7QP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | C03 | doub | 1.21Å | 1.27Å | |
| O05 | C03 | sing | 1.34Å | 1.27Å | |
| C03 | C02 | sing | 1.51Å | 1.53Å | |
| C02 | C11 | sing | 1.53Å | 1.56Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.54Å | |
| C01 | C06 | sing | 1.53Å | 1.51Å | |
| O42 | P41 | doub | 1.48Å | 1.51Å | |
| C08 | C10 | sing | 1.53Å | 1.50Å | |
| C08 | C06 | sing | 1.53Å | 1.50Å | |
| C08 | C21 | sing | 1.53Å | 1.54Å | |
| O43 | P41 | sing | 1.61Å | 1.52Å | |
| C06 | N07 | sing | 1.47Å | 1.32Å | |
| P41 | O44 | sing | 1.61Å | 1.52Å | |
| P41 | O40 | sing | 1.61Å | 1.67Å | |
| N07 | C09 | sing | 1.47Å | 1.49Å | |
| C09 | C17 | sing | 1.51Å | 1.57Å | |
| O40 | C18 | sing | 1.43Å | 1.41Å | |
| C18 | C16 | sing | 1.51Å | 1.54Å | |
| C17 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | O19 | sing | 1.36Å | 1.40Å | |
| C12 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | N14 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N14 | sing | 1.32Å | 1.32Å | Aromatic |
| C13 | C20 | sing | 1.51Å | 1.52Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| O43 | H12 | sing | 0.97Å | 0.95Å | |
| O44 | H13 | sing | 0.97Å | 0.95Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| N07 | H23 | sing | 1.01Å | 1.00Å | |
| O05 | H25 | sing | 0.97Å | 0.95Å | |
| O19 | H26 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | C03 | O05 | 123.9° | 120.0° |
| O04 | C03 | C02 | 119.9° | 120.0° |
| O05 | C03 | C02 | 116.2° | 120.0° |
| C03 | O05 | H25 | 109.5° | 117.0° |
| C03 | C02 | C11 | 118.9° | 109.5° |
| C03 | C02 | C01 | 110.2° | 109.4° |
| C03 | C02 | H7 | 101.7° | 109.4° |
| C11 | C02 | C01 | 118.9° | 109.5° |
| C02 | C11 | C10 | 112.0° | 109.4° |
| C02 | C11 | H3 | 108.8° | 109.5° |
| C02 | C11 | H4 | 108.8° | 109.5° |
| C11 | C02 | H7 | 101.5° | 109.5° |
| C02 | C01 | C06 | 116.0° | 109.4° |
| C02 | C01 | H5 | 107.8° | 109.5° |
| C02 | C01 | H6 | 107.8° | 109.5° |
| C01 | C02 | H7 | 101.8° | 109.5° |
| C11 | C10 | C08 | 104.5° | 109.5° |
| C10 | C11 | H3 | 108.8° | 109.4° |
| C10 | C11 | H4 | 108.8° | 109.4° |
| C11 | C10 | H14 | 110.7° | 109.5° |
| C11 | C10 | H15 | 110.7° | 109.5° |
| C01 | C06 | C08 | 105.6° | 109.5° |
| C01 | C06 | N07 | 119.8° | 109.5° |
| C06 | C01 | H5 | 107.8° | 109.5° |
| C06 | C01 | H6 | 107.8° | 109.4° |
| C01 | C06 | H8 | 102.2° | 109.4° |
| O42 | P41 | O43 | 107.8° | 109.5° |
| O42 | P41 | O44 | 111.5° | 109.4° |
| O42 | P41 | O40 | 110.2° | 109.5° |
| C10 | C08 | C06 | 104.8° | 109.5° |
| C10 | C08 | C21 | 118.3° | 109.5° |
| C10 | C08 | H9 | 109.0° | 109.5° |
| C08 | C10 | H14 | 110.7° | 109.4° |
| C08 | C10 | H15 | 110.7° | 109.5° |
| C06 | C08 | C21 | 107.0° | 109.5° |
| C08 | C06 | N07 | 120.0° | 109.4° |
| C08 | C06 | H8 | 102.3° | 109.5° |
| C06 | C08 | H9 | 108.9° | 109.4° |
| C21 | C08 | H9 | 108.4° | 109.5° |
| C08 | C21 | H20 | 109.5° | 109.5° |
| C08 | C21 | H21 | 109.5° | 109.5° |
| C08 | C21 | H22 | 109.5° | 109.5° |
| O43 | P41 | O44 | 112.9° | 109.5° |
| O43 | P41 | O40 | 110.3° | 109.5° |
| P41 | O43 | H12 | 109.5° | 114.0° |
| C06 | N07 | C09 | 107.7° | 111.0° |
| N07 | C06 | H8 | 104.0° | 109.5° |
| C06 | N07 | H23 | 109.9° | 111.0° |
| O44 | P41 | O40 | 104.2° | 109.5° |
| P41 | O44 | H13 | 109.5° | 114.0° |
| P41 | O40 | C18 | 120.8° | 123.0° |
| N07 | C09 | C17 | 129.0° | 109.5° |
| N07 | C09 | H10 | 104.4° | 109.5° |
| N07 | C09 | H11 | 104.4° | 109.5° |
| C09 | N07 | H23 | 109.9° | 111.0° |
| C09 | C17 | C16 | 112.4° | 120.8° |
| C09 | C17 | C12 | 129.5° | 120.8° |
| C17 | C09 | H10 | 104.4° | 109.5° |
| C17 | C09 | H11 | 104.4° | 109.4° |
| O40 | C18 | C16 | 109.1° | 109.5° |
| O40 | C18 | H1 | 109.6° | 109.5° |
| O40 | C18 | H2 | 109.5° | 109.5° |
| C18 | C16 | C17 | 119.4° | 120.4° |
| C18 | C16 | C15 | 121.0° | 120.4° |
| C16 | C18 | H1 | 109.6° | 109.5° |
| C16 | C18 | H2 | 109.6° | 109.4° |
| C16 | C17 | C12 | 118.1° | 118.3° |
| C17 | C16 | C15 | 119.5° | 119.2° |
| C17 | C12 | O19 | 121.3° | 120.4° |
| C17 | C12 | C13 | 119.2° | 119.1° |
| C16 | C15 | N14 | 120.5° | 120.9° |
| C16 | C15 | H16 | 119.8° | 119.5° |
| O19 | C12 | C13 | 119.5° | 120.5° |
| C12 | O19 | H26 | 109.5° | 114.0° |
| C12 | C13 | N14 | 120.3° | 120.7° |
| C12 | C13 | C20 | 120.7° | 119.6° |
| C15 | N14 | C13 | 122.4° | 121.8° |
| N14 | C15 | H16 | 119.7° | 119.6° |
| N14 | C13 | C20 | 119.0° | 119.7° |
| C13 | C20 | H17 | 109.5° | 109.5° |
| C13 | C20 | H18 | 109.5° | 109.5° |
| C13 | C20 | H19 | 109.5° | 109.4° |
| H1 | C18 | H2 | 109.5° | 109.4° |
| H3 | C11 | H4 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.6° |
| H10 | C09 | H11 | 109.4° | 109.5° |
| H14 | C10 | H15 | 109.5° | 109.5° |
| H17 | C20 | H18 | 109.5° | 109.5° |
| H17 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H20 | C21 | H22 | 109.5° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | C03 | O05 | C02 | 179.0° | 179.9° |
| O04 | C03 | C02 | C11 | 14.7° | 119.9° |
| O04 | C03 | C02 | C01 | 157.0° | 0.1° |
| O04 | C03 | C02 | H7 | 95.6° | 120.0° |
| O04 | C03 | O05 | H25 | 0.0° | 0.1° |
| O05 | C03 | C02 | C11 | 166.3° | 60.0° |
| O05 | C03 | C02 | C01 | 24.0° | 180.0° |
| O05 | C03 | C02 | H7 | 83.4° | 60.1° |
| C03 | C02 | C11 | C01 | 139.0° | 119.9° |
| C03 | C02 | C11 | H7 | 110.4° | 120.0° |
| C03 | C02 | C01 | H7 | 107.4° | 119.9° |
| C03 | C02 | C11 | C10 | 126.5° | 180.0° |
| C03 | C02 | C01 | C06 | 122.9° | 180.0° |
| C03 | C02 | C11 | H3 | 6.2° | 60.0° |
| C03 | C02 | C11 | H4 | 113.1° | 60.0° |
| C03 | C02 | C01 | H5 | 116.1° | 60.0° |
| C03 | C02 | C01 | H6 | 1.9° | 60.1° |
| C02 | C03 | O05 | H25 | 179.0° | 180.0° |
| C11 | C02 | C01 | H7 | 110.4° | 120.1° |
| C02 | C11 | C10 | H3 | 120.4° | 120.0° |
| C02 | C11 | C10 | H4 | 120.4° | 120.0° |
| C11 | C02 | C01 | C06 | 19.4° | 60.1° |
| C02 | C11 | C10 | C08 | 35.0° | 60.0° |
| C02 | C11 | H3 | H4 | 118.8° | 120.1° |
| C11 | C02 | C01 | H5 | 101.6° | 180.0° |
| C11 | C02 | C01 | H6 | 140.4° | 59.9° |
| C02 | C11 | C10 | H14 | 154.2° | 180.0° |
| C02 | C11 | C10 | H15 | 84.2° | 60.0° |
| C01 | C02 | C11 | C10 | 12.5° | 60.1° |
| C02 | C01 | C06 | H5 | 121.0° | 119.9° |
| C02 | C01 | C06 | H6 | 121.0° | 120.0° |
| C02 | C01 | C06 | C08 | 22.6° | 60.0° |
| C02 | C01 | C06 | N07 | 116.6° | 60.0° |
| C01 | C02 | C11 | H3 | 132.9° | 59.9° |
| C01 | C02 | C11 | H4 | 107.9° | 180.0° |
| C02 | C01 | H5 | H6 | 117.0° | 120.1° |
| C02 | C01 | C06 | H8 | 129.2° | 180.0° |
| C11 | C10 | C08 | H14 | 119.2° | 120.0° |
| C11 | C10 | C08 | H15 | 119.2° | 120.0° |
| C11 | C10 | C08 | C06 | 82.5° | 60.0° |
| C11 | C10 | C08 | C21 | 158.4° | 180.0° |
| C10 | C11 | H3 | H4 | 118.8° | 119.9° |
| C10 | C11 | C02 | H7 | 123.0° | 60.0° |
| C11 | C10 | C08 | H9 | 33.9° | 60.0° |
| C11 | C10 | H14 | H15 | 122.3° | 120.1° |
| C01 | C06 | C08 | C10 | 75.1° | 60.0° |
| C01 | C06 | C08 | N07 | 139.1° | 120.0° |
| C01 | C06 | C08 | H8 | 106.6° | 120.0° |
| C01 | C06 | C08 | C21 | 158.5° | 180.0° |
| C01 | C06 | N07 | H8 | 113.2° | 120.0° |
| C01 | C06 | N07 | C09 | 106.1° | 85.0° |
| C06 | C01 | H5 | H6 | 117.0° | 120.0° |
| C06 | C01 | C02 | H7 | 129.8° | 60.1° |
| C01 | C06 | C08 | H9 | 41.4° | 60.0° |
| C01 | C06 | N07 | H23 | 134.2° | 151.1° |
| O42 | P41 | O43 | O44 | 123.6° | 120.0° |
| O42 | P41 | O43 | O40 | 120.4° | 120.0° |
| O42 | P41 | O44 | O40 | 118.8° | 120.0° |
| O42 | P41 | O40 | C18 | 76.9° | 55.0° |
| O42 | P41 | O43 | H12 | 0.0° | 60.0° |
| O42 | P41 | O44 | H13 | 0.0° | 180.0° |
| C10 | C08 | C06 | C21 | 126.4° | 120.0° |
| C10 | C08 | C06 | H9 | 116.5° | 120.0° |
| C10 | C08 | C21 | H9 | 124.8° | 120.0° |
| C10 | C08 | C06 | N07 | 64.0° | 60.0° |
| C08 | C10 | C11 | H3 | 85.3° | 60.0° |
| C08 | C10 | C11 | H4 | 155.4° | 180.0° |
| C10 | C08 | C06 | H8 | 178.3° | 180.0° |
| C08 | C10 | H14 | H15 | 122.3° | 120.0° |
| C10 | C08 | C21 | H20 | 180.0° | 60.0° |
| C10 | C08 | C21 | H21 | 60.0° | 179.9° |
| C10 | C08 | C21 | H22 | 60.0° | 60.0° |
| C06 | C08 | C21 | H9 | 117.3° | 120.0° |
| C08 | C06 | N07 | H8 | 113.4° | 120.0° |
| C08 | C06 | N07 | C09 | 120.5° | 155.0° |
| C08 | C06 | C01 | H5 | 143.6° | 179.9° |
| C08 | C06 | C01 | H6 | 98.3° | 60.0° |
| C06 | C08 | C10 | H14 | 158.3° | 180.0° |
| C06 | C08 | C10 | H15 | 36.7° | 60.0° |
| C06 | C08 | C21 | H20 | 62.1° | 60.0° |
| C06 | C08 | C21 | H21 | 177.9° | 59.9° |
| C06 | C08 | C21 | H22 | 57.9° | 180.0° |
| C08 | C06 | N07 | H23 | 0.8° | 31.1° |
| C21 | C08 | C06 | N07 | 62.4° | 60.0° |
| C21 | C08 | C06 | H8 | 51.9° | 60.0° |
| C21 | C08 | C10 | H14 | 39.2° | 60.0° |
| C21 | C08 | C10 | H15 | 82.4° | 60.0° |
| C08 | C21 | H20 | H21 | 120.0° | 120.0° |
| C08 | C21 | H20 | H22 | 120.0° | 120.1° |
| C08 | C21 | H21 | H22 | 120.0° | 120.1° |
| O43 | P41 | O44 | O40 | 119.7° | 120.0° |
| O43 | P41 | O40 | C18 | 42.1° | 175.0° |
| O43 | P41 | O44 | H13 | 121.5° | 60.0° |
| C06 | N07 | C09 | H23 | 119.7° | 123.9° |
| C06 | N07 | C09 | C17 | 169.0° | 180.0° |
| N07 | C06 | C01 | H5 | 4.4° | 60.0° |
| N07 | C06 | C01 | H6 | 122.5° | 180.0° |
| N07 | C06 | C08 | H9 | 179.4° | 180.0° |
| C06 | N07 | C09 | H10 | 46.5° | 60.0° |
| C06 | N07 | C09 | H11 | 68.4° | 60.0° |
| O44 | P41 | O40 | C18 | 163.4° | 65.0° |
| O44 | P41 | O43 | H12 | 123.6° | 60.0° |
| P41 | O40 | C18 | C16 | 156.0° | 180.0° |
| P41 | O40 | C18 | H1 | 36.1° | 60.0° |
| P41 | O40 | C18 | H2 | 84.0° | 60.0° |
| O40 | P41 | O43 | H12 | 120.3° | 180.0° |
| O40 | P41 | O44 | H13 | 118.8° | 60.0° |
| N07 | C09 | C17 | H10 | 122.6° | 120.0° |
| N07 | C09 | C17 | H11 | 122.6° | 120.0° |
| N07 | C09 | C17 | C16 | 168.8° | 90.0° |
| N07 | C09 | C17 | C12 | 9.6° | 90.3° |
| C09 | N07 | C06 | H8 | 7.1° | 35.0° |
| N07 | C09 | H10 | H11 | 111.3° | 120.0° |
| C09 | C17 | C16 | C18 | 0.6° | 0.3° |
| C09 | C17 | C16 | C12 | 178.6° | 179.7° |
| C09 | C17 | C16 | C15 | 178.8° | 179.7° |
| C09 | C17 | C12 | O19 | 1.1° | 0.3° |
| C09 | C17 | C12 | C13 | 178.5° | 179.7° |
| C17 | C09 | H10 | H11 | 111.3° | 120.0° |
| C17 | C09 | N07 | H23 | 71.2° | 56.1° |
| O40 | C18 | C16 | H1 | 120.0° | 120.0° |
| O40 | C18 | C16 | H2 | 119.9° | 120.0° |
| O40 | C18 | C16 | C17 | 63.4° | 180.0° |
| O40 | C18 | C16 | C15 | 117.2° | 0.0° |
| O40 | C18 | H1 | H2 | 120.1° | 120.0° |
| C18 | C16 | C17 | C15 | 179.4° | 179.9° |
| C18 | C16 | C17 | C12 | 179.1° | 180.0° |
| C18 | C16 | C15 | N14 | 178.9° | 179.9° |
| C16 | C18 | H1 | H2 | 120.2° | 119.9° |
| C18 | C16 | C15 | H16 | 1.1° | 0.0° |
| C16 | C17 | C12 | O19 | 179.4° | 180.0° |
| C16 | C17 | C12 | C13 | 0.2° | 0.0° |
| C17 | C16 | C15 | N14 | 0.5° | 0.0° |
| C17 | C16 | C18 | H1 | 56.5° | 59.9° |
| C17 | C16 | C18 | H2 | 176.6° | 60.0° |
| C16 | C17 | C09 | H10 | 46.2° | 150.0° |
| C16 | C17 | C09 | H11 | 68.6° | 30.0° |
| C17 | C16 | C15 | H16 | 179.5° | 179.9° |
| C12 | C17 | C16 | C15 | 0.3° | 0.0° |
| C17 | C12 | O19 | C13 | 179.5° | 180.0° |
| C17 | C12 | C13 | N14 | 0.3° | 0.0° |
| C17 | C12 | C13 | C20 | 179.9° | 180.0° |
| C12 | C17 | C09 | H10 | 132.1° | 29.7° |
| C12 | C17 | C09 | H11 | 113.0° | 149.7° |
| C17 | C12 | O19 | H26 | 180.0° | 90.0° |
| C16 | C15 | N14 | H16 | 180.0° | 179.9° |
| C16 | C15 | N14 | C13 | 0.6° | 0.1° |
| C15 | C16 | C18 | H1 | 122.9° | 120.0° |
| C15 | C16 | C18 | H2 | 2.8° | 120.1° |
| O19 | C12 | C13 | N14 | 179.2° | 180.0° |
| O19 | C12 | C13 | C20 | 0.4° | 0.0° |
| C12 | C13 | N14 | C15 | 0.5° | 0.1° |
| C12 | C13 | N14 | C20 | 179.6° | 179.9° |
| C12 | C13 | C20 | H17 | 179.6° | 90.0° |
| C12 | C13 | C20 | H18 | 60.4° | 30.0° |
| C12 | C13 | C20 | H19 | 59.6° | 150.0° |
| C13 | C12 | O19 | H26 | 0.5° | 90.0° |
| C15 | N14 | C13 | C20 | 179.8° | 180.0° |
| C13 | N14 | C15 | H16 | 179.3° | 180.0° |
| N14 | C13 | C20 | H17 | 0.0° | 90.0° |
| N14 | C13 | C20 | H18 | 120.0° | 149.9° |
| N14 | C13 | C20 | H19 | 120.0° | 30.0° |
| C13 | C20 | H17 | H18 | 120.0° | 120.0° |
| C13 | C20 | H17 | H19 | 120.0° | 120.0° |
| C13 | C20 | H18 | H19 | 120.0° | 120.0° |
| H3 | C11 | C02 | H7 | 116.6° | 180.0° |
| H3 | C11 | C10 | H14 | 33.9° | 59.9° |
| H3 | C11 | C10 | H15 | 155.4° | 180.0° |
| H4 | C11 | C02 | H7 | 2.6° | 59.9° |
| H4 | C11 | C10 | H14 | 85.4° | 60.1° |
| H4 | C11 | C10 | H15 | 36.2° | 60.0° |
| H5 | C01 | C02 | H7 | 8.8° | 59.9° |
| H5 | C01 | C06 | H8 | 109.8° | 60.1° |
| H6 | C01 | C02 | H7 | 109.3° | 180.0° |
| H6 | C01 | C06 | H8 | 8.3° | 60.0° |
| H8 | C06 | C08 | H9 | 65.1° | 60.0° |
| H8 | C06 | N07 | H23 | 112.6° | 88.9° |
| H9 | C08 | C10 | H14 | 85.3° | 60.0° |
| H9 | C08 | C10 | H15 | 153.1° | 180.0° |
| H9 | C08 | C21 | H20 | 55.2° | 179.9° |
| H9 | C08 | C21 | H21 | 64.8° | 60.0° |
| H9 | C08 | C21 | H22 | 175.2° | 60.0° |
| H10 | C09 | N07 | H23 | 166.2° | 63.9° |
| H11 | C09 | N07 | H23 | 51.3° | 176.0° |
| H17 | C20 | H18 | H19 | 120.0° | 120.0° |
| H20 | C21 | H21 | H22 | 120.0° | 119.9° |
