OK8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | sing | 1.43Å | 1.38Å | |
| C20 | C21 | sing | 1.54Å | 1.61Å | |
| C20 | O19 | sing | 1.44Å | 1.37Å | |
| C20 | C25 | sing | 1.53Å | 1.53Å | |
| C21 | C23 | sing | 1.54Å | 1.57Å | |
| O19 | C18 | sing | 1.44Å | 1.41Å | |
| C25 | O26 | sing | 1.43Å | 1.35Å | |
| C18 | C23 | sing | 1.55Å | 1.52Å | |
| C18 | N15 | sing | 1.46Å | 1.42Å | |
| C23 | O24 | sing | 1.43Å | 1.41Å | |
| O26 | P27 | sing | 1.61Å | 1.78Å | |
| N17 | C16 | sing | 1.38Å | 1.35Å | |
| N15 | C16 | sing | 1.36Å | 1.36Å | Aromatic |
| N15 | C14 | sing | 1.36Å | 1.42Å | Aromatic |
| O30 | P27 | doub | 1.48Å | 1.47Å | |
| O29 | P27 | sing | 1.61Å | 1.49Å | |
| C16 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| P27 | O28 | sing | 1.61Å | 1.50Å | |
| C14 | N13 | doub | 1.30Å | 1.28Å | Aromatic |
| C12 | N13 | sing | 1.36Å | 1.43Å | Aromatic |
| C12 | C10 | sing | 1.46Å | 1.43Å | |
| O11 | C10 | doub | 1.22Å | 1.20Å | |
| C10 | N09 | sing | 1.35Å | 1.35Å | |
| N09 | C05 | sing | 1.47Å | 1.46Å | |
| O08 | C06 | doub | 1.21Å | 1.25Å | |
| C05 | C06 | sing | 1.51Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C06 | O07 | sing | 1.34Å | 1.27Å | |
| O01 | C02 | doub | 1.21Å | 1.27Å | |
| C02 | C04 | sing | 1.51Å | 1.47Å | |
| C02 | O03 | sing | 1.34Å | 1.26Å | |
| C20 | H1 | sing | 1.09Å | 1.10Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| O03 | H3 | sing | 0.97Å | 0.95Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C04 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| O07 | H7 | sing | 0.97Å | 0.95Å | |
| N09 | H8 | sing | 0.97Å | 1.00Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| N17 | H10 | sing | 0.97Å | 1.00Å | |
| N17 | H11 | sing | 0.97Å | 1.00Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| O22 | H13 | sing | 0.97Å | 0.95Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| O24 | H15 | sing | 0.97Å | 0.95Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| O28 | H18 | sing | 0.97Å | 0.95Å | |
| O29 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | C20 | 108.3° | 110.5° |
| O22 | C21 | C23 | 109.0° | 110.5° |
| O22 | C21 | H2 | 113.3° | 110.5° |
| C21 | O22 | H13 | 109.5° | 114.0° |
| C21 | C20 | O19 | 104.0° | 104.8° |
| C21 | C20 | C25 | 112.2° | 110.4° |
| C20 | C21 | C23 | 105.6° | 104.1° |
| C21 | C20 | H1 | 108.9° | 110.4° |
| C20 | C21 | H2 | 109.9° | 110.5° |
| O19 | C20 | C25 | 109.3° | 110.3° |
| C20 | O19 | C18 | 111.7° | 105.3° |
| O19 | C20 | H1 | 112.4° | 110.4° |
| C20 | C25 | O26 | 108.7° | 109.5° |
| C25 | C20 | H1 | 109.9° | 110.4° |
| C20 | C25 | H16 | 109.7° | 109.5° |
| C20 | C25 | H17 | 109.7° | 109.4° |
| C21 | C23 | C18 | 96.0° | 104.1° |
| C21 | C23 | O24 | 117.1° | 110.5° |
| C23 | C21 | H2 | 110.4° | 110.5° |
| C21 | C23 | H14 | 110.9° | 110.5° |
| O19 | C18 | C23 | 112.4° | 104.8° |
| O19 | C18 | N15 | 108.3° | 110.4° |
| O19 | C18 | H12 | 110.9° | 110.4° |
| C25 | O26 | P27 | 117.7° | 123.0° |
| O26 | C25 | H16 | 109.6° | 109.5° |
| O26 | C25 | H17 | 109.6° | 109.5° |
| C23 | C18 | N15 | 105.1° | 110.4° |
| C18 | C23 | O24 | 106.5° | 110.5° |
| C23 | C18 | H12 | 109.3° | 110.3° |
| C18 | C23 | H14 | 111.5° | 110.5° |
| C18 | N15 | C16 | 126.5° | 126.2° |
| C18 | N15 | C14 | 123.2° | 126.2° |
| N15 | C18 | H12 | 110.8° | 110.4° |
| O24 | C23 | H14 | 113.4° | 110.5° |
| C23 | O24 | H15 | 109.5° | 114.0° |
| O26 | P27 | O30 | 99.0° | 109.5° |
| O26 | P27 | O29 | 105.9° | 109.5° |
| O26 | P27 | O28 | 101.0° | 109.4° |
| N17 | C16 | N15 | 122.8° | 126.8° |
| N17 | C16 | C12 | 133.2° | 126.8° |
| C16 | N17 | H10 | 109.5° | 120.0° |
| C16 | N17 | H11 | 109.4° | 120.0° |
| C16 | N15 | C14 | 110.2° | 107.6° |
| N15 | C16 | C12 | 104.0° | 106.4° |
| N15 | C14 | N13 | 108.2° | 109.5° |
| N15 | C14 | H9 | 125.9° | 125.2° |
| O30 | P27 | O29 | 111.3° | 109.5° |
| O30 | P27 | O28 | 115.5° | 109.5° |
| O29 | P27 | O28 | 120.5° | 109.5° |
| P27 | O29 | H19 | 109.5° | 114.0° |
| C16 | C12 | N13 | 109.7° | 107.2° |
| C16 | C12 | C10 | 127.4° | 126.4° |
| P27 | O28 | H18 | 109.5° | 114.0° |
| C14 | N13 | C12 | 107.5° | 109.2° |
| N13 | C14 | H9 | 125.9° | 125.2° |
| N13 | C12 | C10 | 121.5° | 126.4° |
| C12 | C10 | O11 | 119.9° | 120.0° |
| C12 | C10 | N09 | 111.4° | 120.0° |
| O11 | C10 | N09 | 128.7° | 120.0° |
| C10 | N09 | C05 | 139.1° | 120.0° |
| C10 | N09 | H8 | 110.4° | 120.0° |
| N09 | C05 | C06 | 94.7° | 109.5° |
| N09 | C05 | C04 | 114.9° | 109.5° |
| N09 | C05 | H6 | 112.8° | 109.5° |
| C05 | N09 | H8 | 110.5° | 120.0° |
| O08 | C06 | C05 | 115.0° | 120.0° |
| O08 | C06 | O07 | 125.0° | 120.0° |
| C06 | C05 | C04 | 109.9° | 109.5° |
| C05 | C06 | O07 | 119.1° | 120.0° |
| C06 | C05 | H6 | 111.4° | 109.5° |
| C05 | C04 | C02 | 109.5° | 109.5° |
| C05 | C04 | H4 | 109.4° | 109.4° |
| C05 | C04 | H5 | 109.5° | 109.5° |
| C04 | C05 | H6 | 111.9° | 109.4° |
| C06 | O07 | H7 | 109.5° | 116.9° |
| O01 | C02 | C04 | 117.1° | 119.9° |
| O01 | C02 | O03 | 124.4° | 120.0° |
| C04 | C02 | O03 | 118.5° | 120.0° |
| C02 | C04 | H4 | 109.4° | 109.5° |
| C02 | C04 | H5 | 109.4° | 109.5° |
| C02 | O03 | H3 | 109.5° | 117.0° |
| H4 | C04 | H5 | 109.5° | 109.4° |
| H10 | N17 | H11 | 109.4° | 120.0° |
| H16 | C25 | H17 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | C20 | C23 | 116.6° | 118.7° |
| O22 | C21 | C20 | H2 | 124.3° | 122.7° |
| O22 | C21 | C20 | O19 | 93.2° | 142.6° |
| O22 | C21 | C20 | C25 | 148.7° | 98.5° |
| O22 | C21 | C23 | H2 | 125.1° | 122.7° |
| O22 | C21 | C23 | C18 | 86.2° | 118.7° |
| O22 | C21 | C23 | O24 | 25.7° | 0.0° |
| O22 | C21 | C20 | H1 | 26.8° | 23.8° |
| O22 | C21 | C23 | H14 | 158.0° | 122.7° |
| C21 | C20 | O19 | C25 | 120.0° | 118.9° |
| C21 | C20 | O19 | H1 | 117.7° | 118.9° |
| C21 | C20 | C25 | H1 | 121.4° | 122.3° |
| C20 | C21 | C23 | H2 | 118.8° | 118.7° |
| C21 | C20 | O19 | C18 | 4.6° | 40.5° |
| C21 | C20 | C25 | O26 | 28.5° | 175.0° |
| C20 | C21 | C23 | C18 | 30.0° | 0.0° |
| C20 | C21 | C23 | O24 | 141.9° | 118.7° |
| C20 | C21 | O22 | H13 | 180.0° | 180.0° |
| C20 | C21 | C23 | H14 | 85.8° | 118.7° |
| C21 | C20 | C25 | H16 | 148.4° | 55.0° |
| C21 | C20 | C25 | H17 | 91.4° | 64.9° |
| O19 | C20 | C25 | H1 | 123.8° | 122.3° |
| O19 | C20 | C21 | C23 | 23.4° | 24.0° |
| O19 | C20 | C25 | O26 | 86.3° | 69.6° |
| C20 | O19 | C18 | C23 | 17.0° | 40.5° |
| C20 | O19 | C18 | N15 | 132.6° | 159.3° |
| O19 | C20 | C21 | H2 | 142.5° | 94.6° |
| C20 | O19 | C18 | H12 | 105.7° | 78.3° |
| O19 | C20 | C25 | H16 | 33.6° | 170.4° |
| O19 | C20 | C25 | H17 | 153.8° | 50.5° |
| C25 | C20 | C21 | C23 | 94.7° | 142.8° |
| C25 | C20 | O19 | C18 | 115.4° | 159.4° |
| C20 | C25 | O26 | H16 | 119.9° | 120.0° |
| C20 | C25 | O26 | H17 | 119.9° | 120.0° |
| C20 | C25 | O26 | P27 | 166.0° | 180.0° |
| C25 | C20 | C21 | H2 | 24.4° | 24.2° |
| C20 | C25 | H16 | H17 | 120.4° | 119.9° |
| C21 | C23 | C18 | O19 | 29.4° | 24.0° |
| C21 | C23 | C18 | O24 | 120.6° | 118.6° |
| C21 | C23 | C18 | H14 | 115.2° | 118.6° |
| C21 | C23 | C18 | N15 | 146.9° | 142.8° |
| C21 | C23 | O24 | H14 | 131.1° | 122.6° |
| C23 | C21 | C20 | H1 | 143.4° | 94.9° |
| C21 | C23 | C18 | H12 | 94.1° | 94.9° |
| C23 | C21 | O22 | H13 | 65.6° | 65.3° |
| C21 | C23 | O24 | H15 | 180.0° | 61.5° |
| O19 | C18 | C23 | N15 | 117.5° | 118.9° |
| O19 | C18 | C23 | H12 | 123.5° | 118.9° |
| O19 | C18 | N15 | H12 | 121.8° | 122.4° |
| O19 | C18 | C23 | O24 | 149.9° | 142.6° |
| O19 | C18 | N15 | C16 | 112.1° | 159.6° |
| O19 | C18 | N15 | C14 | 67.2° | 19.9° |
| C18 | O19 | C20 | H1 | 122.3° | 78.3° |
| O19 | C18 | C23 | H14 | 85.9° | 94.7° |
| C25 | O26 | P27 | O30 | 91.4° | 55.0° |
| C25 | O26 | P27 | O29 | 23.8° | 175.0° |
| C25 | O26 | P27 | O28 | 150.2° | 65.0° |
| O26 | C25 | C20 | H1 | 149.9° | 52.7° |
| O26 | C25 | H16 | H17 | 120.3° | 120.0° |
| C23 | C18 | N15 | H12 | 117.9° | 122.2° |
| C18 | C23 | O24 | H14 | 123.0° | 122.7° |
| C23 | C18 | N15 | C16 | 127.7° | 85.0° |
| C23 | C18 | N15 | C14 | 53.0° | 95.5° |
| C18 | C23 | C21 | H2 | 148.7° | 118.7° |
| C18 | C23 | O24 | H15 | 74.2° | 176.1° |
| N15 | C18 | C23 | O24 | 92.6° | 98.5° |
| C18 | N15 | C16 | N17 | 2.1° | 0.4° |
| C18 | N15 | C16 | C14 | 179.4° | 179.6° |
| C18 | N15 | C16 | C12 | 176.0° | 180.0° |
| C18 | N15 | C14 | N13 | 179.6° | 179.9° |
| C18 | N15 | C14 | H9 | 0.4° | 0.1° |
| N15 | C18 | C23 | H14 | 31.6° | 24.2° |
| O24 | C23 | C21 | H2 | 99.3° | 122.7° |
| O24 | C23 | C18 | H12 | 26.4° | 23.7° |
| O26 | P27 | O30 | O29 | 111.1° | 120.0° |
| O26 | P27 | O30 | O28 | 106.9° | 120.0° |
| O26 | P27 | O29 | O28 | 113.5° | 120.0° |
| P27 | O26 | C25 | H16 | 46.1° | 59.9° |
| P27 | O26 | C25 | H17 | 74.1° | 60.0° |
| O26 | P27 | O28 | H18 | 105.7° | 60.0° |
| O26 | P27 | O29 | H19 | 106.6° | 180.0° |
| N17 | C16 | N15 | C12 | 178.1° | 179.6° |
| N17 | C16 | N15 | C14 | 178.5° | 180.0° |
| N17 | C16 | C12 | N13 | 176.7° | 180.0° |
| N17 | C16 | C12 | C10 | 10.0° | 0.3° |
| C16 | N17 | H10 | H11 | 120.0° | 179.9° |
| C16 | N15 | C14 | N13 | 0.2° | 0.3° |
| N15 | C16 | C12 | N13 | 5.5° | 0.4° |
| N15 | C16 | C12 | C10 | 172.2° | 179.9° |
| C16 | N15 | C14 | H9 | 179.8° | 179.7° |
| N15 | C16 | N17 | H10 | 180.0° | 0.0° |
| N15 | C16 | N17 | H11 | 60.0° | 179.9° |
| C16 | N15 | C18 | H12 | 9.7° | 37.2° |
| C14 | N15 | C16 | C12 | 3.4° | 0.4° |
| N15 | C14 | N13 | H9 | 180.0° | 180.0° |
| N15 | C14 | N13 | C12 | 3.5° | 0.0° |
| C14 | N15 | C18 | H12 | 170.9° | 142.3° |
| O30 | P27 | O29 | O28 | 139.9° | 120.0° |
| O30 | P27 | O28 | H18 | 0.0° | 180.0° |
| O30 | P27 | O29 | H19 | 0.0° | 60.0° |
| O29 | P27 | O28 | H18 | 138.3° | 60.0° |
| C16 | C12 | N13 | C14 | 5.8° | 0.3° |
| C16 | C12 | N13 | C10 | 167.6° | 179.7° |
| C16 | C12 | C10 | O11 | 56.4° | 0.6° |
| C16 | C12 | C10 | N09 | 119.9° | 179.7° |
| C12 | C16 | N17 | H10 | 2.6° | 179.4° |
| C12 | C16 | N17 | H11 | 122.5° | 0.5° |
| O28 | P27 | O29 | H19 | 139.9° | 60.0° |
| C14 | N13 | C12 | C10 | 173.5° | 180.0° |
| N13 | C12 | C10 | O11 | 138.3° | 179.7° |
| N13 | C12 | C10 | N09 | 45.4° | 0.1° |
| C12 | N13 | C14 | H9 | 176.5° | 180.0° |
| C12 | C10 | O11 | N09 | 175.6° | 179.7° |
| C12 | C10 | N09 | C05 | 173.4° | 179.7° |
| C12 | C10 | N09 | H8 | 6.5° | 0.3° |
| O11 | C10 | N09 | C05 | 2.5° | 0.0° |
| O11 | C10 | N09 | H8 | 177.5° | 180.0° |
| C10 | N09 | C05 | H8 | 180.0° | 180.0° |
| C10 | N09 | C05 | C06 | 152.0° | 85.0° |
| C10 | N09 | C05 | C04 | 93.5° | 155.0° |
| C10 | N09 | C05 | H6 | 36.5° | 35.0° |
| N09 | C05 | C06 | O08 | 68.9° | 0.0° |
| N09 | C05 | C06 | C04 | 118.6° | 120.0° |
| N09 | C05 | C06 | H6 | 116.7° | 120.1° |
| N09 | C05 | C04 | H6 | 130.4° | 120.0° |
| N09 | C05 | C06 | O07 | 100.6° | 180.0° |
| N09 | C05 | C04 | C02 | 91.8° | 65.0° |
| N09 | C05 | C04 | H4 | 28.2° | 175.0° |
| N09 | C05 | C04 | H5 | 148.2° | 55.1° |
| O08 | C06 | C05 | O07 | 169.5° | 180.0° |
| O08 | C06 | C05 | C04 | 172.4° | 120.0° |
| O08 | C06 | C05 | H6 | 47.8° | 120.0° |
| O08 | C06 | O07 | H7 | 0.0° | 0.0° |
| C06 | C05 | C04 | H6 | 124.3° | 120.0° |
| C06 | C05 | C04 | C02 | 162.9° | 175.0° |
| C06 | C05 | C04 | H4 | 77.1° | 55.0° |
| C06 | C05 | C04 | H5 | 42.9° | 64.9° |
| C05 | C06 | O07 | H7 | 168.4° | 180.0° |
| C06 | C05 | N09 | H8 | 27.9° | 95.0° |
| C04 | C05 | C06 | O07 | 18.1° | 60.0° |
| C05 | C04 | C02 | O01 | 29.2° | 0.0° |
| C05 | C04 | C02 | H4 | 120.0° | 120.0° |
| C05 | C04 | C02 | H5 | 120.0° | 120.0° |
| C05 | C04 | C02 | O03 | 151.4° | 180.0° |
| C05 | C04 | H4 | H5 | 120.0° | 119.9° |
| C04 | C05 | N09 | H8 | 86.6° | 25.0° |
| O07 | C06 | C05 | H6 | 142.7° | 59.9° |
| O01 | C02 | C04 | O03 | 179.4° | 179.9° |
| O01 | C02 | O03 | H3 | 0.0° | 0.1° |
| O01 | C02 | C04 | H4 | 149.2° | 120.0° |
| O01 | C02 | C04 | H5 | 90.8° | 120.1° |
| C04 | C02 | O03 | H3 | 179.4° | 180.0° |
| C02 | C04 | H4 | H5 | 120.0° | 120.0° |
| C02 | C04 | C05 | H6 | 38.6° | 55.0° |
| O03 | C02 | C04 | H4 | 31.4° | 60.0° |
| O03 | C02 | C04 | H5 | 88.6° | 60.0° |
| H1 | C20 | C21 | H2 | 97.5° | 146.5° |
| H1 | C20 | C25 | H16 | 90.2° | 67.3° |
| H1 | C20 | C25 | H17 | 30.0° | 172.8° |
| H2 | C21 | O22 | H13 | 57.7° | 57.3° |
| H2 | C21 | C23 | H14 | 33.0° | 0.0° |
| H4 | C04 | C05 | H6 | 158.6° | 65.0° |
| H5 | C04 | C05 | H6 | 81.4° | 175.1° |
| H6 | C05 | N09 | H8 | 143.5° | 145.0° |
| H12 | C18 | C23 | H14 | 150.6° | 146.4° |
| H14 | C23 | O24 | H15 | 48.9° | 61.2° |
