Q0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | doub | 1.21Å | 1.19Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C17 | C19 | sing | 1.47Å | 1.53Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C19 | C24 | doub | 1.41Å | 1.39Å | Aromatic |
| O11 | P08 | doub | 1.48Å | 1.51Å | |
| O28 | C26 | doub | 1.21Å | 1.27Å | |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | N03 | doub | 1.32Å | 1.32Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C06 | C05 | sing | 1.51Å | 1.52Å | |
| C06 | O07 | sing | 1.43Å | 1.38Å | |
| N03 | C02 | sing | 1.32Å | 1.32Å | Aromatic |
| C05 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C26 | O27 | sing | 1.34Å | 1.25Å | |
| C26 | C15 | sing | 1.51Å | 1.53Å | |
| C02 | C01 | sing | 1.51Å | 1.53Å | |
| C02 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N25 | sing | 1.39Å | 1.46Å | |
| N14 | C15 | sing | 1.47Å | 1.46Å | |
| N14 | C13 | doub | 1.29Å | 1.27Å | |
| C12 | C29 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.54Å | |
| C29 | O30 | sing | 1.36Å | 1.41Å | |
| P08 | O07 | sing | 1.61Å | 1.62Å | |
| P08 | O10 | sing | 1.61Å | 1.51Å | |
| P08 | O09 | sing | 1.61Å | 1.50Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.08Å | 1.08Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| N25 | H15 | sing | 0.97Å | 1.00Å | |
| N25 | H16 | sing | 0.97Å | 1.00Å | |
| O09 | H17 | sing | 0.97Å | 0.95Å | |
| O10 | H18 | sing | 0.97Å | 0.95Å | |
| O27 | H19 | sing | 0.97Å | 0.95Å | |
| O30 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | C19 | 121.0° | 120.0° |
| O18 | C17 | C16 | 118.9° | 120.0° |
| C21 | C20 | C19 | 120.9° | 119.9° |
| C20 | C21 | C22 | 119.5° | 120.4° |
| C20 | C21 | H2 | 120.2° | 119.8° |
| C21 | C20 | H3 | 119.6° | 120.1° |
| C20 | C19 | C17 | 119.3° | 120.2° |
| C20 | C19 | C24 | 119.3° | 119.5° |
| C19 | C20 | H3 | 119.5° | 120.1° |
| C21 | C22 | C23 | 119.9° | 120.5° |
| C22 | C21 | H2 | 120.2° | 119.9° |
| C21 | C22 | H7 | 120.0° | 119.7° |
| C19 | C17 | C16 | 120.0° | 120.0° |
| C17 | C19 | C24 | 121.4° | 120.3° |
| C17 | C16 | C15 | 114.0° | 109.5° |
| C17 | C16 | H4 | 108.3° | 109.4° |
| C17 | C16 | H5 | 108.3° | 109.5° |
| C19 | C24 | C23 | 119.7° | 119.7° |
| C19 | C24 | N25 | 120.9° | 120.2° |
| O11 | P08 | O07 | 110.1° | 109.5° |
| O11 | P08 | O10 | 113.9° | 109.5° |
| O11 | P08 | O09 | 108.9° | 109.5° |
| O28 | C26 | O27 | 119.7° | 119.9° |
| O28 | C26 | C15 | 122.6° | 120.1° |
| C22 | C23 | C24 | 120.6° | 120.1° |
| C23 | C22 | H7 | 120.1° | 119.8° |
| C22 | C23 | H8 | 119.7° | 119.9° |
| N03 | C04 | C05 | 118.7° | 121.1° |
| C04 | N03 | C02 | 122.2° | 122.1° |
| N03 | C04 | H12 | 120.6° | 119.4° |
| C04 | C05 | C06 | 119.1° | 120.5° |
| C04 | C05 | C12 | 121.0° | 119.1° |
| C05 | C04 | H12 | 120.6° | 119.5° |
| C05 | C06 | O07 | 105.8° | 109.5° |
| C06 | C05 | C12 | 119.8° | 120.4° |
| C05 | C06 | H13 | 110.4° | 109.5° |
| C05 | C06 | H14 | 110.4° | 109.5° |
| C06 | O07 | P08 | 117.1° | 123.0° |
| O07 | C06 | H13 | 110.4° | 109.5° |
| O07 | C06 | H14 | 110.4° | 109.5° |
| N03 | C02 | C01 | 120.5° | 119.6° |
| N03 | C02 | C29 | 121.8° | 120.8° |
| C05 | C12 | C29 | 117.8° | 118.0° |
| C05 | C12 | C13 | 123.0° | 121.0° |
| C16 | C15 | C26 | 115.4° | 109.5° |
| C16 | C15 | N14 | 105.8° | 109.4° |
| C15 | C16 | H4 | 108.4° | 109.5° |
| C15 | C16 | H5 | 108.3° | 109.5° |
| C16 | C15 | H6 | 108.0° | 109.5° |
| O27 | C26 | C15 | 117.7° | 120.0° |
| C26 | O27 | H19 | 109.5° | 117.0° |
| C26 | C15 | N14 | 110.9° | 109.5° |
| C26 | C15 | H6 | 107.9° | 109.5° |
| C01 | C02 | C29 | 117.7° | 119.6° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.5° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C29 | C12 | 118.4° | 118.9° |
| C02 | C29 | O30 | 120.9° | 120.5° |
| C23 | C24 | N25 | 119.3° | 120.2° |
| C24 | C23 | H8 | 119.7° | 120.0° |
| C24 | N25 | H15 | 109.5° | 120.0° |
| C24 | N25 | H16 | 109.4° | 120.0° |
| C15 | N14 | C13 | 122.9° | 120.0° |
| N14 | C15 | H6 | 108.7° | 109.5° |
| N14 | C13 | C12 | 117.5° | 120.0° |
| N14 | C13 | H1 | 121.2° | 120.0° |
| C29 | C12 | C13 | 119.2° | 121.0° |
| C12 | C29 | O30 | 120.7° | 120.6° |
| C12 | C13 | H1 | 121.2° | 120.0° |
| C29 | O30 | H20 | 109.5° | 114.0° |
| O07 | P08 | O10 | 103.0° | 109.4° |
| O07 | P08 | O09 | 109.4° | 109.5° |
| O10 | P08 | O09 | 111.4° | 109.4° |
| P08 | O10 | H18 | 109.5° | 114.0° |
| P08 | O09 | H17 | 109.5° | 114.0° |
| H4 | C16 | H5 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.4° |
| H9 | C01 | H11 | 109.4° | 109.4° |
| H10 | C01 | H11 | 109.5° | 109.4° |
| H13 | C06 | H14 | 109.5° | 109.4° |
| H15 | N25 | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | C19 | C20 | 44.4° | 174.3° |
| O18 | C17 | C19 | C16 | 177.6° | 180.0° |
| O18 | C17 | C19 | C24 | 137.1° | 5.7° |
| O18 | C17 | C16 | C15 | 63.3° | 0.0° |
| O18 | C17 | C16 | H4 | 57.4° | 120.0° |
| O18 | C17 | C16 | H5 | 176.0° | 120.0° |
| C21 | C20 | C19 | H3 | 180.0° | 180.0° |
| C20 | C21 | C22 | H2 | 180.0° | 179.6° |
| C21 | C20 | C19 | C17 | 179.5° | 180.0° |
| C21 | C20 | C19 | C24 | 1.0° | 0.0° |
| C20 | C21 | C22 | C23 | 0.3° | 0.3° |
| C20 | C21 | C22 | H7 | 179.7° | 179.7° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C20 | C19 | C17 | C24 | 178.5° | 180.0° |
| C20 | C19 | C17 | C16 | 133.2° | 5.7° |
| C20 | C19 | C24 | C23 | 1.6° | 0.2° |
| C20 | C19 | C24 | N25 | 179.2° | 180.0° |
| C19 | C20 | C21 | H2 | 180.0° | 179.7° |
| C21 | C22 | C23 | H7 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.5° |
| C22 | C21 | C20 | H3 | 180.0° | 180.0° |
| C21 | C22 | C23 | H8 | 179.7° | 180.0° |
| C19 | C17 | C16 | C15 | 119.0° | 180.0° |
| C17 | C19 | C24 | C23 | 179.8° | 179.8° |
| C17 | C19 | C24 | N25 | 2.3° | 0.0° |
| C17 | C19 | C20 | H3 | 0.5° | 0.0° |
| C19 | C17 | C16 | H4 | 120.3° | 60.0° |
| C19 | C17 | C16 | H5 | 1.6° | 60.0° |
| C16 | C17 | C19 | C24 | 45.3° | 174.3° |
| C17 | C16 | C15 | H4 | 120.7° | 119.9° |
| C17 | C16 | C15 | H5 | 120.6° | 120.0° |
| C17 | C16 | C15 | C26 | 7.6° | 175.0° |
| C17 | C16 | C15 | N14 | 115.4° | 65.0° |
| C17 | C16 | H4 | H5 | 117.9° | 120.0° |
| C17 | C16 | C15 | H6 | 128.3° | 55.0° |
| C19 | C24 | C23 | C22 | 1.3° | 0.4° |
| C19 | C24 | C23 | N25 | 177.6° | 179.8° |
| C24 | C19 | C20 | H3 | 179.0° | 180.0° |
| C19 | C24 | C23 | H8 | 178.7° | 180.0° |
| C19 | C24 | N25 | H15 | 180.0° | 5.5° |
| C19 | C24 | N25 | H16 | 60.0° | 174.6° |
| O11 | P08 | O07 | C06 | 14.6° | 55.0° |
| O11 | P08 | O07 | O10 | 121.8° | 120.0° |
| O11 | P08 | O07 | O09 | 119.6° | 120.0° |
| O11 | P08 | O10 | O09 | 123.7° | 120.0° |
| O11 | P08 | O09 | H17 | 0.0° | 60.0° |
| O11 | P08 | O10 | H18 | 0.0° | 180.0° |
| O28 | C26 | C15 | C16 | 104.6° | 120.0° |
| O28 | C26 | O27 | C15 | 178.4° | 180.0° |
| O28 | C26 | C15 | N14 | 15.6° | 0.0° |
| O28 | C26 | C15 | H6 | 134.6° | 120.0° |
| O28 | C26 | O27 | H19 | 0.0° | 0.0° |
| C22 | C23 | C24 | H8 | 180.0° | 179.6° |
| C22 | C23 | C24 | N25 | 178.9° | 179.8° |
| C23 | C22 | C21 | H2 | 179.7° | 179.9° |
| N03 | C04 | C05 | H12 | 180.0° | 179.1° |
| N03 | C04 | C05 | C06 | 179.7° | 179.4° |
| N03 | C04 | C05 | C12 | 2.0° | 0.5° |
| C04 | N03 | C02 | C01 | 179.5° | 179.4° |
| C04 | N03 | C02 | C29 | 0.8° | 0.5° |
| C04 | C05 | C06 | C12 | 178.3° | 180.0° |
| C04 | C05 | C06 | O07 | 86.7° | 0.0° |
| C05 | C04 | N03 | C02 | 0.7° | 0.8° |
| C04 | C05 | C12 | C29 | 1.7° | 0.0° |
| C04 | C05 | C12 | C13 | 179.9° | 179.7° |
| C04 | C05 | C06 | H13 | 32.7° | 120.0° |
| C04 | C05 | C06 | H14 | 153.9° | 120.0° |
| C05 | C06 | O07 | H13 | 119.4° | 120.0° |
| C05 | C06 | O07 | H14 | 119.4° | 120.0° |
| C06 | C05 | C12 | C29 | 180.0° | 180.0° |
| C06 | C05 | C12 | C13 | 1.6° | 0.3° |
| C05 | C06 | O07 | P08 | 148.5° | 180.0° |
| C06 | C05 | C04 | H12 | 0.3° | 0.3° |
| C05 | C06 | H13 | H14 | 121.7° | 120.0° |
| O07 | C06 | C05 | C12 | 91.6° | 180.0° |
| C06 | O07 | P08 | O10 | 107.2° | 65.1° |
| C06 | O07 | P08 | O09 | 134.2° | 175.0° |
| O07 | C06 | H13 | H14 | 121.7° | 120.0° |
| N03 | C02 | C01 | C29 | 179.7° | 179.9° |
| N03 | C02 | C29 | C12 | 1.1° | 0.1° |
| N03 | C02 | C29 | O30 | 179.7° | 179.9° |
| N03 | C02 | C01 | H9 | 0.0° | 90.1° |
| N03 | C02 | C01 | H10 | 120.0° | 29.9° |
| N03 | C02 | C01 | H11 | 120.0° | 149.9° |
| C02 | N03 | C04 | H12 | 179.3° | 179.9° |
| C05 | C12 | C29 | C02 | 0.2° | 0.3° |
| C05 | C12 | C13 | N14 | 133.0° | 179.4° |
| C05 | C12 | C29 | C13 | 178.5° | 179.7° |
| C05 | C12 | C29 | O30 | 178.4° | 179.7° |
| C05 | C12 | C13 | H1 | 47.0° | 0.3° |
| C12 | C05 | C04 | H12 | 178.0° | 179.6° |
| C12 | C05 | C06 | H13 | 148.9° | 60.0° |
| C12 | C05 | C06 | H14 | 27.8° | 60.0° |
| C16 | C15 | C26 | O27 | 73.8° | 60.0° |
| C16 | C15 | C26 | N14 | 120.3° | 120.0° |
| C16 | C15 | C26 | H6 | 120.8° | 120.0° |
| C16 | C15 | N14 | H6 | 115.7° | 120.0° |
| C16 | C15 | N14 | C13 | 56.4° | 120.0° |
| C15 | C16 | H4 | H5 | 118.0° | 120.0° |
| O27 | C26 | C15 | N14 | 166.0° | 180.0° |
| O27 | C26 | C15 | H6 | 47.0° | 60.0° |
| C26 | C15 | N14 | H6 | 118.4° | 120.0° |
| C26 | C15 | N14 | C13 | 177.7° | 120.0° |
| C26 | C15 | C16 | H4 | 128.2° | 55.1° |
| C26 | C15 | C16 | H5 | 113.1° | 65.0° |
| C15 | C26 | O27 | H19 | 178.4° | 180.0° |
| C01 | C02 | C29 | C12 | 179.2° | 180.0° |
| C01 | C02 | C29 | O30 | 0.6° | 0.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.1° |
| C02 | C01 | H9 | H11 | 120.0° | 120.1° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C29 | C12 | O30 | 178.6° | 180.0° |
| C02 | C29 | C12 | C13 | 178.7° | 180.0° |
| C29 | C02 | C01 | H9 | 179.7° | 90.0° |
| C29 | C02 | C01 | H10 | 59.7° | 150.0° |
| C29 | C02 | C01 | H11 | 60.3° | 30.0° |
| C02 | C29 | O30 | H20 | 180.0° | 90.1° |
| C24 | C23 | C22 | H7 | 179.6° | 179.5° |
| C23 | C24 | N25 | H15 | 2.4° | 174.7° |
| C23 | C24 | N25 | H16 | 117.6° | 5.2° |
| N25 | C24 | C23 | H8 | 1.1° | 0.2° |
| C24 | N25 | H15 | H16 | 120.0° | 179.9° |
| C15 | N14 | C13 | C12 | 179.9° | 179.7° |
| C15 | N14 | C13 | H1 | 0.1° | 0.0° |
| N14 | C15 | C16 | H4 | 5.3° | 175.1° |
| N14 | C15 | C16 | H5 | 123.9° | 55.0° |
| N14 | C13 | C12 | C29 | 45.4° | 0.3° |
| N14 | C13 | C12 | H1 | 180.0° | 179.7° |
| C13 | N14 | C15 | H6 | 59.3° | 0.0° |
| C29 | C12 | C13 | H1 | 134.6° | 180.0° |
| C12 | C29 | O30 | H20 | 1.4° | 90.0° |
| C13 | C12 | C29 | O30 | 0.1° | 0.1° |
| O07 | P08 | O10 | O09 | 117.2° | 119.9° |
| P08 | O07 | C06 | H13 | 29.1° | 60.0° |
| P08 | O07 | C06 | H14 | 92.1° | 59.9° |
| O07 | P08 | O09 | H17 | 120.4° | 180.0° |
| O07 | P08 | O10 | H18 | 119.1° | 60.0° |
| O10 | P08 | O09 | H17 | 126.4° | 60.0° |
| O09 | P08 | O10 | H18 | 123.7° | 60.0° |
| H2 | C21 | C20 | H3 | 0.0° | 0.3° |
| H2 | C21 | C22 | H7 | 0.3° | 0.0° |
| H4 | C16 | C15 | H6 | 111.0° | 65.0° |
| H5 | C16 | C15 | H6 | 7.7° | 175.0° |
| H7 | C22 | C23 | H8 | 0.4° | 0.1° |
| H9 | C01 | H10 | H11 | 120.0° | 119.9° |
