A1JGA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | P18 | doub | 1.48Å | 1.52Å | |
| O25 | C26 | sing | 1.43Å | 1.39Å | |
| O25 | P22 | sing | 1.61Å | 1.65Å | |
| O23 | P22 | doub | 1.48Å | 1.53Å | |
| P18 | O20 | sing | 1.61Å | 1.42Å | |
| P18 | O21 | sing | 1.61Å | 1.63Å | |
| P18 | O17 | sing | 1.61Å | 1.63Å | |
| P22 | O21 | sing | 1.61Å | 1.63Å | |
| P22 | O24 | sing | 1.61Å | 1.50Å | |
| C09 | C08 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.36Å | 1.41Å | Aromatic |
| O30 | C29 | sing | 1.43Å | 1.40Å | |
| C08 | C07 | doub | 1.38Å | 1.42Å | Aromatic |
| O17 | C16 | sing | 1.43Å | 1.42Å | |
| C29 | C27 | sing | 1.55Å | 1.67Å | |
| C29 | C11 | sing | 1.54Å | 1.36Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N06 | sing | 1.35Å | 1.36Å | Aromatic |
| C27 | O28 | sing | 1.43Å | 1.45Å | |
| C27 | C15 | sing | 1.55Å | 1.34Å | |
| C07 | N06 | sing | 1.38Å | 1.34Å | Aromatic |
| C07 | C02 | sing | 1.41Å | 1.41Å | Aromatic |
| N01 | C02 | sing | 1.38Å | 1.46Å | |
| C11 | C12 | sing | 1.47Å | 1.53Å | |
| C11 | O14 | sing | 1.44Å | 1.57Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| N06 | N05 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | N03 | doub | 1.32Å | 1.34Å | Aromatic |
| C15 | O14 | sing | 1.44Å | 1.60Å | |
| C12 | N13 | trip | 1.14Å | 1.13Å | |
| N05 | C04 | doub | 1.30Å | 1.29Å | Aromatic |
| N03 | C04 | sing | 1.33Å | 1.36Å | Aromatic |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H3 | sing | 1.09Å | 1.10Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.08Å | 1.08Å | |
| C09 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| N01 | H12 | sing | 0.97Å | 1.00Å | |
| N01 | H13 | sing | 0.97Å | 1.00Å | |
| O20 | H14 | sing | 0.97Å | 0.95Å | |
| O24 | H15 | sing | 0.97Å | 0.95Å | |
| O28 | H16 | sing | 0.97Å | 0.95Å | |
| O30 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | P18 | O20 | 117.4° | 109.4° |
| O19 | P18 | O21 | 111.3° | 109.5° |
| O19 | P18 | O17 | 104.5° | 109.5° |
| C26 | O25 | P22 | 119.7° | 123.0° |
| O25 | C26 | H2 | 109.5° | 109.4° |
| O25 | C26 | H3 | 109.5° | 109.5° |
| O25 | C26 | H4 | 109.5° | 109.5° |
| O25 | P22 | O23 | 110.5° | 109.5° |
| O25 | P22 | O21 | 104.4° | 109.5° |
| O25 | P22 | O24 | 110.7° | 109.5° |
| O23 | P22 | O21 | 112.2° | 109.5° |
| O23 | P22 | O24 | 116.9° | 109.5° |
| O20 | P18 | O21 | 104.4° | 109.5° |
| O20 | P18 | O17 | 112.2° | 109.5° |
| P18 | O20 | H14 | 109.5° | 114.0° |
| O21 | P18 | O17 | 106.9° | 109.5° |
| P18 | O21 | P22 | 128.8° | 134.0° |
| P18 | O17 | C16 | 120.5° | 123.0° |
| O21 | P22 | O24 | 101.3° | 109.5° |
| P22 | O24 | H15 | 109.5° | 114.0° |
| C08 | C09 | C10 | 106.5° | 107.9° |
| C09 | C08 | C07 | 107.1° | 106.8° |
| C09 | C08 | H6 | 126.5° | 126.6° |
| C08 | C09 | H7 | 126.8° | 126.0° |
| C09 | C10 | C11 | 128.9° | 125.4° |
| C09 | C10 | N06 | 107.8° | 109.1° |
| C10 | C09 | H7 | 126.8° | 126.1° |
| O30 | C29 | C27 | 110.7° | 110.5° |
| O30 | C29 | C11 | 111.6° | 110.5° |
| O30 | C29 | H11 | 111.1° | 110.6° |
| C29 | O30 | H17 | 109.5° | 114.0° |
| C08 | C07 | N06 | 107.4° | 107.6° |
| C08 | C07 | C02 | 133.8° | 133.8° |
| C07 | C08 | H6 | 126.5° | 126.5° |
| O17 | C16 | C15 | 109.7° | 109.5° |
| O17 | C16 | H8 | 109.4° | 109.5° |
| O17 | C16 | H9 | 109.4° | 109.4° |
| C27 | C29 | C11 | 103.9° | 104.2° |
| C29 | C27 | O28 | 108.9° | 110.9° |
| C29 | C27 | C15 | 104.8° | 102.1° |
| C29 | C27 | H10 | 108.1° | 110.9° |
| C27 | C29 | H11 | 107.6° | 110.5° |
| C29 | C11 | C10 | 115.2° | 109.9° |
| C29 | C11 | C12 | 113.5° | 110.0° |
| C29 | C11 | O14 | 104.9° | 107.3° |
| C11 | C29 | H11 | 111.8° | 110.5° |
| C11 | C10 | N06 | 123.3° | 125.5° |
| C10 | C11 | C12 | 106.4° | 109.9° |
| C10 | C11 | O14 | 108.8° | 109.9° |
| C10 | N06 | C07 | 111.3° | 108.5° |
| C10 | N06 | N05 | 129.7° | 133.1° |
| O28 | C27 | C15 | 111.1° | 110.9° |
| O28 | C27 | H10 | 111.0° | 110.8° |
| C27 | O28 | H16 | 109.5° | 114.0° |
| C27 | C15 | C16 | 116.3° | 110.8° |
| C27 | C15 | O14 | 105.4° | 103.5° |
| C27 | C15 | H1 | 112.5° | 110.6° |
| C15 | C27 | H10 | 112.7° | 110.9° |
| N06 | C07 | C02 | 118.8° | 118.6° |
| C07 | N06 | N05 | 119.0° | 118.3° |
| C07 | C02 | N01 | 121.0° | 120.5° |
| C07 | C02 | N03 | 120.7° | 119.2° |
| N01 | C02 | N03 | 118.3° | 120.3° |
| C02 | N01 | H12 | 109.5° | 120.1° |
| C02 | N01 | H13 | 109.5° | 120.0° |
| C12 | C11 | O14 | 107.8° | 109.9° |
| C11 | C12 | N13 | 176.8° | 180.0° |
| C11 | O14 | C15 | 105.4° | 107.0° |
| C16 | C15 | O14 | 104.2° | 110.6° |
| C16 | C15 | H1 | 109.2° | 110.5° |
| C15 | C16 | H8 | 109.4° | 109.5° |
| C15 | C16 | H9 | 109.4° | 109.5° |
| N06 | N05 | C04 | 120.5° | 120.0° |
| C02 | N03 | C04 | 117.8° | 121.5° |
| O14 | C15 | H1 | 108.6° | 110.6° |
| N05 | C04 | N03 | 123.2° | 122.3° |
| N05 | C04 | H5 | 118.4° | 118.9° |
| N03 | C04 | H5 | 118.4° | 118.8° |
| H2 | C26 | H3 | 109.5° | 109.5° |
| H2 | C26 | H4 | 109.5° | 109.4° |
| H3 | C26 | H4 | 109.5° | 109.5° |
| H8 | C16 | H9 | 109.5° | 109.4° |
| H12 | N01 | H13 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | P18 | O20 | O21 | 123.6° | 120.0° |
| O19 | P18 | O20 | O17 | 121.0° | 120.0° |
| O19 | P18 | O21 | O17 | 113.5° | 120.0° |
| O19 | P18 | O21 | P22 | 29.4° | 45.0° |
| O19 | P18 | O17 | C16 | 166.5° | 55.0° |
| O19 | P18 | O20 | H14 | 0.0° | 180.0° |
| C26 | O25 | P22 | O23 | 175.4° | 55.0° |
| C26 | O25 | P22 | O21 | 63.8° | 175.0° |
| C26 | O25 | P22 | O24 | 44.4° | 65.0° |
| O25 | C26 | H2 | H3 | 120.0° | 120.1° |
| O25 | C26 | H2 | H4 | 120.0° | 120.0° |
| O25 | C26 | H3 | H4 | 120.0° | 120.1° |
| O25 | P22 | O23 | O21 | 116.0° | 120.0° |
| O25 | P22 | O23 | O24 | 127.7° | 120.0° |
| O25 | P22 | O21 | P18 | 80.6° | 165.0° |
| O25 | P22 | O21 | O24 | 115.0° | 120.0° |
| P22 | O25 | C26 | H2 | 180.0° | 59.9° |
| P22 | O25 | C26 | H3 | 60.0° | 180.0° |
| P22 | O25 | C26 | H4 | 60.0° | 60.0° |
| O25 | P22 | O24 | H15 | 127.6° | 60.0° |
| O23 | P22 | O21 | P18 | 39.0° | 45.0° |
| O23 | P22 | O21 | O24 | 125.4° | 120.0° |
| O23 | P22 | O24 | H15 | 0.0° | 180.0° |
| O20 | P18 | O21 | O17 | 119.0° | 120.0° |
| O20 | P18 | O21 | P22 | 156.9° | 75.0° |
| O20 | P18 | O17 | C16 | 65.3° | 65.0° |
| P18 | O21 | P22 | O24 | 164.4° | 75.0° |
| O21 | P18 | O17 | C16 | 48.5° | 175.0° |
| O21 | P18 | O20 | H14 | 123.6° | 60.1° |
| O17 | P18 | O21 | P22 | 84.1° | 165.0° |
| P18 | O17 | C16 | C15 | 162.8° | 180.0° |
| P18 | O17 | C16 | H8 | 77.2° | 59.9° |
| P18 | O17 | C16 | H9 | 42.8° | 60.0° |
| O17 | P18 | O20 | H14 | 121.0° | 60.0° |
| O21 | P22 | O24 | H15 | 122.1° | 60.0° |
| C08 | C09 | C10 | H7 | 180.0° | 180.0° |
| C09 | C08 | C07 | H6 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 179.3° | 180.0° |
| C08 | C09 | C10 | N06 | 0.8° | 0.3° |
| C09 | C08 | C07 | N06 | 0.6° | 0.1° |
| C09 | C08 | C07 | C02 | 179.5° | 179.9° |
| C10 | C09 | C08 | C07 | 0.1° | 0.2° |
| C09 | C10 | C11 | C29 | 6.5° | 117.6° |
| C09 | C10 | C11 | N06 | 178.3° | 179.8° |
| C09 | C10 | N06 | C07 | 1.3° | 0.2° |
| C09 | C10 | C11 | C12 | 120.2° | 121.2° |
| C09 | C10 | C11 | O14 | 123.8° | 0.2° |
| C09 | C10 | N06 | N05 | 179.1° | 179.7° |
| C10 | C09 | C08 | H6 | 179.9° | 179.8° |
| O30 | C29 | C27 | C11 | 119.9° | 118.7° |
| O30 | C29 | C27 | H11 | 121.5° | 122.7° |
| O30 | C29 | C11 | H11 | 125.0° | 122.7° |
| O30 | C29 | C11 | C10 | 88.1° | 119.9° |
| O30 | C29 | C27 | O28 | 42.9° | 20.4° |
| O30 | C29 | C27 | C15 | 161.8° | 97.8° |
| O30 | C29 | C11 | C12 | 34.9° | 1.2° |
| O30 | C29 | C11 | O14 | 152.4° | 120.7° |
| O30 | C29 | C27 | H10 | 77.7° | 144.0° |
| C08 | C07 | N06 | C10 | 1.2° | 0.1° |
| C08 | C07 | N06 | C02 | 179.1° | 179.9° |
| C08 | C07 | C02 | N01 | 0.1° | 0.2° |
| C08 | C07 | N06 | N05 | 179.3° | 179.8° |
| C08 | C07 | C02 | N03 | 179.8° | 179.9° |
| C07 | C08 | C09 | H7 | 179.9° | 179.8° |
| O17 | C16 | C15 | C27 | 18.0° | 179.4° |
| O17 | C16 | C15 | H8 | 120.0° | 120.0° |
| O17 | C16 | C15 | H9 | 120.0° | 120.0° |
| O17 | C16 | C15 | O14 | 97.5° | 66.4° |
| O17 | C16 | C15 | H1 | 146.6° | 56.4° |
| O17 | C16 | H8 | H9 | 119.9° | 119.9° |
| C27 | C29 | C11 | H11 | 115.7° | 118.7° |
| C27 | C29 | C11 | C10 | 152.7° | 121.5° |
| C29 | C27 | O28 | C15 | 114.9° | 112.8° |
| C29 | C27 | O28 | H10 | 118.9° | 123.6° |
| C29 | C27 | C15 | H10 | 117.3° | 118.2° |
| C27 | C29 | C11 | C12 | 84.3° | 117.4° |
| C27 | C29 | C11 | O14 | 33.1° | 2.0° |
| C29 | C27 | C15 | C16 | 86.5° | 155.6° |
| C29 | C27 | C15 | O14 | 28.3° | 37.0° |
| C29 | C27 | C15 | H1 | 146.5° | 81.5° |
| C29 | C27 | O28 | H16 | 180.0° | 67.3° |
| C27 | C29 | O30 | H17 | 180.0° | 61.5° |
| C29 | C11 | C10 | C12 | 126.7° | 121.2° |
| C29 | C11 | C10 | O14 | 117.4° | 117.8° |
| C29 | C11 | C10 | N06 | 175.2° | 62.6° |
| C11 | C29 | C27 | O28 | 77.0° | 139.1° |
| C11 | C29 | C27 | C15 | 41.9° | 20.8° |
| C29 | C11 | C12 | O14 | 115.7° | 117.9° |
| C29 | C11 | O14 | C15 | 17.7° | 26.5° |
| C29 | C11 | C12 | N13 | 162.4° | 94.2° |
| C11 | C29 | C27 | H10 | 162.4° | 97.3° |
| C11 | C29 | O30 | H17 | 64.8° | 176.3° |
| C11 | C10 | N06 | C07 | 179.9° | 180.0° |
| C10 | C11 | C12 | O14 | 116.6° | 121.0° |
| C11 | C10 | N06 | N05 | 2.3° | 0.1° |
| C10 | C11 | O14 | C15 | 141.4° | 145.9° |
| C10 | C11 | C12 | N13 | 69.8° | 144.7° |
| C11 | C10 | C09 | H7 | 0.7° | 0.1° |
| C10 | C11 | C29 | H11 | 36.9° | 2.8° |
| C10 | N06 | C07 | N05 | 178.1° | 179.9° |
| C10 | N06 | C07 | C02 | 179.8° | 180.0° |
| N06 | C10 | C11 | C12 | 58.1° | 58.6° |
| N06 | C10 | C11 | O14 | 57.9° | 179.6° |
| C10 | N06 | N05 | C04 | 179.5° | 180.0° |
| N06 | C10 | C09 | H7 | 179.2° | 179.7° |
| O28 | C27 | C15 | H10 | 125.3° | 123.6° |
| O28 | C27 | C15 | C16 | 156.1° | 86.2° |
| O28 | C27 | C15 | O14 | 89.1° | 155.2° |
| O28 | C27 | C15 | H1 | 29.1° | 36.8° |
| O28 | C27 | C29 | H11 | 164.4° | 102.2° |
| C27 | C15 | O14 | C11 | 9.9° | 40.0° |
| C27 | C15 | C16 | O14 | 115.5° | 114.2° |
| C27 | C15 | C16 | H1 | 128.6° | 122.9° |
| C27 | C15 | O14 | H1 | 120.7° | 118.5° |
| C27 | C15 | C16 | H8 | 102.0° | 59.3° |
| C27 | C15 | C16 | H9 | 138.1° | 60.6° |
| C15 | C27 | C29 | H11 | 76.7° | 139.5° |
| C15 | C27 | O28 | H16 | 65.1° | 179.9° |
| N06 | C07 | C02 | N01 | 178.8° | 179.9° |
| N06 | C07 | C02 | N03 | 1.5° | 0.0° |
| C07 | N06 | N05 | C04 | 1.7° | 0.1° |
| N06 | C07 | C08 | H6 | 179.4° | 180.0° |
| C07 | C02 | N01 | N03 | 179.7° | 179.9° |
| C02 | C07 | N06 | N05 | 1.6° | 0.1° |
| C07 | C02 | N03 | C04 | 1.3° | 0.1° |
| C02 | C07 | C08 | H6 | 0.5° | 0.1° |
| C07 | C02 | N01 | H12 | 179.7° | 179.9° |
| C07 | C02 | N01 | H13 | 59.7° | 0.1° |
| N01 | C02 | N03 | C04 | 179.0° | 180.0° |
| C02 | N01 | H12 | H13 | 120.0° | 180.0° |
| C12 | C11 | O14 | C15 | 103.6° | 93.1° |
| C12 | C11 | C29 | H11 | 160.0° | 123.9° |
| C11 | O14 | C15 | C16 | 113.1° | 158.7° |
| O14 | C11 | C12 | N13 | 46.7° | 23.7° |
| C11 | O14 | C15 | H1 | 130.6° | 78.4° |
| O14 | C11 | C29 | H11 | 82.6° | 116.6° |
| C16 | C15 | O14 | H1 | 116.3° | 122.8° |
| C15 | C16 | H8 | H9 | 119.9° | 120.0° |
| C16 | C15 | C27 | H10 | 30.8° | 37.4° |
| N06 | N05 | C04 | N03 | 1.6° | 0.1° |
| N06 | N05 | C04 | H5 | 178.5° | 180.0° |
| C02 | N03 | C04 | N05 | 1.3° | 0.1° |
| C02 | N03 | C04 | H5 | 178.7° | 180.0° |
| N03 | C02 | N01 | H12 | 0.0° | 0.0° |
| N03 | C02 | N01 | H13 | 120.0° | 180.0° |
| O14 | C15 | C16 | H8 | 142.5° | 173.5° |
| O14 | C15 | C16 | H9 | 22.6° | 53.6° |
| O14 | C15 | C27 | H10 | 145.6° | 81.2° |
| N05 | C04 | N03 | H5 | 180.0° | 179.9° |
| H1 | C15 | C16 | H8 | 26.6° | 63.6° |
| H1 | C15 | C16 | H9 | 93.4° | 176.4° |
| H1 | C15 | C27 | H10 | 96.2° | 160.4° |
| H2 | C26 | H3 | H4 | 120.0° | 119.9° |
| H6 | C08 | C09 | H7 | 0.1° | 0.2° |
| H10 | C27 | C29 | H11 | 43.8° | 21.4° |
| H10 | C27 | O28 | H16 | 61.1° | 56.3° |
| H11 | C29 | O30 | H17 | 60.6° | 61.1° |
