OZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | P21 | doub | 1.48Å | 1.65Å | |
| O23 | P21 | sing | 1.61Å | 1.47Å | |
| P21 | O22 | sing | 1.61Å | 1.46Å | |
| P21 | O20 | sing | 1.61Å | 1.62Å | |
| O20 | B18 | sing | 1.42Å | 1.32Å | |
| B18 | C03 | sing | 1.57Å | 1.57Å | |
| B18 | O19 | sing | 1.42Å | 1.35Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | N04 | sing | 1.46Å | 1.46Å | |
| N04 | S05 | sing | 1.66Å | 1.71Å | |
| O07 | S05 | doub | 1.42Å | 1.46Å | |
| S05 | C08 | sing | 1.81Å | 1.81Å | |
| S05 | O06 | doub | 1.42Å | 1.47Å | |
| C08 | C09 | sing | 1.51Å | 1.53Å | |
| C10 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.48Å | 1.52Å | |
| O16 | C14 | doub | 1.21Å | 1.26Å | |
| C14 | O15 | sing | 1.35Å | 1.27Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| N04 | H13 | sing | 0.97Å | 1.00Å | |
| O15 | H14 | sing | 0.97Å | 0.95Å | |
| O19 | H15 | sing | 0.97Å | 0.95Å | |
| O22 | H16 | sing | 0.97Å | 0.95Å | |
| O23 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | P21 | O23 | 110.5° | 109.5° |
| O24 | P21 | O22 | 113.5° | 109.5° |
| O24 | P21 | O20 | 112.9° | 109.5° |
| O23 | P21 | O22 | 103.1° | 109.5° |
| O23 | P21 | O20 | 111.0° | 109.5° |
| P21 | O23 | H17 | 109.5° | 114.0° |
| O22 | P21 | O20 | 105.3° | 109.5° |
| P21 | O22 | H16 | 109.5° | 114.0° |
| P21 | O20 | B18 | 135.8° | 114.0° |
| O20 | B18 | C03 | 88.7° | 120.0° |
| O20 | B18 | O19 | 96.5° | 120.0° |
| C03 | B18 | O19 | 106.7° | 120.0° |
| B18 | C03 | C02 | 114.6° | 109.5° |
| B18 | C03 | N04 | 111.9° | 109.5° |
| B18 | C03 | H10 | 103.0° | 109.5° |
| B18 | O19 | H15 | 109.5° | 114.0° |
| C01 | C02 | C03 | 101.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 111.4° | 109.5° |
| C01 | C02 | H9 | 111.4° | 109.4° |
| C02 | C03 | N04 | 117.5° | 109.5° |
| C03 | C02 | H8 | 111.4° | 109.5° |
| C03 | C02 | H9 | 111.4° | 109.5° |
| C02 | C03 | H10 | 103.5° | 109.5° |
| C03 | N04 | S05 | 128.7° | 120.0° |
| N04 | C03 | H10 | 104.1° | 109.5° |
| C03 | N04 | H13 | 104.5° | 120.0° |
| N04 | S05 | O07 | 116.2° | 104.3° |
| N04 | S05 | C08 | 104.2° | 104.4° |
| N04 | S05 | O06 | 111.5° | 104.3° |
| S05 | N04 | H13 | 104.5° | 120.0° |
| O07 | S05 | C08 | 109.8° | 110.6° |
| O07 | S05 | O06 | 104.2° | 121.0° |
| C08 | S05 | O06 | 111.1° | 110.5° |
| S05 | C08 | C09 | 110.5° | 109.4° |
| S05 | C08 | H11 | 109.2° | 109.5° |
| S05 | C08 | H12 | 109.2° | 109.5° |
| C08 | C09 | C10 | 120.8° | 119.9° |
| C08 | C09 | C17 | 119.1° | 119.9° |
| C09 | C08 | H11 | 109.2° | 109.5° |
| C09 | C08 | H12 | 109.2° | 109.5° |
| C09 | C10 | C11 | 119.7° | 120.3° |
| C10 | C09 | C17 | 120.0° | 120.2° |
| C09 | C10 | H1 | 120.1° | 119.9° |
| C10 | C11 | C12 | 120.3° | 120.1° |
| C11 | C10 | H1 | 120.2° | 119.8° |
| C10 | C11 | H2 | 119.8° | 119.9° |
| C09 | C17 | C13 | 120.0° | 119.8° |
| C09 | C17 | H4 | 120.0° | 120.1° |
| C11 | C12 | C13 | 119.4° | 119.9° |
| C12 | C11 | H2 | 119.9° | 120.0° |
| C11 | C12 | H3 | 120.3° | 120.1° |
| C17 | C13 | C12 | 120.6° | 119.7° |
| C17 | C13 | C14 | 118.8° | 120.1° |
| C13 | C17 | H4 | 120.0° | 120.1° |
| C12 | C13 | C14 | 120.6° | 120.2° |
| C13 | C12 | H3 | 120.3° | 120.1° |
| C13 | C14 | O16 | 118.4° | 120.0° |
| C13 | C14 | O15 | 120.2° | 120.0° |
| O16 | C14 | O15 | 121.3° | 120.0° |
| C14 | O15 | H14 | 109.5° | 117.0° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.4° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H11 | C08 | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | P21 | O23 | O22 | 121.6° | 120.0° |
| O24 | P21 | O23 | O20 | 126.1° | 120.0° |
| O24 | P21 | O22 | O20 | 124.0° | 120.0° |
| O24 | P21 | O20 | B18 | 9.6° | 60.0° |
| O24 | P21 | O22 | H16 | 0.0° | 180.0° |
| O24 | P21 | O23 | H17 | 0.0° | 60.0° |
| O23 | P21 | O22 | O20 | 116.4° | 120.0° |
| O23 | P21 | O20 | B18 | 134.3° | 180.0° |
| O23 | P21 | O22 | H16 | 119.6° | 60.0° |
| O22 | P21 | O20 | B18 | 114.8° | 60.0° |
| O22 | P21 | O23 | H17 | 121.6° | 60.0° |
| P21 | O20 | B18 | C03 | 130.1° | 180.0° |
| P21 | O20 | B18 | O19 | 123.3° | 0.0° |
| O20 | P21 | O22 | H16 | 124.0° | 60.0° |
| O20 | P21 | O23 | H17 | 126.1° | 180.0° |
| O20 | B18 | C03 | O19 | 96.4° | 180.0° |
| O20 | B18 | C03 | C02 | 120.5° | 60.0° |
| O20 | B18 | C03 | N04 | 102.4° | 180.0° |
| O20 | B18 | C03 | H10 | 8.9° | 60.0° |
| O20 | B18 | O19 | H15 | 180.0° | 0.0° |
| B18 | C03 | C02 | C01 | 136.4° | 60.0° |
| B18 | C03 | C02 | N04 | 134.6° | 120.0° |
| B18 | C03 | C02 | H10 | 111.4° | 120.0° |
| B18 | C03 | N04 | H10 | 110.6° | 120.0° |
| B18 | C03 | N04 | S05 | 142.0° | 150.0° |
| B18 | C03 | C02 | H8 | 104.9° | 180.0° |
| B18 | C03 | C02 | H9 | 17.7° | 60.0° |
| B18 | C03 | N04 | H13 | 19.5° | 30.0° |
| C03 | B18 | O19 | H15 | 89.4° | 180.0° |
| O19 | B18 | C03 | C02 | 143.1° | 120.0° |
| O19 | B18 | C03 | N04 | 6.0° | 0.0° |
| O19 | B18 | C03 | H10 | 105.3° | 120.0° |
| C01 | C02 | C03 | H8 | 118.7° | 120.0° |
| C01 | C02 | C03 | H9 | 118.7° | 119.9° |
| C01 | C02 | C03 | N04 | 89.0° | 180.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.1° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.1° |
| C01 | C02 | H8 | H9 | 123.7° | 120.0° |
| C01 | C02 | C03 | H10 | 25.0° | 60.0° |
| C02 | C03 | N04 | H10 | 113.7° | 120.0° |
| C02 | C03 | N04 | S05 | 6.3° | 90.0° |
| C03 | C02 | C01 | H5 | 180.0° | 60.1° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | C01 | H7 | 60.0° | 180.0° |
| C03 | C02 | H8 | H9 | 123.7° | 120.0° |
| C02 | C03 | N04 | H13 | 116.2° | 90.0° |
| C03 | N04 | S05 | H13 | 122.5° | 180.0° |
| C03 | N04 | S05 | O07 | 1.4° | 178.9° |
| C03 | N04 | S05 | C08 | 119.5° | 65.0° |
| C03 | N04 | S05 | O06 | 120.6° | 51.1° |
| N04 | C03 | C02 | H8 | 29.7° | 60.0° |
| N04 | C03 | C02 | H9 | 152.3° | 60.0° |
| N04 | S05 | O07 | C08 | 117.9° | 111.7° |
| N04 | S05 | O07 | O06 | 123.1° | 116.7° |
| N04 | S05 | C08 | O06 | 120.2° | 111.6° |
| N04 | S05 | C08 | C09 | 167.4° | 180.0° |
| S05 | N04 | C03 | H10 | 107.4° | 30.0° |
| N04 | S05 | C08 | H11 | 72.4° | 60.0° |
| N04 | S05 | C08 | H12 | 47.2° | 60.0° |
| O07 | S05 | C08 | O06 | 114.7° | 136.8° |
| O07 | S05 | C08 | C09 | 67.5° | 68.4° |
| O07 | S05 | C08 | H11 | 52.6° | 51.6° |
| O07 | S05 | C08 | H12 | 172.3° | 171.7° |
| O07 | S05 | N04 | H13 | 123.9° | 1.1° |
| S05 | C08 | C09 | H11 | 120.2° | 120.0° |
| S05 | C08 | C09 | H12 | 120.2° | 120.0° |
| S05 | C08 | C09 | C10 | 63.3° | 90.0° |
| S05 | C08 | C09 | C17 | 117.4° | 90.0° |
| S05 | C08 | H11 | H12 | 119.5° | 120.0° |
| C08 | S05 | N04 | H13 | 3.0° | 115.0° |
| O06 | S05 | C08 | C09 | 47.2° | 68.4° |
| O06 | S05 | C08 | H11 | 167.4° | 171.6° |
| O06 | S05 | C08 | H12 | 73.0° | 51.6° |
| O06 | S05 | N04 | H13 | 116.9° | 128.9° |
| C08 | C09 | C10 | C17 | 179.3° | 179.9° |
| C08 | C09 | C10 | C11 | 179.0° | 180.0° |
| C08 | C09 | C17 | C13 | 179.3° | 180.0° |
| C08 | C09 | C10 | H1 | 1.0° | 0.2° |
| C08 | C09 | C17 | H4 | 0.7° | 0.0° |
| C09 | C08 | H11 | H12 | 119.5° | 120.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | C12 | 0.5° | 0.1° |
| C10 | C09 | C17 | C13 | 0.0° | 0.1° |
| C09 | C10 | C11 | H2 | 179.5° | 180.0° |
| C10 | C09 | C17 | H4 | 179.9° | 179.9° |
| C10 | C09 | C08 | H11 | 56.9° | 150.0° |
| C10 | C09 | C08 | H12 | 176.6° | 29.9° |
| C11 | C10 | C09 | C17 | 0.3° | 0.1° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.1° |
| C10 | C11 | C12 | H3 | 179.7° | 180.0° |
| C09 | C17 | C13 | H4 | 180.0° | 180.0° |
| C09 | C17 | C13 | C12 | 0.1° | 0.1° |
| C09 | C17 | C13 | C14 | 179.8° | 180.0° |
| C17 | C09 | C10 | H1 | 179.7° | 179.7° |
| C17 | C09 | C08 | H11 | 122.4° | 30.0° |
| C17 | C09 | C08 | H12 | 2.8° | 150.0° |
| C11 | C12 | C13 | C17 | 0.1° | 0.1° |
| C11 | C12 | C13 | H3 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.5° | 179.7° |
| C17 | C13 | C12 | C14 | 179.9° | 179.9° |
| C17 | C13 | C14 | O16 | 10.5° | 0.0° |
| C17 | C13 | C14 | O15 | 169.2° | 179.9° |
| C17 | C13 | C12 | H3 | 180.0° | 180.0° |
| C12 | C13 | C14 | O16 | 169.4° | 180.0° |
| C12 | C13 | C14 | O15 | 10.9° | 0.0° |
| C13 | C12 | C11 | H2 | 179.6° | 180.0° |
| C12 | C13 | C17 | H4 | 179.9° | 179.9° |
| C13 | C14 | O16 | O15 | 179.7° | 180.0° |
| C14 | C13 | C12 | H3 | 0.0° | 0.1° |
| C14 | C13 | C17 | H4 | 0.1° | 0.0° |
| C13 | C14 | O15 | H14 | 179.7° | 180.0° |
| O16 | C14 | O15 | H14 | 0.0° | 0.0° |
| H1 | C10 | C11 | H2 | 0.5° | 0.2° |
| H2 | C11 | C12 | H3 | 0.3° | 0.1° |
| H5 | C01 | H6 | H7 | 119.9° | 119.9° |
| H5 | C01 | C02 | H8 | 61.3° | 60.0° |
| H5 | C01 | C02 | H9 | 61.3° | 180.0° |
| H6 | C01 | C02 | H8 | 58.7° | 180.0° |
| H6 | C01 | C02 | H9 | 178.7° | 60.0° |
| H7 | C01 | C02 | H8 | 178.7° | 59.9° |
| H7 | C01 | C02 | H9 | 58.7° | 60.1° |
| H8 | C02 | C03 | H10 | 143.7° | 60.0° |
| H9 | C02 | C03 | H10 | 93.7° | 179.9° |
| H10 | C03 | N04 | H13 | 130.1° | 150.0° |
