5IP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O46 | P6 | sing | 1.62Å | 1.57Å | |
| O46 | HO46 | sing | 0.98Å | 0.95Å | |
| P6 | O36 | doub | 1.50Å | 1.59Å | |
| P6 | O16 | sing | 1.61Å | 1.65Å | |
| P6 | O26 | sing | 1.62Å | 1.54Å | |
| O26 | HO26 | sing | 0.98Å | 0.95Å | |
| O16 | C6 | sing | 1.43Å | 1.48Å | |
| C6 | C1 | sing | 1.54Å | 1.49Å | |
| C6 | C5 | sing | 1.54Å | 1.50Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C1 | C2 | sing | 1.54Å | 1.57Å | |
| C1 | O11 | sing | 1.43Å | 1.43Å | |
| C1 | H1 | sing | 1.10Å | 1.10Å | |
| O11 | P1 | sing | 1.61Å | 1.63Å | |
| P1 | O41 | doub | 1.50Å | 1.52Å | |
| P1 | O31 | sing | 1.62Å | 1.52Å | |
| P1 | O21 | sing | 1.62Å | 1.52Å | |
| O31 | HO31 | sing | 0.98Å | 0.95Å | |
| O21 | HO21 | sing | 0.98Å | 0.95Å | |
| C5 | C4 | sing | 1.54Å | 1.63Å | |
| C5 | O15 | sing | 1.43Å | 1.30Å | |
| C5 | H5 | sing | 1.10Å | 1.10Å | |
| O15 | P5 | sing | 1.61Å | 1.61Å | |
| P5 | O45 | doub | 1.50Å | 1.52Å | |
| P5 | O35 | sing | 1.62Å | 1.51Å | |
| P5 | O25 | sing | 1.62Å | 1.89Å | |
| O35 | HO35 | sing | 0.98Å | 0.95Å | |
| O25 | HO25 | sing | 0.98Å | 0.95Å | |
| C4 | C3 | sing | 1.54Å | 1.49Å | |
| C4 | O14 | sing | 1.43Å | 1.50Å | |
| C4 | H4 | sing | 1.10Å | 1.10Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C3 | O13 | sing | 1.43Å | 1.45Å | |
| C3 | C2 | sing | 1.53Å | 1.57Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| O13 | P3 | sing | 1.61Å | 1.59Å | |
| P3 | O43 | doub | 1.50Å | 1.52Å | |
| P3 | O23 | sing | 1.62Å | 1.53Å | |
| P3 | O33 | sing | 1.62Å | 1.53Å | |
| O33 | HO33 | sing | 0.98Å | 0.95Å | |
| O23 | HO23 | sing | 0.98Å | 0.95Å | |
| C2 | O12 | sing | 1.43Å | 1.38Å | |
| C2 | H2 | sing | 1.10Å | 1.10Å | |
| O12 | P2 | sing | 1.61Å | 1.60Å | |
| P2 | O32 | doub | 1.50Å | 1.54Å | |
| P2 | O42 | sing | 1.62Å | 1.56Å | |
| P2 | O22 | sing | 1.62Å | 1.53Å | |
| O22 | HO22 | sing | 0.98Å | 0.95Å | |
| O42 | HO42 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P6 | O46 | HO46 | 109.5° | 118.9° |
| O46 | P6 | O36 | 113.3° | 115.3° |
| O46 | P6 | O16 | 104.1° | 103.9° |
| O46 | P6 | O26 | 98.9° | 103.3° |
| O36 | P6 | O16 | 100.9° | 115.2° |
| O36 | P6 | O26 | 124.7° | 115.0° |
| O16 | P6 | O26 | 113.7° | 102.5° |
| P6 | O16 | C6 | 110.5° | 118.1° |
| P6 | O26 | HO26 | 109.5° | 118.9° |
| O16 | C6 | C1 | 106.0° | 109.4° |
| O16 | C6 | C5 | 110.3° | 108.6° |
| O16 | C6 | H6 | 112.2° | 107.7° |
| C1 | C6 | C5 | 112.3° | 113.0° |
| C1 | C6 | H6 | 110.2° | 109.0° |
| C6 | C1 | C2 | 115.8° | 111.1° |
| C6 | C1 | O11 | 105.7° | 108.8° |
| C6 | C1 | H1 | 112.7° | 110.4° |
| C5 | C6 | H6 | 105.9° | 109.0° |
| C6 | C5 | C4 | 126.5° | 113.7° |
| C6 | C5 | O15 | 115.3° | 109.7° |
| C6 | C5 | H5 | 87.8° | 108.3° |
| C2 | C1 | O11 | 120.3° | 110.8° |
| C2 | C1 | H1 | 94.6° | 108.8° |
| C1 | C2 | C3 | 128.3° | 112.9° |
| C1 | C2 | O12 | 84.8° | 110.1° |
| C1 | C2 | H2 | 113.9° | 108.9° |
| O11 | C1 | H1 | 107.2° | 106.8° |
| C1 | O11 | P1 | 141.6° | 118.1° |
| O11 | P1 | O41 | 101.3° | 115.1° |
| O11 | P1 | O31 | 110.5° | 103.8° |
| O11 | P1 | O21 | 96.5° | 102.6° |
| O41 | P1 | O31 | 114.8° | 115.3° |
| O41 | P1 | O21 | 117.6° | 115.0° |
| O31 | P1 | O21 | 113.3° | 103.3° |
| P1 | O31 | HO31 | 109.5° | 119.0° |
| P1 | O21 | HO21 | 109.5° | 119.0° |
| C4 | C5 | O15 | 107.0° | 109.8° |
| C4 | C5 | H5 | 100.7° | 108.3° |
| C5 | C4 | C3 | 109.2° | 113.0° |
| C5 | C4 | O14 | 112.9° | 108.7° |
| C5 | C4 | H4 | 105.4° | 108.9° |
| O15 | C5 | H5 | 117.4° | 106.8° |
| C5 | O15 | P5 | 133.2° | 118.1° |
| O15 | P5 | O45 | 119.9° | 115.2° |
| O15 | P5 | O35 | 79.7° | 103.8° |
| O15 | P5 | O25 | 101.4° | 102.5° |
| O45 | P5 | O35 | 124.8° | 115.3° |
| O45 | P5 | O25 | 114.5° | 115.0° |
| O35 | P5 | O25 | 109.8° | 103.3° |
| P5 | O35 | HO35 | 109.5° | 118.9° |
| P5 | O25 | HO25 | 109.5° | 118.9° |
| C3 | C4 | O14 | 102.5° | 109.4° |
| C3 | C4 | H4 | 115.3° | 109.0° |
| C4 | C3 | O13 | 100.4° | 108.8° |
| C4 | C3 | C2 | 108.6° | 111.2° |
| C4 | C3 | H3 | 118.5° | 110.3° |
| O14 | C4 | H4 | 111.8° | 107.7° |
| C4 | O14 | HO14 | 109.5° | 106.3° |
| O13 | C3 | C2 | 116.8° | 110.8° |
| O13 | C3 | H3 | 110.6° | 106.7° |
| C3 | O13 | P3 | 122.0° | 118.2° |
| C2 | C3 | H3 | 102.7° | 108.9° |
| C3 | C2 | O12 | 107.3° | 109.1° |
| C3 | C2 | H2 | 94.1° | 108.9° |
| O13 | P3 | O43 | 109.2° | 115.2° |
| O13 | P3 | O23 | 95.5° | 102.6° |
| O13 | P3 | O33 | 106.9° | 103.8° |
| O43 | P3 | O23 | 111.8° | 114.9° |
| O43 | P3 | O33 | 116.0° | 115.3° |
| O23 | P3 | O33 | 115.3° | 103.3° |
| P3 | O23 | HO23 | 109.5° | 118.9° |
| P3 | O33 | HO33 | 109.5° | 118.9° |
| O12 | C2 | H2 | 133.1° | 106.7° |
| C2 | O12 | P2 | 114.4° | 118.1° |
| O12 | P2 | O32 | 108.5° | 115.2° |
| O12 | P2 | O42 | 100.8° | 102.5° |
| O12 | P2 | O22 | 116.9° | 103.9° |
| O32 | P2 | O42 | 114.3° | 115.0° |
| O32 | P2 | O22 | 103.6° | 115.3° |
| O42 | P2 | O22 | 113.2° | 103.3° |
| P2 | O42 | HO42 | 109.5° | 118.9° |
| P2 | O22 | HO22 | 109.5° | 118.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O46 | P6 | O36 | O16 | 110.7° | 121.1° |
| O46 | P6 | O36 | O26 | 120.2° | 120.0° |
| O46 | P6 | O16 | O26 | 106.6° | 107.3° |
| O46 | P6 | O26 | HO26 | 4.5° | 78.5° |
| O46 | P6 | O16 | C6 | 146.2° | 172.9° |
| HO46 | O46 | P6 | O36 | 46.3° | 48.8° |
| HO46 | O46 | P6 | O16 | 62.5° | 175.9° |
| HO46 | O46 | P6 | O26 | 179.8° | 77.5° |
| O36 | P6 | O16 | O26 | 135.8° | 125.6° |
| O36 | P6 | O26 | HO26 | 122.0° | 47.9° |
| O36 | P6 | O16 | C6 | 28.6° | 60.0° |
| O16 | P6 | O26 | HO26 | 114.3° | 173.7° |
| P6 | O16 | C6 | C1 | 117.8° | 56.2° |
| P6 | O16 | C6 | C5 | 120.3° | 180.0° |
| P6 | O16 | C6 | H6 | 2.6° | 62.2° |
| O26 | P6 | O16 | C6 | 107.2° | 65.6° |
| O16 | C6 | C1 | C5 | 120.6° | 121.2° |
| O16 | C6 | C1 | H6 | 121.6° | 117.5° |
| O16 | C6 | C5 | H6 | 121.6° | 117.0° |
| O16 | C6 | C1 | C2 | 130.9° | 70.0° |
| O16 | C6 | C1 | O11 | 5.0° | 167.7° |
| O16 | C6 | C1 | H1 | 121.8° | 50.8° |
| O16 | C6 | C5 | C4 | 148.7° | 73.0° |
| O16 | C6 | C5 | O15 | 72.4° | 163.7° |
| O16 | C6 | C5 | H5 | 47.0° | 47.4° |
| C1 | C6 | C5 | H6 | 120.3° | 121.4° |
| C6 | C1 | C2 | O11 | 129.1° | 121.1° |
| C6 | C1 | C2 | H1 | 117.9° | 121.8° |
| C6 | C1 | O11 | H1 | 120.4° | 119.2° |
| C6 | C1 | O11 | P1 | 155.7° | 60.1° |
| C1 | C6 | C5 | C4 | 30.7° | 48.6° |
| C1 | C6 | C5 | O15 | 169.6° | 74.7° |
| C1 | C6 | C5 | H5 | 71.0° | 169.0° |
| C6 | C1 | C2 | C3 | 13.8° | 55.1° |
| C6 | C1 | C2 | O12 | 94.1° | 177.4° |
| C6 | C1 | C2 | H2 | 130.6° | 66.0° |
| C5 | C6 | C1 | C2 | 10.3° | 51.1° |
| C5 | C6 | C1 | O11 | 125.6° | 71.1° |
| C5 | C6 | C1 | H1 | 117.6° | 171.9° |
| C6 | C5 | C4 | O15 | 141.6° | 123.2° |
| C6 | C5 | C4 | H5 | 95.2° | 120.5° |
| C6 | C5 | O15 | H5 | 101.4° | 117.2° |
| C6 | C5 | O15 | P5 | 109.4° | 174.5° |
| C6 | C5 | C4 | C3 | 50.1° | 48.6° |
| C6 | C5 | C4 | O14 | 163.5° | 73.0° |
| C6 | C5 | C4 | H4 | 74.3° | 169.9° |
| H6 | C6 | C1 | C2 | 107.5° | 172.5° |
| H6 | C6 | C1 | O11 | 116.6° | 50.2° |
| H6 | C6 | C1 | H1 | 0.2° | 66.7° |
| H6 | C6 | C5 | C4 | 89.7° | 169.9° |
| H6 | C6 | C5 | O15 | 49.2° | 46.7° |
| H6 | C6 | C5 | H5 | 168.6° | 69.6° |
| C2 | C1 | O11 | H1 | 106.1° | 118.3° |
| C2 | C1 | O11 | P1 | 70.9° | 177.5° |
| C1 | C2 | C3 | C4 | 32.4° | 55.2° |
| C1 | C2 | C3 | O13 | 144.9° | 65.9° |
| C1 | C2 | C3 | O12 | 97.2° | 122.8° |
| C1 | C2 | C3 | H2 | 125.1° | 121.1° |
| C1 | C2 | C3 | H3 | 94.0° | 176.9° |
| C1 | C2 | O12 | H2 | 118.2° | 118.0° |
| C1 | C2 | O12 | P2 | 113.9° | 55.6° |
| C1 | O11 | P1 | O41 | 71.6° | 60.0° |
| C1 | O11 | P1 | O31 | 50.6° | 173.0° |
| C1 | O11 | P1 | O21 | 168.5° | 65.6° |
| O11 | C1 | C2 | C3 | 115.3° | 66.0° |
| O11 | C1 | C2 | O12 | 136.7° | 56.2° |
| O11 | C1 | C2 | H2 | 1.5° | 172.9° |
| H1 | C1 | O11 | P1 | 35.2° | 59.1° |
| H1 | C1 | C2 | C3 | 131.8° | 176.9° |
| H1 | C1 | C2 | O12 | 23.8° | 60.9° |
| H1 | C1 | C2 | H2 | 111.5° | 55.8° |
| O11 | P1 | O41 | O31 | 119.2° | 120.9° |
| O11 | P1 | O41 | O21 | 103.6° | 119.0° |
| O11 | P1 | O31 | O21 | 107.0° | 106.8° |
| O11 | P1 | O31 | HO31 | 71.6° | 175.7° |
| O11 | P1 | O21 | HO21 | 178.6° | 173.8° |
| O41 | P1 | O31 | O21 | 139.1° | 126.3° |
| O41 | P1 | O31 | HO31 | 174.5° | 48.8° |
| O41 | P1 | O21 | HO21 | 72.1° | 48.0° |
| O31 | P1 | O21 | HO21 | 65.7° | 78.5° |
| O21 | P1 | O31 | HO31 | 35.4° | 77.5° |
| C4 | C5 | O15 | H5 | 112.1° | 117.2° |
| C4 | C5 | O15 | P5 | 104.1° | 60.0° |
| C5 | C4 | C3 | O14 | 119.9° | 121.2° |
| C5 | C4 | C3 | H4 | 118.4° | 121.2° |
| C5 | C4 | O14 | H4 | 118.6° | 117.9° |
| C5 | C4 | O14 | HO14 | 154.2° | 159.1° |
| C5 | C4 | C3 | O13 | 165.4° | 71.1° |
| C5 | C4 | C3 | C2 | 42.4° | 51.2° |
| C5 | C4 | C3 | H3 | 74.1° | 172.2° |
| C5 | O15 | P5 | O45 | 60.1° | 60.0° |
| C5 | O15 | P5 | O35 | 175.5° | 173.0° |
| C5 | O15 | P5 | O25 | 67.1° | 65.7° |
| O15 | C5 | C4 | C3 | 168.3° | 74.7° |
| O15 | C5 | C4 | O14 | 54.9° | 163.7° |
| O15 | C5 | C4 | H4 | 67.3° | 46.6° |
| H5 | C5 | O15 | P5 | 8.0° | 57.3° |
| H5 | C5 | C4 | C3 | 45.1° | 169.0° |
| H5 | C5 | C4 | O14 | 68.2° | 47.4° |
| H5 | C5 | C4 | H4 | 169.5° | 69.7° |
| O15 | P5 | O45 | O35 | 98.6° | 121.0° |
| O15 | P5 | O45 | O25 | 120.9° | 118.9° |
| O15 | P5 | O35 | O25 | 98.5° | 106.7° |
| O15 | P5 | O35 | HO35 | 156.4° | 175.8° |
| O15 | P5 | O25 | HO25 | 26.4° | 173.8° |
| O45 | P5 | O35 | O25 | 142.0° | 126.4° |
| O45 | P5 | O35 | HO35 | 84.2° | 48.8° |
| O45 | P5 | O25 | HO25 | 104.3° | 48.1° |
| O35 | P5 | O25 | HO25 | 109.5° | 78.5° |
| O25 | P5 | O35 | HO35 | 57.9° | 77.5° |
| C3 | C4 | O14 | H4 | 124.1° | 118.4° |
| C3 | C4 | O14 | HO14 | 36.9° | 35.3° |
| C4 | C3 | O13 | C2 | 117.1° | 122.5° |
| C4 | C3 | O13 | H3 | 126.0° | 119.0° |
| C4 | C3 | C2 | H3 | 126.3° | 121.7° |
| C4 | C3 | O13 | P3 | 164.7° | 180.0° |
| C4 | C3 | C2 | O12 | 64.8° | 178.0° |
| C4 | C3 | C2 | H2 | 157.5° | 65.9° |
| O14 | C4 | C3 | O13 | 74.6° | 167.7° |
| O14 | C4 | C3 | C2 | 162.4° | 70.0° |
| O14 | C4 | C3 | H3 | 45.8° | 51.0° |
| H4 | C4 | O14 | HO14 | 87.2° | 83.0° |
| H4 | C4 | C3 | O13 | 47.0° | 50.2° |
| H4 | C4 | C3 | C2 | 76.0° | 172.5° |
| H4 | C4 | C3 | H3 | 167.5° | 66.6° |
| O13 | C3 | C2 | H3 | 121.2° | 117.1° |
| C3 | O13 | P3 | O43 | 124.4° | 60.0° |
| C3 | O13 | P3 | O23 | 120.3° | 65.7° |
| C3 | O13 | P3 | O33 | 1.8° | 173.0° |
| O13 | C3 | C2 | O12 | 47.7° | 56.9° |
| O13 | C3 | C2 | H2 | 90.0° | 172.9° |
| C2 | C3 | O13 | P3 | 78.2° | 57.5° |
| C3 | C2 | O12 | H2 | 113.2° | 117.5° |
| C3 | C2 | O12 | P2 | 117.5° | 180.0° |
| H3 | C3 | O13 | P3 | 38.7° | 61.0° |
| H3 | C3 | C2 | O12 | 168.9° | 60.3° |
| H3 | C3 | C2 | H2 | 31.1° | 55.8° |
| O13 | P3 | O43 | O23 | 104.3° | 119.0° |
| O13 | P3 | O43 | O33 | 120.7° | 121.0° |
| O13 | P3 | O23 | O33 | 111.6° | 107.7° |
| O13 | P3 | O33 | HO33 | 146.3° | 175.7° |
| O13 | P3 | O23 | HO23 | 42.0° | 173.8° |
| O43 | P3 | O23 | O33 | 135.3° | 126.5° |
| O43 | P3 | O33 | HO33 | 24.3° | 48.8° |
| O43 | P3 | O23 | HO23 | 155.2° | 48.0° |
| O23 | P3 | O33 | HO33 | 109.1° | 77.5° |
| O33 | P3 | O23 | HO23 | 69.5° | 78.5° |
| C2 | O12 | P2 | O32 | 35.8° | 60.0° |
| C2 | O12 | P2 | O42 | 156.2° | 65.6° |
| C2 | O12 | P2 | O22 | 80.8° | 172.9° |
| H2 | C2 | O12 | P2 | 4.4° | 62.4° |
| O12 | P2 | O32 | O42 | 111.6° | 118.9° |
| O12 | P2 | O32 | O22 | 124.8° | 121.1° |
| O12 | P2 | O42 | O22 | 125.6° | 107.8° |
| O12 | P2 | O22 | HO22 | 179.8° | 175.7° |
| O12 | P2 | O42 | HO42 | 4.2° | 173.8° |
| O32 | P2 | O42 | O22 | 118.3° | 126.5° |
| O32 | P2 | O22 | HO22 | 60.5° | 48.7° |
| O32 | P2 | O42 | HO42 | 120.3° | 48.0° |
| O42 | P2 | O22 | HO22 | 63.8° | 77.6° |
| O22 | P2 | O42 | HO42 | 121.3° | 78.5° |
