491
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | P17 | doub | 1.48Å | 1.51Å | |
| O6 | C6 | sing | 1.43Å | 1.41Å | |
| O5 | C1 | sing | 1.43Å | 1.50Å | |
| O5 | C5 | sing | 1.43Å | 1.46Å | |
| O7 | C7 | doub | 1.21Å | 1.22Å | |
| O19 | P17 | sing | 1.61Å | 1.51Å | |
| P17 | O18 | sing | 1.61Å | 1.51Å | |
| P17 | O1 | sing | 1.61Å | 1.56Å | |
| C6 | C5 | sing | 1.53Å | 1.50Å | |
| C1 | O1 | sing | 1.43Å | 1.35Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.51Å | 1.56Å | |
| C7 | N2 | sing | 1.35Å | 1.46Å | |
| C2 | N2 | sing | 1.46Å | 1.49Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C4 | O4 | sing | 1.43Å | 1.42Å | |
| C3 | O3 | sing | 1.43Å | 1.48Å | |
| O3 | C02 | sing | 1.43Å | 1.44Å | |
| C02 | C03 | sing | 1.51Å | 1.47Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C03 | O05 | doub | 1.21Å | 1.26Å | |
| C03 | O04 | sing | 1.34Å | 1.25Å | |
| C01 | H1A | sing | 1.09Å | 1.10Å | |
| C01 | H2A | sing | 1.09Å | 1.10Å | |
| C01 | H3A | sing | 1.09Å | 1.10Å | |
| C02 | H4A | sing | 1.09Å | 1.10Å | |
| O04 | H5A | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å | |
| O18 | H15 | sing | 0.97Å | 0.95Å | |
| O19 | H16 | sing | 0.97Å | 0.95Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | P17 | O19 | 109.4° | 109.5° |
| O20 | P17 | O18 | 109.0° | 109.4° |
| O20 | P17 | O1 | 111.0° | 109.5° |
| O6 | C6 | C5 | 107.3° | 109.5° |
| O6 | C6 | H61 | 110.0° | 109.5° |
| O6 | C6 | H62 | 110.0° | 109.5° |
| C6 | O6 | HO6 | 109.5° | 114.0° |
| C1 | O5 | C5 | 114.1° | 114.1° |
| O5 | C1 | O1 | 110.0° | 109.5° |
| O5 | C1 | C2 | 110.3° | 109.4° |
| O5 | C1 | H1 | 108.4° | 109.5° |
| O5 | C5 | C6 | 107.6° | 109.5° |
| O5 | C5 | C4 | 113.6° | 109.5° |
| O5 | C5 | H5 | 109.0° | 109.5° |
| O7 | C7 | C8 | 119.9° | 120.0° |
| O7 | C7 | N2 | 120.5° | 120.0° |
| O19 | P17 | O18 | 108.9° | 109.5° |
| O19 | P17 | O1 | 110.0° | 109.5° |
| P17 | O19 | H16 | 109.5° | 114.0° |
| O18 | P17 | O1 | 108.4° | 109.5° |
| P17 | O18 | H15 | 109.5° | 114.0° |
| P17 | O1 | C1 | 121.3° | 123.1° |
| C6 | C5 | C4 | 109.7° | 109.5° |
| C6 | C5 | H5 | 108.5° | 109.5° |
| C5 | C6 | H61 | 110.0° | 109.5° |
| C5 | C6 | H62 | 110.0° | 109.5° |
| O1 | C1 | C2 | 109.4° | 109.5° |
| O1 | C1 | H1 | 110.4° | 109.4° |
| C1 | C2 | N2 | 111.8° | 109.6° |
| C1 | C2 | C3 | 110.2° | 109.1° |
| C1 | C2 | H2 | 108.3° | 109.6° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C5 | C4 | C3 | 110.4° | 109.1° |
| C5 | C4 | O4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 108.4° | 109.4° |
| C5 | C4 | H4 | 108.4° | 109.6° |
| C8 | C7 | N2 | 119.6° | 120.0° |
| C7 | C8 | H81 | 109.5° | 109.4° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| C7 | C8 | H83 | 109.5° | 109.5° |
| C7 | N2 | C2 | 121.3° | 120.0° |
| C7 | N2 | HN2 | 119.4° | 120.0° |
| N2 | C2 | C3 | 109.1° | 109.5° |
| N2 | C2 | H2 | 108.5° | 109.5° |
| C2 | N2 | HN2 | 119.3° | 120.0° |
| C2 | C3 | C4 | 109.4° | 109.1° |
| C2 | C3 | O3 | 110.0° | 109.5° |
| C2 | C3 | H3 | 108.9° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C3 | C4 | O4 | 110.1° | 109.6° |
| C4 | C3 | O3 | 111.3° | 109.6° |
| C4 | C3 | H3 | 108.4° | 109.6° |
| C3 | C4 | H4 | 108.7° | 109.4° |
| O4 | C4 | H4 | 109.7° | 109.6° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| C3 | O3 | C02 | 114.1° | 114.0° |
| O3 | C3 | H3 | 108.7° | 109.5° |
| O3 | C02 | C03 | 109.7° | 109.4° |
| O3 | C02 | C01 | 110.0° | 109.5° |
| O3 | C02 | H4A | 109.9° | 109.4° |
| C03 | C02 | C01 | 109.1° | 109.5° |
| C02 | C03 | O05 | 120.2° | 120.1° |
| C02 | C03 | O04 | 119.8° | 120.0° |
| C03 | C02 | H4A | 109.3° | 109.5° |
| C02 | C01 | H1A | 109.5° | 109.5° |
| C02 | C01 | H2A | 109.5° | 109.5° |
| C02 | C01 | H3A | 109.5° | 109.4° |
| C01 | C02 | H4A | 108.8° | 109.5° |
| O05 | C03 | O04 | 120.0° | 119.9° |
| C03 | O04 | H5A | 109.5° | 117.0° |
| H1A | C01 | H2A | 109.4° | 109.5° |
| H1A | C01 | H3A | 109.4° | 109.4° |
| H2A | C01 | H3A | 109.5° | 109.4° |
| H61 | C6 | H62 | 109.5° | 109.4° |
| H81 | C8 | H82 | 109.4° | 109.5° |
| H81 | C8 | H83 | 109.5° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | P17 | O19 | O18 | 119.1° | 120.0° |
| O20 | P17 | O19 | O1 | 122.2° | 120.0° |
| O20 | P17 | O18 | O1 | 120.9° | 119.9° |
| O20 | P17 | O1 | C1 | 44.3° | 55.0° |
| O20 | P17 | O18 | H15 | 0.0° | 180.0° |
| O20 | P17 | O19 | H16 | 0.0° | 59.9° |
| O6 | C6 | C5 | O5 | 60.7° | 65.0° |
| O6 | C6 | C5 | H61 | 119.7° | 120.1° |
| O6 | C6 | C5 | H62 | 119.7° | 120.0° |
| O6 | C6 | C5 | C4 | 175.3° | 175.0° |
| O6 | C6 | C5 | H5 | 57.1° | 55.0° |
| O6 | C6 | H61 | H62 | 121.0° | 120.0° |
| O5 | C1 | O1 | P17 | 54.9° | 90.1° |
| C1 | O5 | C5 | C6 | 168.4° | 178.8° |
| O5 | C1 | O1 | C2 | 121.3° | 120.0° |
| O5 | C1 | O1 | H1 | 119.6° | 120.0° |
| O5 | C1 | C2 | H1 | 118.4° | 120.0° |
| C1 | O5 | C5 | C4 | 46.8° | 61.2° |
| O5 | C1 | C2 | N2 | 179.5° | 177.5° |
| O5 | C1 | C2 | C3 | 57.9° | 57.6° |
| O5 | C1 | C2 | H2 | 61.0° | 62.3° |
| C1 | O5 | C5 | H5 | 74.1° | 58.8° |
| O5 | C5 | C6 | C4 | 124.0° | 120.0° |
| O5 | C5 | C6 | H5 | 117.8° | 120.0° |
| C5 | O5 | C1 | O1 | 71.2° | 58.8° |
| C5 | O5 | C1 | C2 | 49.6° | 61.2° |
| O5 | C5 | C4 | H5 | 121.3° | 120.0° |
| O5 | C5 | C4 | C3 | 50.6° | 57.5° |
| O5 | C5 | C4 | O4 | 172.0° | 177.5° |
| C5 | O5 | C1 | H1 | 168.0° | 178.8° |
| O5 | C5 | C4 | H4 | 68.3° | 62.3° |
| O5 | C5 | C6 | H61 | 58.9° | 174.9° |
| O5 | C5 | C6 | H62 | 179.6° | 55.0° |
| O7 | C7 | C8 | N2 | 179.8° | 180.0° |
| O7 | C7 | N2 | C2 | 0.7° | 0.0° |
| O7 | C7 | N2 | HN2 | 179.3° | 180.0° |
| O7 | C7 | C8 | H81 | 0.0° | 180.0° |
| O7 | C7 | C8 | H82 | 120.0° | 60.0° |
| O7 | C7 | C8 | H83 | 120.0° | 60.0° |
| O19 | P17 | O18 | O1 | 119.7° | 120.0° |
| O19 | P17 | O1 | C1 | 77.0° | 175.0° |
| O19 | P17 | O18 | H15 | 119.3° | 60.0° |
| O18 | P17 | O1 | C1 | 164.0° | 65.0° |
| O18 | P17 | O19 | H16 | 119.1° | 60.0° |
| P17 | O1 | C1 | C2 | 176.2° | 150.0° |
| P17 | O1 | C1 | H1 | 64.7° | 30.0° |
| O1 | P17 | O18 | H15 | 120.9° | 60.1° |
| O1 | P17 | O19 | H16 | 122.2° | 180.0° |
| C6 | C5 | C4 | H5 | 118.3° | 120.0° |
| C6 | C5 | C4 | C3 | 171.1° | 177.5° |
| C6 | C5 | C4 | O4 | 67.5° | 62.5° |
| C6 | C5 | C4 | H4 | 52.2° | 57.7° |
| C5 | C6 | H61 | H62 | 121.0° | 120.0° |
| C5 | C6 | O6 | HO6 | 180.0° | 180.0° |
| O1 | C1 | C2 | H1 | 120.4° | 120.0° |
| O1 | C1 | C2 | N2 | 58.3° | 57.5° |
| O1 | C1 | C2 | C3 | 63.2° | 62.4° |
| O1 | C1 | C2 | H2 | 177.8° | 177.7° |
| C1 | C2 | N2 | C7 | 64.0° | 87.0° |
| C1 | C2 | N2 | C3 | 122.2° | 119.7° |
| C1 | C2 | N2 | H2 | 119.4° | 120.2° |
| C1 | C2 | C3 | H2 | 118.6° | 120.0° |
| C1 | C2 | C3 | C4 | 63.4° | 56.9° |
| C1 | C2 | C3 | O3 | 173.9° | 176.8° |
| C1 | C2 | C3 | H3 | 54.9° | 63.1° |
| C1 | C2 | N2 | HN2 | 116.0° | 93.0° |
| C5 | C4 | C3 | C2 | 58.8° | 56.9° |
| C5 | C4 | C3 | O4 | 121.0° | 119.9° |
| C5 | C4 | C3 | H4 | 118.8° | 119.9° |
| C5 | C4 | O4 | H4 | 118.9° | 120.2° |
| C5 | C4 | C3 | O3 | 179.3° | 176.7° |
| C5 | C4 | C3 | H3 | 59.8° | 63.1° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.0° |
| C4 | C5 | C6 | H61 | 65.0° | 54.9° |
| C4 | C5 | C6 | H62 | 55.6° | 65.0° |
| C8 | C7 | N2 | C2 | 179.5° | 180.0° |
| C8 | C7 | N2 | HN2 | 0.5° | 0.0° |
| C7 | C8 | H81 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H83 | 120.0° | 120.0° |
| C7 | C8 | H82 | H83 | 120.0° | 120.0° |
| C7 | N2 | C2 | HN2 | 180.0° | 180.0° |
| C7 | N2 | C2 | C3 | 173.8° | 153.3° |
| C7 | N2 | C2 | H2 | 55.4° | 33.2° |
| N2 | C7 | C8 | H81 | 179.8° | 0.0° |
| N2 | C7 | C8 | H82 | 60.2° | 120.0° |
| N2 | C7 | C8 | H83 | 59.8° | 120.0° |
| N2 | C2 | C3 | H2 | 118.2° | 120.1° |
| N2 | C2 | C3 | C4 | 173.4° | 176.9° |
| N2 | C2 | C3 | O3 | 50.8° | 63.2° |
| N2 | C2 | C3 | H3 | 68.2° | 56.9° |
| N2 | C2 | C1 | H1 | 62.1° | 62.5° |
| C2 | C3 | C4 | O3 | 121.9° | 119.9° |
| C2 | C3 | C4 | H3 | 118.6° | 120.0° |
| C2 | C3 | C4 | O4 | 179.8° | 176.8° |
| C2 | C3 | O3 | H3 | 119.1° | 120.1° |
| C2 | C3 | O3 | C02 | 136.8° | 99.9° |
| C3 | C2 | C1 | H1 | 176.4° | 177.6° |
| C2 | C3 | C4 | H4 | 60.0° | 63.0° |
| C3 | C2 | N2 | HN2 | 6.2° | 26.7° |
| C3 | C4 | O4 | H4 | 119.6° | 120.1° |
| C4 | C3 | O3 | H3 | 119.4° | 120.2° |
| C4 | C3 | O3 | C02 | 101.7° | 140.4° |
| C4 | C3 | C2 | H2 | 55.2° | 63.0° |
| C3 | C4 | C5 | H5 | 70.6° | 62.5° |
| C3 | C4 | O4 | HO4 | 58.5° | 179.7° |
| O4 | C4 | C3 | O3 | 58.3° | 63.3° |
| O4 | C4 | C3 | H3 | 61.2° | 56.9° |
| O4 | C4 | C5 | H5 | 50.8° | 57.5° |
| C3 | O3 | C02 | C03 | 89.3° | 151.4° |
| C3 | O3 | C02 | C01 | 150.6° | 88.6° |
| C3 | O3 | C02 | H4A | 30.9° | 31.5° |
| O3 | C3 | C2 | H2 | 67.5° | 56.9° |
| O3 | C3 | C4 | H4 | 61.9° | 56.9° |
| O3 | C02 | C03 | C01 | 120.5° | 120.0° |
| O3 | C02 | C03 | H4A | 120.6° | 120.0° |
| O3 | C02 | C01 | H4A | 120.4° | 120.0° |
| O3 | C02 | C03 | O05 | 61.5° | 5.1° |
| O3 | C02 | C03 | O04 | 118.6° | 175.0° |
| O3 | C02 | C01 | H1A | 180.0° | 64.7° |
| O3 | C02 | C01 | H2A | 60.0° | 55.4° |
| O3 | C02 | C01 | H3A | 60.0° | 175.4° |
| C02 | O3 | C3 | H3 | 17.6° | 20.2° |
| C03 | C02 | C01 | H4A | 119.2° | 120.0° |
| C02 | C03 | O05 | O04 | 179.8° | 179.9° |
| C03 | C02 | C01 | H1A | 59.6° | 55.3° |
| C03 | C02 | C01 | H2A | 60.4° | 175.4° |
| C03 | C02 | C01 | H3A | 179.6° | 64.7° |
| C02 | C03 | O04 | H5A | 179.8° | 180.0° |
| C01 | C02 | C03 | O05 | 59.0° | 114.9° |
| C01 | C02 | C03 | O04 | 120.8° | 65.0° |
| C02 | C01 | H1A | H2A | 120.0° | 120.1° |
| C02 | C01 | H1A | H3A | 120.0° | 120.0° |
| C02 | C01 | H2A | H3A | 120.0° | 120.0° |
| O05 | C03 | C02 | H4A | 177.9° | 125.0° |
| O05 | C03 | O04 | H5A | 0.0° | 0.1° |
| O04 | C03 | C02 | H4A | 1.9° | 55.1° |
| H1A | C01 | H2A | H3A | 120.0° | 120.0° |
| H1A | C01 | C02 | H4A | 59.6° | 175.3° |
| H2A | C01 | C02 | H4A | 179.6° | 64.6° |
| H3A | C01 | C02 | H4A | 60.4° | 55.4° |
| H3 | C3 | C2 | H2 | 173.6° | 177.0° |
| H3 | C3 | C4 | H4 | 178.6° | 177.1° |
| H2 | C2 | C1 | H1 | 57.4° | 57.7° |
| H2 | C2 | N2 | HN2 | 124.7° | 146.8° |
| H5 | C5 | C4 | H4 | 170.5° | 177.7° |
| H5 | C5 | C6 | H61 | 176.8° | 65.1° |
| H5 | C5 | C6 | H62 | 62.6° | 175.0° |
| H4 | C4 | O4 | HO4 | 61.1° | 60.2° |
| H61 | C6 | O6 | HO6 | 60.4° | 59.9° |
| H62 | C6 | O6 | HO6 | 60.3° | 60.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.1° |
