 119.8° | 120.0° |
| O15 | P13 | C11 | C10 | 99.3° | 54.9° |
| O15 | P13 | C11 | O12 | 21.4° | 65.1° |
| O15 | P13 | C11 | H9 | 142.1° | 174.9° |
| O15 | P13 | O14 | H16 | 0.0° | 60.0° |
| O15 | P13 | O16 | H17 | 0.0° | 180.0° |
| O14 | P13 | O16 | C11 | 120.2° | 120.0° |
| O14 | P13 | C11 | C10 | 20.8° | 174.8° |
| O14 | P13 | C11 | O12 | 141.5° | 54.9° |
| O14 | P13 | C11 | H9 | 97.7° | 65.1° |
| O14 | P13 | O16 | H17 | 120.0° | 60.0° |
| O16 | P13 | C11 | C10 | 141.3° | 65.1° |
| O16 | P13 | C11 | O12 | 98.1° | 174.9° |
| O16 | P13 | C11 | H9 | 22.7° | 54.9° |
| O16 | P13 | O14 | H16 | 119.7° | 60.0° |
| P13 | C11 | C10 | O12 | 120.5° | 120.0° |
| P13 | C11 | C10 | H9 | 116.2° | 120.0° |
| P13 | C11 | C10 | O09 | 151.7° | 56.2° |
| P13 | C11 | O12 | H9 | 117.4° | 120.0° |
| P13 | C11 | C10 | H1 | 31.9° | 176.2° |
| P13 | C11 | C10 | H2 | 88.6° | 63.9° |
| P13 | C11 | O12 | H15 | 11.0° | 60.0° |
| C11 | P13 | O14 | H16 | 120.1° | 180.0° |
| C11 | P13 | O16 | H17 | 119.8° | 60.0° |
| C07 | C08 | O09 | C10 | 65.2° | 91.5° |
| C07 | C08 | O09 | C17 | 118.1° | 120.0° |
| C07 | C08 | O09 | H8 | 120.8° | 120.0° |
| C07 | C08 | C17 | H8 | 120.0° | 120.0° |
| C07 | C08 | C17 | O18 | 148.5° | 175.0° |
| C07 | C08 | C17 | H3 | 28.6° | 55.0° |
| C07 | C08 | C17 | H4 | 91.7° | 65.0° |
| C08 | C07 | H6 | H7 | 119.1° | 120.0° |
| C11 | C10 | O09 | H1 | 119.8° | 120.0° |
| C11 | C10 | O09 | H2 | 119.8° | 120.0° |
| C11 | C10 | O09 | C08 | 156.4° | 177.8° |
| C10 | C11 | O12 | H9 | 122.1° | 120.0° |
| C11 | C10 | H1 | H2 | 120.6° | 119.9° |
| C10 | C11 | O12 | H15 | 109.5° | 60.0° |
| C10 | O09 | C08 | C17 | 176.7° | 28.5° |
| O09 | C10 | C11 | O12 | 87.8° | 63.8° |
| O09 | C10 | H1 | H2 | 120.6° | 120.0° |
| C10 | O09 | C08 | H8 | 55.6° | 148.5° |
| O09 | C10 | C11 | H9 | 35.4° | 176.2° |
| O09 | C08 | C17 | H8 | 122.2° | 120.0° |
| O09 | C08 | C17 | O18 | 93.7° | 65.0° |
| C08 | O09 | C10 | H1 | 83.8° | 62.2° |
| C08 | O09 | C10 | H2 | 36.6° | 57.8° |
| O09 | C08 | C17 | H3 | 146.4° | 175.0° |
| O09 | C08 | C17 | H4 | 26.2° | 55.0° |
| O09 | C08 | C07 | H6 | 92.4° | 54.0° |
| O09 | C08 | C07 | H7 | 27.0° | 174.0° |
| C08 | C17 | O18 | C19 | 108.2° | 180.0° |
| C08 | C17 | O18 | H3 | 119.8° | 120.0° |
| C08 | C17 | O18 | H4 | 119.9° | 119.9° |
| C08 | C17 | H3 | H4 | 120.4° | 120.0° |
| C17 | C08 | C07 | H6 | 25.6° | 66.0° |
| C17 | C08 | C07 | H7 | 145.0° | 54.0° |
| O12 | C11 | C10 | H1 | 152.4° | 56.2° |
| O12 | C11 | C10 | H2 | 32.0° | 176.1° |
| O18 | C19 | P20 | H10 | 119.7° | 120.0° |
| O18 | C19 | P20 | H11 | 119.7° | 119.9° |
| O18 | C19 | P20 | O21 | 143.4° | 60.0° |
| O18 | C19 | P20 | O23 | 96.4° | 180.0° |
| O18 | C19 | P20 | O22 | 23.4° | 60.0° |
| C19 | O18 | C17 | H3 | 11.6° | 60.0° |
| C19 | O18 | C17 | H4 | 131.9° | 60.1° |
| O18 | C19 | H10 | H11 | 121.0° | 120.0° |
| P20 | C19 | O18 | C17 | 95.2° | 75.0° |
| C19 | P20 | O21 | O23 | 120.0° | 120.0° |
| C19 | P20 | O21 | O22 | 120.1° | 120.0° |
| C19 | P20 | O23 | O22 | 119.9° | 120.0° |
| P20 | C19 | H10 | H11 | 120.9° | 120.0° |
| C19 | P20 | O22 | H18 | 120.0° | 60.0° |
| C19 | P20 | O23 | H19 | 120.1° | 180.0° |
| O18 | C17 | H3 | H4 | 120.5° | 120.0° |
| O18 | C17 | C08 | H8 | 28.5° | 55.0° |
| C17 | O18 | C19 | H10 | 145.1° | 165.0° |
| C17 | O18 | C19 | H11 | 24.4° | 44.9° |
| O21 | P20 | O23 | O22 | 120.0° | 120.0° |
| O21 | P20 | C19 | H10 | 23.7° | 180.0° |
| O21 | P20 | C19 | H11 | 96.9° | 59.9° |
| O21 | P20 | O22 | H18 | 0.0° | 180.0° |
| O21 | P20 | O23 | H19 | 0.0° | 60.0° |
| O23 | P20 | C19 | H10 | 143.9° | 60.0° |
| O23 | P20 | C19 | H11 | 23.3° | 60.0° |
| O23 | P20 | O22 | H18 | 120.1° | 60.0° |
| O22 | P20 | C19 | H10 | 96.3° | 60.0° |
| O22 | P20 | C19 | H11 | 143.1° | 179.9° |
| O22 | P20 | O23 | H19 | 120.0° | 60.0° |
| H1 | C10 | C11 | H9 | 84.4° | 63.8° |
| H2 | C10 | C11 | H9 | 155.2° | 56.1° |
| H3 | C17 | C08 | H8 | 91.4° | 65.0° |
| H4 | C17 | C08 | H8 | 148.3° | 175.0° |
| H6 | C07 | C08 | H8 | 145.6° | 174.0° |
| H7 | C07 | C08 | H8 | 95.0° | 66.0° |
| H9 | C11 | O12 | H15 | 128.4° | 180.0° |
