ZNU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | P3 | doub | 1.48Å | 1.48Å | |
| O23 | P3 | sing | 1.61Å | 1.62Å | |
| O34 | P4 | doub | 1.48Å | 1.62Å | |
| O43 | P3 | sing | 1.61Å | 1.63Å | |
| P3 | O13 | sing | 1.61Å | 1.64Å | |
| O25 | P5 | doub | 1.48Å | 1.62Å | |
| P4 | O44 | sing | 1.61Å | 1.51Å | |
| P4 | O14 | sing | 1.61Å | 1.63Å | |
| P4 | O24 | sing | 1.61Å | 1.64Å | |
| O45 | P5 | sing | 1.61Å | 1.62Å | |
| O14 | C4 | sing | 1.43Å | 1.42Å | |
| O13 | C3 | sing | 1.43Å | 1.44Å | |
| P5 | O15 | sing | 1.61Å | 1.62Å | |
| P5 | O35 | sing | 1.61Å | 1.45Å | |
| O32 | P2 | doub | 1.48Å | 1.46Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| O15 | C5 | sing | 1.43Å | 1.47Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| O12 | P2 | sing | 1.61Å | 1.62Å | |
| O12 | C2 | sing | 1.43Å | 1.44Å | |
| P2 | O22 | sing | 1.61Å | 1.60Å | |
| P2 | O42 | sing | 1.61Å | 1.63Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| C1 | C6 | sing | 1.53Å | 1.59Å | |
| C1 | O11 | sing | 1.43Å | 1.45Å | |
| C6 | O16 | sing | 1.43Å | 1.46Å | |
| O31 | P1 | doub | 1.48Å | 1.63Å | |
| O11 | P1 | sing | 1.61Å | 1.62Å | |
| P1 | O41 | sing | 1.61Å | 1.50Å | |
| P1 | O21 | sing | 1.61Å | 1.67Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O21 | H7 | sing | 0.97Å | 0.95Å | |
| O41 | H8 | sing | 0.97Å | 0.95Å | |
| O22 | H9 | sing | 0.97Å | 0.95Å | |
| O42 | H10 | sing | 0.97Å | 0.95Å | |
| O23 | H11 | sing | 0.97Å | 0.95Å | |
| O43 | H12 | sing | 0.97Å | 0.95Å | |
| O24 | H13 | sing | 0.97Å | 0.95Å | |
| O44 | H14 | sing | 0.97Å | 0.95Å | |
| O35 | H15 | sing | 0.97Å | 0.95Å | |
| O45 | H16 | sing | 0.97Å | 0.95Å | |
| O16 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | P3 | O23 | 108.6° | 109.5° |
| O33 | P3 | O43 | 117.1° | 109.4° |
| O33 | P3 | O13 | 105.0° | 109.5° |
| O23 | P3 | O43 | 109.4° | 109.5° |
| O23 | P3 | O13 | 106.4° | 109.5° |
| P3 | O23 | H11 | 109.5° | 114.0° |
| O34 | P4 | O44 | 117.5° | 109.5° |
| O34 | P4 | O14 | 101.2° | 109.5° |
| O34 | P4 | O24 | 113.0° | 109.4° |
| O43 | P3 | O13 | 109.8° | 109.5° |
| P3 | O43 | H12 | 109.5° | 114.0° |
| P3 | O13 | C3 | 123.8° | 123.0° |
| O25 | P5 | O45 | 114.1° | 109.4° |
| O25 | P5 | O15 | 113.8° | 109.5° |
| O25 | P5 | O35 | 113.3° | 109.4° |
| O44 | P4 | O14 | 109.4° | 109.5° |
| O44 | P4 | O24 | 111.6° | 109.5° |
| P4 | O44 | H14 | 109.5° | 114.0° |
| O14 | P4 | O24 | 102.3° | 109.5° |
| P4 | O14 | C4 | 129.4° | 123.0° |
| P4 | O24 | H13 | 109.5° | 114.0° |
| O45 | P5 | O15 | 102.8° | 109.5° |
| O45 | P5 | O35 | 115.2° | 109.5° |
| P5 | O45 | H16 | 109.5° | 114.0° |
| O14 | C4 | C3 | 108.9° | 109.5° |
| O14 | C4 | C5 | 110.3° | 109.5° |
| O14 | C4 | H4 | 110.7° | 109.5° |
| O13 | C3 | C4 | 111.4° | 109.5° |
| O13 | C3 | C2 | 107.7° | 109.4° |
| O13 | C3 | H3 | 110.0° | 109.5° |
| O15 | P5 | O35 | 95.7° | 109.5° |
| P5 | O15 | C5 | 122.4° | 123.0° |
| P5 | O35 | H15 | 109.5° | 114.0° |
| O32 | P2 | O12 | 104.2° | 109.5° |
| O32 | P2 | O22 | 113.2° | 109.5° |
| O32 | P2 | O42 | 115.7° | 109.4° |
| C4 | C3 | C2 | 109.9° | 109.5° |
| C3 | C4 | C5 | 108.9° | 109.5° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C3 | C4 | H4 | 109.0° | 109.4° |
| C3 | C2 | O12 | 106.7° | 109.4° |
| C3 | C2 | C1 | 111.4° | 109.4° |
| C3 | C2 | H2 | 109.4° | 109.5° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| O15 | C5 | C4 | 110.1° | 109.4° |
| O15 | C5 | C6 | 112.3° | 109.5° |
| O15 | C5 | H5 | 110.2° | 109.5° |
| C4 | C5 | C6 | 106.0° | 109.5° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C4 | C5 | H5 | 109.2° | 109.5° |
| C5 | C6 | C1 | 108.3° | 109.5° |
| C5 | C6 | O16 | 113.5° | 109.4° |
| C6 | C5 | H5 | 109.1° | 109.5° |
| C5 | C6 | H6 | 106.9° | 109.5° |
| P2 | O12 | C2 | 124.1° | 123.0° |
| O12 | P2 | O22 | 110.7° | 109.5° |
| O12 | P2 | O42 | 95.9° | 109.4° |
| O12 | C2 | C1 | 110.2° | 109.5° |
| O12 | C2 | H2 | 110.4° | 109.5° |
| O22 | P2 | O42 | 115.0° | 109.5° |
| P2 | O22 | H9 | 109.5° | 114.0° |
| P2 | O42 | H10 | 109.5° | 114.0° |
| C2 | C1 | C6 | 112.2° | 109.5° |
| C2 | C1 | O11 | 109.6° | 109.5° |
| C2 | C1 | H1 | 107.5° | 109.5° |
| C1 | C2 | H2 | 108.7° | 109.5° |
| C6 | C1 | O11 | 111.3° | 109.5° |
| C1 | C6 | O16 | 113.3° | 109.5° |
| C6 | C1 | H1 | 107.2° | 109.5° |
| C1 | C6 | H6 | 106.5° | 109.4° |
| C1 | O11 | P1 | 116.8° | 123.0° |
| O11 | C1 | H1 | 108.9° | 109.4° |
| O16 | C6 | H6 | 107.9° | 109.5° |
| C6 | O16 | H17 | 109.5° | 114.0° |
| O31 | P1 | O11 | 108.6° | 109.5° |
| O31 | P1 | O41 | 119.8° | 109.5° |
| O31 | P1 | O21 | 108.0° | 109.4° |
| O11 | P1 | O41 | 102.3° | 109.5° |
| O11 | P1 | O21 | 106.2° | 109.4° |
| O41 | P1 | O21 | 111.0° | 109.5° |
| P1 | O41 | H8 | 109.5° | 114.0° |
| P1 | O21 | H7 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | P3 | O23 | O43 | 128.8° | 120.0° |
| O33 | P3 | O23 | O13 | 112.6° | 120.0° |
| O33 | P3 | O43 | O13 | 119.5° | 120.0° |
| O33 | P3 | O13 | C3 | 105.1° | 55.0° |
| O33 | P3 | O23 | H11 | 0.0° | 60.0° |
| O33 | P3 | O43 | H12 | 0.0° | 180.0° |
| O23 | P3 | O43 | O13 | 116.5° | 120.0° |
| O23 | P3 | O13 | C3 | 9.9° | 175.0° |
| O23 | P3 | O43 | H12 | 124.0° | 60.0° |
| O34 | P4 | O44 | O14 | 114.6° | 120.0° |
| O34 | P4 | O44 | O24 | 132.8° | 120.0° |
| O34 | P4 | O14 | O24 | 116.8° | 119.9° |
| O34 | P4 | O14 | C4 | 145.6° | 55.0° |
| O34 | P4 | O24 | H13 | 0.0° | 60.1° |
| O34 | P4 | O44 | H14 | 0.0° | 180.0° |
| O43 | P3 | O13 | C3 | 128.3° | 65.0° |
| O43 | P3 | O23 | H11 | 128.8° | 59.9° |
| P3 | O13 | C3 | C4 | 115.4° | 120.0° |
| P3 | O13 | C3 | C2 | 124.0° | 120.0° |
| P3 | O13 | C3 | H3 | 5.2° | 0.0° |
| O13 | P3 | O23 | H11 | 112.6° | 179.9° |
| O13 | P3 | O43 | H12 | 119.5° | 60.0° |
| O25 | P5 | O45 | O15 | 123.7° | 120.0° |
| O25 | P5 | O45 | O35 | 133.6° | 119.9° |
| O25 | P5 | O15 | O35 | 118.6° | 120.0° |
| O25 | P5 | O15 | C5 | 76.8° | 55.0° |
| O25 | P5 | O35 | H15 | 0.0° | 60.0° |
| O25 | P5 | O45 | H16 | 0.0° | 180.0° |
| O44 | P4 | O14 | O24 | 118.5° | 120.0° |
| O44 | P4 | O14 | C4 | 89.7° | 65.0° |
| O44 | P4 | O24 | H13 | 135.0° | 59.9° |
| P4 | O14 | C4 | C3 | 148.6° | 120.0° |
| P4 | O14 | C4 | C5 | 91.9° | 120.0° |
| P4 | O14 | C4 | H4 | 28.8° | 0.0° |
| O14 | P4 | O24 | H13 | 108.0° | 180.0° |
| O14 | P4 | O44 | H14 | 114.6° | 60.0° |
| O24 | P4 | O14 | C4 | 28.7° | 174.9° |
| O24 | P4 | O44 | H14 | 132.9° | 60.0° |
| O45 | P5 | O15 | O35 | 117.5° | 120.0° |
| O45 | P5 | O15 | C5 | 159.2° | 65.0° |
| O45 | P5 | O35 | H15 | 133.9° | 59.9° |
| O14 | C4 | C3 | O13 | 55.6° | 60.0° |
| O14 | C4 | C3 | C5 | 120.3° | 120.0° |
| O14 | C4 | C3 | H4 | 120.9° | 120.0° |
| O14 | C4 | C3 | C2 | 174.8° | 180.0° |
| O14 | C4 | C5 | O15 | 66.5° | 60.0° |
| O14 | C4 | C5 | H4 | 121.7° | 120.0° |
| O14 | C4 | C5 | C6 | 171.8° | 180.0° |
| O14 | C4 | C3 | H3 | 65.8° | 60.0° |
| O14 | C4 | C5 | H5 | 54.5° | 60.0° |
| O13 | C3 | C4 | C2 | 119.3° | 120.0° |
| O13 | C3 | C4 | H3 | 121.4° | 120.0° |
| O13 | C3 | C2 | H3 | 119.4° | 120.0° |
| O13 | C3 | C4 | C5 | 175.9° | 180.0° |
| O13 | C3 | C2 | O12 | 63.6° | 60.0° |
| O13 | C3 | C2 | C1 | 176.0° | 180.0° |
| O13 | C3 | C2 | H2 | 55.8° | 60.0° |
| O13 | C3 | C4 | H4 | 65.3° | 60.0° |
| P5 | O15 | C5 | C4 | 126.2° | 120.0° |
| P5 | O15 | C5 | C6 | 116.1° | 120.0° |
| P5 | O15 | C5 | H5 | 5.7° | 0.0° |
| O15 | P5 | O35 | H15 | 119.0° | 180.0° |
| O15 | P5 | O45 | H16 | 123.7° | 60.0° |
| O35 | P5 | O15 | C5 | 41.7° | 175.0° |
| O35 | P5 | O45 | H16 | 133.6° | 60.0° |
| O32 | P2 | O12 | O22 | 122.0° | 120.1° |
| O32 | P2 | O12 | O42 | 118.4° | 119.9° |
| O32 | P2 | O12 | C2 | 142.5° | 55.0° |
| O32 | P2 | O22 | O42 | 136.2° | 120.0° |
| O32 | P2 | O22 | H9 | 0.0° | 59.9° |
| O32 | P2 | O42 | H10 | 0.0° | 180.0° |
| C4 | C3 | C2 | H3 | 119.1° | 120.0° |
| C3 | C4 | C5 | O15 | 52.9° | 60.0° |
| C3 | C4 | C5 | H4 | 118.8° | 120.0° |
| C3 | C4 | C5 | C6 | 68.7° | 60.0° |
| C4 | C3 | C2 | O12 | 174.9° | 180.0° |
| C4 | C3 | C2 | C1 | 54.6° | 60.0° |
| C4 | C3 | C2 | H2 | 65.7° | 60.0° |
| C3 | C4 | C5 | H5 | 174.0° | 180.0° |
| C2 | C3 | C4 | C5 | 64.9° | 60.0° |
| C3 | C2 | O12 | P2 | 106.7° | 120.0° |
| C3 | C2 | O12 | C1 | 121.2° | 120.0° |
| C3 | C2 | O12 | H2 | 118.7° | 120.0° |
| C3 | C2 | C1 | H2 | 120.6° | 120.0° |
| C3 | C2 | C1 | C6 | 50.7° | 60.0° |
| C3 | C2 | C1 | O11 | 174.8° | 180.0° |
| C3 | C2 | C1 | H1 | 67.0° | 60.0° |
| C2 | C3 | C4 | H4 | 54.0° | 60.0° |
| O15 | C5 | C4 | C6 | 121.6° | 120.0° |
| O15 | C5 | C4 | H5 | 121.1° | 120.0° |
| O15 | C5 | C6 | H5 | 122.4° | 120.0° |
| O15 | C5 | C6 | C1 | 57.5° | 60.0° |
| O15 | C5 | C6 | O16 | 69.3° | 60.0° |
| O15 | C5 | C4 | H4 | 171.8° | 180.0° |
| O15 | C5 | C6 | H6 | 171.9° | 180.0° |
| C4 | C5 | C6 | H5 | 117.4° | 120.0° |
| C4 | C5 | C6 | C1 | 62.7° | 60.0° |
| C4 | C5 | C6 | O16 | 170.5° | 180.0° |
| C5 | C4 | C3 | H3 | 54.5° | 60.0° |
| C4 | C5 | C6 | H6 | 51.7° | 60.0° |
| C5 | C6 | C1 | C2 | 54.9° | 60.0° |
| C5 | C6 | C1 | O16 | 126.9° | 120.0° |
| C5 | C6 | C1 | H6 | 114.7° | 120.0° |
| C5 | C6 | C1 | O11 | 178.2° | 179.9° |
| C5 | C6 | O16 | H6 | 118.2° | 120.0° |
| C5 | C6 | C1 | H1 | 62.9° | 60.0° |
| C6 | C5 | C4 | H4 | 50.1° | 59.9° |
| C5 | C6 | O16 | H17 | 180.0° | 60.1° |
| O12 | P2 | O22 | O42 | 107.3° | 120.0° |
| P2 | O12 | C2 | C1 | 132.1° | 120.0° |
| P2 | O12 | C2 | H2 | 12.0° | 0.0° |
| O12 | P2 | O22 | H9 | 116.6° | 180.0° |
| O12 | P2 | O42 | H10 | 108.9° | 60.0° |
| C2 | O12 | P2 | O22 | 20.5° | 175.1° |
| C2 | O12 | P2 | O42 | 99.1° | 64.9° |
| O12 | C2 | C1 | H2 | 121.1° | 120.1° |
| O12 | C2 | C1 | C6 | 169.0° | 180.0° |
| O12 | C2 | C1 | O11 | 66.9° | 60.0° |
| O12 | C2 | C1 | H1 | 51.3° | 59.9° |
| O12 | C2 | C3 | H3 | 55.8° | 60.0° |
| O22 | P2 | O42 | H10 | 135.0° | 60.0° |
| O42 | P2 | O22 | H9 | 136.2° | 60.0° |
| C2 | C1 | C6 | O11 | 123.2° | 120.0° |
| C2 | C1 | C6 | H1 | 117.8° | 120.0° |
| C2 | C1 | O11 | H1 | 117.4° | 120.0° |
| C2 | C1 | C6 | O16 | 178.2° | 180.0° |
| C2 | C1 | O11 | P1 | 120.0° | 119.9° |
| C1 | C2 | C3 | H3 | 64.6° | 60.0° |
| C2 | C1 | C6 | H6 | 59.7° | 60.0° |
| C6 | C1 | O11 | H1 | 118.0° | 120.0° |
| C1 | C6 | O16 | H6 | 117.7° | 120.0° |
| C6 | C1 | O11 | P1 | 115.3° | 120.0° |
| C6 | C1 | C2 | H2 | 69.9° | 60.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C1 | C6 | O16 | H17 | 55.9° | 180.0° |
| O11 | C1 | C6 | O16 | 55.0° | 60.0° |
| C1 | O11 | P1 | O31 | 48.0° | 54.9° |
| C1 | O11 | P1 | O41 | 79.6° | 175.0° |
| C1 | O11 | P1 | O21 | 163.9° | 65.0° |
| O11 | C1 | C2 | H2 | 54.2° | 60.0° |
| O11 | C1 | C6 | H6 | 63.5° | 60.0° |
| O16 | C6 | C1 | H1 | 64.0° | 60.0° |
| O16 | C6 | C5 | H5 | 53.1° | 60.0° |
| O31 | P1 | O11 | O41 | 127.6° | 120.0° |
| O31 | P1 | O11 | O21 | 115.9° | 120.0° |
| O31 | P1 | O41 | O21 | 126.9° | 120.0° |
| O31 | P1 | O21 | H7 | 0.0° | 180.0° |
| O31 | P1 | O41 | H8 | 0.0° | 60.0° |
| O11 | P1 | O41 | O21 | 113.0° | 120.0° |
| P1 | O11 | C1 | H1 | 2.6° | 0.0° |
| O11 | P1 | O21 | H7 | 116.3° | 60.0° |
| O11 | P1 | O41 | H8 | 120.1° | 180.0° |
| O41 | P1 | O21 | H7 | 133.2° | 60.0° |
| O21 | P1 | O41 | H8 | 127.0° | 60.0° |
| H1 | C1 | C2 | H2 | 172.4° | 180.0° |
| H1 | C1 | C6 | H6 | 177.5° | 180.0° |
| H2 | C2 | C3 | H3 | 175.2° | 180.0° |
| H3 | C3 | C4 | H4 | 173.3° | 180.0° |
| H4 | C4 | C5 | H5 | 67.2° | 60.0° |
| H5 | C5 | C6 | H6 | 65.7° | 60.0° |
| H6 | C6 | O16 | H17 | 61.8° | 60.0° |
