4MY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C1 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O12 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O13 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O23 | P3 | doub | 1.48Å | 1.51Å | |
| P3 | O13 | sing | 1.61Å | 1.62Å | |
| P3 | O43 | sing | 1.61Å | 1.52Å | |
| P3 | O33 | sing | 1.61Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | O14 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O44 | P4 | doub | 1.48Å | 1.51Å | |
| O14 | P4 | sing | 1.61Å | 1.62Å | |
| P4 | O24 | sing | 1.61Å | 1.52Å | |
| P4 | O34 | sing | 1.61Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | O15 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O15 | P5 | sing | 1.61Å | 1.62Å | |
| O35 | P5 | doub | 1.48Å | 1.51Å | |
| P5 | O25 | sing | 1.61Å | 1.52Å | |
| P5 | O45 | sing | 1.61Å | 1.51Å | |
| C6 | O16 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O46 | P6 | doub | 1.48Å | 1.52Å | |
| O26 | P6 | sing | 1.61Å | 1.51Å | |
| P6 | O16 | sing | 1.61Å | 1.62Å | |
| P6 | O36 | sing | 1.61Å | 1.51Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| O12 | HO12 | sing | 0.97Å | 0.95Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| O25 | HO25 | sing | 0.97Å | 0.95Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| O36 | HO36 | sing | 0.97Å | 0.95Å | |
| O43 | HO43 | sing | 0.97Å | 0.95Å | |
| O45 | HO45 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C1 | C2 | 109.9° | 109.5° |
| O11 | C1 | C6 | 111.3° | 109.5° |
| O11 | C1 | H1 | 109.0° | 109.5° |
| C1 | O11 | HO11 | 109.5° | 114.0° |
| C2 | C1 | C6 | 111.1° | 109.5° |
| C2 | C1 | H1 | 107.8° | 109.4° |
| C1 | C2 | O12 | 110.6° | 109.4° |
| C1 | C2 | C3 | 110.4° | 109.5° |
| C1 | C2 | H2 | 108.3° | 109.5° |
| C6 | C1 | H1 | 107.7° | 109.5° |
| C1 | C6 | C5 | 111.3° | 109.5° |
| C1 | C6 | O16 | 111.1° | 109.5° |
| C1 | C6 | H6 | 107.7° | 109.5° |
| O12 | C2 | C3 | 109.8° | 109.5° |
| O12 | C2 | H2 | 109.5° | 109.5° |
| C2 | O12 | HO12 | 109.5° | 114.0° |
| C3 | C2 | H2 | 108.3° | 109.5° |
| C2 | C3 | O13 | 109.5° | 109.5° |
| C2 | C3 | C4 | 112.8° | 109.5° |
| C2 | C3 | H3 | 108.7° | 109.5° |
| O13 | C3 | C4 | 107.2° | 109.5° |
| O13 | C3 | H3 | 110.1° | 109.4° |
| C3 | O13 | P3 | 122.1° | 123.0° |
| C4 | C3 | H3 | 108.7° | 109.5° |
| C3 | C4 | C5 | 113.9° | 109.4° |
| C3 | C4 | O14 | 107.6° | 109.5° |
| C3 | C4 | H4 | 107.6° | 109.5° |
| O23 | P3 | O13 | 102.4° | 109.5° |
| O23 | P3 | O43 | 113.4° | 109.5° |
| O23 | P3 | O33 | 115.0° | 109.5° |
| O13 | P3 | O43 | 104.2° | 109.5° |
| O13 | P3 | O33 | 104.5° | 109.4° |
| O43 | P3 | O33 | 115.3° | 109.5° |
| P3 | O43 | HO43 | 109.5° | 114.0° |
| P3 | O33 | HO33 | 109.5° | 114.0° |
| C5 | C4 | O14 | 111.1° | 109.5° |
| C5 | C4 | H4 | 107.6° | 109.5° |
| C4 | C5 | C6 | 111.8° | 109.5° |
| C4 | C5 | O15 | 108.5° | 109.5° |
| C4 | C5 | H5 | 108.9° | 109.5° |
| O14 | C4 | H4 | 108.9° | 109.5° |
| C4 | O14 | P4 | 122.2° | 123.0° |
| O44 | P4 | O14 | 104.8° | 109.5° |
| O44 | P4 | O24 | 113.3° | 109.5° |
| O44 | P4 | O34 | 113.9° | 109.4° |
| O14 | P4 | O24 | 105.6° | 109.5° |
| O14 | P4 | O34 | 103.6° | 109.5° |
| O24 | P4 | O34 | 114.3° | 109.5° |
| P4 | O24 | HO24 | 109.5° | 114.1° |
| P4 | O34 | HO34 | 109.5° | 114.0° |
| C6 | C5 | O15 | 108.4° | 109.4° |
| C6 | C5 | H5 | 108.9° | 109.5° |
| C5 | C6 | O16 | 109.8° | 109.4° |
| C5 | C6 | H6 | 107.7° | 109.5° |
| O15 | C5 | H5 | 110.3° | 109.4° |
| C5 | O15 | P5 | 123.6° | 123.0° |
| O15 | P5 | O35 | 106.0° | 109.5° |
| O15 | P5 | O25 | 102.7° | 109.5° |
| O15 | P5 | O45 | 105.0° | 109.4° |
| O35 | P5 | O25 | 113.7° | 109.5° |
| O35 | P5 | O45 | 112.3° | 109.5° |
| O25 | P5 | O45 | 115.9° | 109.5° |
| P5 | O25 | HO25 | 109.5° | 114.0° |
| P5 | O45 | HO45 | 109.5° | 114.0° |
| O16 | C6 | H6 | 109.1° | 109.5° |
| C6 | O16 | P6 | 123.5° | 123.0° |
| O46 | P6 | O26 | 114.8° | 109.5° |
| O46 | P6 | O16 | 103.7° | 109.5° |
| O46 | P6 | O36 | 113.9° | 109.5° |
| O26 | P6 | O16 | 106.6° | 109.5° |
| O26 | P6 | O36 | 113.1° | 109.5° |
| P6 | O26 | HO26 | 109.5° | 114.0° |
| O16 | P6 | O36 | 103.3° | 109.5° |
| P6 | O36 | HO36 | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C1 | C2 | C6 | 123.6° | 120.0° |
| O11 | C1 | C2 | H1 | 118.6° | 120.0° |
| O11 | C1 | C6 | H1 | 119.4° | 120.0° |
| O11 | C1 | C2 | O12 | 59.8° | 60.0° |
| O11 | C1 | C2 | C3 | 178.5° | 180.0° |
| O11 | C1 | C2 | H2 | 60.2° | 60.0° |
| O11 | C1 | C6 | C5 | 179.3° | 180.0° |
| O11 | C1 | C6 | O16 | 56.5° | 60.0° |
| O11 | C1 | C6 | H6 | 62.9° | 60.0° |
| C2 | C1 | C6 | H1 | 117.8° | 120.0° |
| C1 | C2 | O12 | C3 | 122.0° | 120.0° |
| C1 | C2 | O12 | H2 | 119.2° | 120.0° |
| C1 | C2 | C3 | H2 | 118.3° | 120.0° |
| C1 | C2 | C3 | O13 | 172.6° | 180.0° |
| C1 | C2 | C3 | C4 | 53.4° | 60.0° |
| C1 | C2 | C3 | H3 | 67.1° | 60.0° |
| C2 | C1 | C6 | C5 | 58.0° | 60.0° |
| C2 | C1 | C6 | O16 | 179.3° | 179.9° |
| C2 | C1 | C6 | H6 | 59.9° | 60.0° |
| C2 | C1 | O11 | HO11 | 180.0° | 60.0° |
| C1 | C2 | O12 | HO12 | 180.0° | 60.0° |
| C6 | C1 | C2 | O12 | 63.8° | 60.0° |
| C6 | C1 | C2 | C3 | 57.9° | 60.0° |
| C6 | C1 | C2 | H2 | 176.2° | 180.0° |
| C1 | C6 | C5 | C4 | 52.5° | 60.0° |
| C1 | C6 | C5 | O16 | 123.5° | 120.0° |
| C1 | C6 | C5 | H6 | 117.9° | 120.0° |
| C1 | C6 | C5 | O15 | 172.0° | 180.0° |
| C1 | C6 | C5 | H5 | 67.9° | 60.0° |
| C1 | C6 | O16 | H6 | 118.5° | 120.0° |
| C1 | C6 | O16 | P6 | 111.0° | 120.0° |
| C6 | C1 | O11 | HO11 | 56.5° | 180.0° |
| H1 | C1 | C2 | O12 | 178.4° | 180.0° |
| H1 | C1 | C2 | C3 | 59.9° | 60.0° |
| H1 | C1 | C2 | H2 | 58.4° | 60.0° |
| H1 | C1 | C6 | C5 | 59.9° | 60.0° |
| H1 | C1 | C6 | O16 | 62.9° | 60.0° |
| H1 | C1 | C6 | H6 | 177.7° | 180.0° |
| H1 | C1 | O11 | HO11 | 62.1° | 60.0° |
| O12 | C2 | C3 | H2 | 119.5° | 120.0° |
| O12 | C2 | C3 | O13 | 50.5° | 60.0° |
| O12 | C2 | C3 | C4 | 68.7° | 60.0° |
| O12 | C2 | C3 | H3 | 170.8° | 180.0° |
| C2 | C3 | O13 | C4 | 122.6° | 120.0° |
| C2 | C3 | O13 | H3 | 119.4° | 120.0° |
| C2 | C3 | C4 | H3 | 120.5° | 120.0° |
| C2 | C3 | O13 | P3 | 96.6° | 120.0° |
| C2 | C3 | C4 | C5 | 49.5° | 60.0° |
| C2 | C3 | C4 | O14 | 173.2° | 180.0° |
| C2 | C3 | C4 | H4 | 69.6° | 60.0° |
| C3 | C2 | O12 | HO12 | 58.0° | 179.9° |
| H2 | C2 | C3 | O13 | 69.0° | 60.0° |
| H2 | C2 | C3 | C4 | 171.8° | 180.0° |
| H2 | C2 | C3 | H3 | 51.2° | 60.0° |
| H2 | C2 | O12 | HO12 | 60.8° | 59.9° |
| O13 | C3 | C4 | H3 | 118.9° | 120.0° |
| C3 | O13 | P3 | O23 | 91.4° | 54.9° |
| C3 | O13 | P3 | O43 | 150.3° | 175.0° |
| C3 | O13 | P3 | O33 | 28.9° | 65.0° |
| O13 | C3 | C4 | C5 | 170.1° | 180.0° |
| O13 | C3 | C4 | O14 | 66.3° | 60.0° |
| O13 | C3 | C4 | H4 | 50.9° | 60.0° |
| C4 | C3 | O13 | P3 | 140.8° | 120.0° |
| C3 | C4 | C5 | O14 | 121.7° | 120.0° |
| C3 | C4 | C5 | H4 | 119.2° | 120.0° |
| C3 | C4 | O14 | H4 | 116.4° | 120.0° |
| C3 | C4 | O14 | P4 | 132.3° | 120.0° |
| C3 | C4 | C5 | C6 | 48.6° | 60.0° |
| C3 | C4 | C5 | O15 | 168.1° | 180.0° |
| C3 | C4 | C5 | H5 | 71.8° | 60.0° |
| H3 | C3 | O13 | P3 | 22.8° | 0.0° |
| H3 | C3 | C4 | C5 | 71.0° | 60.0° |
| H3 | C3 | C4 | O14 | 52.6° | 60.0° |
| H3 | C3 | C4 | H4 | 169.8° | 180.0° |
| O23 | P3 | O13 | O43 | 118.3° | 120.0° |
| O23 | P3 | O13 | O33 | 120.2° | 120.0° |
| O23 | P3 | O43 | O33 | 135.5° | 120.0° |
| O23 | P3 | O33 | HO33 | 0.0° | 180.0° |
| O23 | P3 | O43 | HO43 | 0.0° | 60.1° |
| O13 | P3 | O43 | O33 | 114.0° | 120.0° |
| O13 | P3 | O33 | HO33 | 111.4° | 60.0° |
| O13 | P3 | O43 | HO43 | 110.5° | 179.9° |
| O43 | P3 | O33 | HO33 | 134.8° | 60.0° |
| O33 | P3 | O43 | HO43 | 135.5° | 60.0° |
| C5 | C4 | O14 | H4 | 118.3° | 120.0° |
| C5 | C4 | O14 | P4 | 102.4° | 120.0° |
| C4 | C5 | C6 | O15 | 119.5° | 120.0° |
| C4 | C5 | C6 | H5 | 120.4° | 120.1° |
| C4 | C5 | O15 | H5 | 119.2° | 120.0° |
| C4 | C5 | O15 | P5 | 129.3° | 120.0° |
| C4 | C5 | C6 | O16 | 175.9° | 180.0° |
| C4 | C5 | C6 | H6 | 65.4° | 60.0° |
| C4 | O14 | P4 | O44 | 11.9° | 54.9° |
| C4 | O14 | P4 | O24 | 131.8° | 175.0° |
| C4 | O14 | P4 | O34 | 107.8° | 65.0° |
| O14 | C4 | C5 | C6 | 170.3° | 180.0° |
| O14 | C4 | C5 | O15 | 70.2° | 60.0° |
| O14 | C4 | C5 | H5 | 49.9° | 60.0° |
| H4 | C4 | O14 | P4 | 15.9° | 0.1° |
| H4 | C4 | C5 | C6 | 70.6° | 60.0° |
| H4 | C4 | C5 | O15 | 48.9° | 60.0° |
| H4 | C4 | C5 | H5 | 169.0° | 179.9° |
| O44 | P4 | O14 | O24 | 119.9° | 120.1° |
| O44 | P4 | O14 | O34 | 119.7° | 120.0° |
| O44 | P4 | O24 | O34 | 132.6° | 120.0° |
| O44 | P4 | O24 | HO24 | 0.0° | 60.0° |
| O44 | P4 | O34 | HO34 | 0.0° | 180.0° |
| O14 | P4 | O24 | O34 | 113.2° | 120.0° |
| O14 | P4 | O24 | HO24 | 114.2° | 180.0° |
| O14 | P4 | O34 | HO34 | 113.3° | 60.0° |
| O24 | P4 | O34 | HO34 | 132.3° | 60.0° |
| O34 | P4 | O24 | HO24 | 132.6° | 60.0° |
| C6 | C5 | O15 | H5 | 119.2° | 120.0° |
| C6 | C5 | O15 | P5 | 109.1° | 120.1° |
| C5 | C6 | O16 | H6 | 117.8° | 120.0° |
| C5 | C6 | O16 | P6 | 125.4° | 120.1° |
| C5 | O15 | P5 | O35 | 63.1° | 54.9° |
| C5 | O15 | P5 | O25 | 177.4° | 175.0° |
| C5 | O15 | P5 | O45 | 55.9° | 65.1° |
| O15 | C5 | C6 | O16 | 64.5° | 60.0° |
| O15 | C5 | C6 | H6 | 54.1° | 60.0° |
| H5 | C5 | O15 | P5 | 10.1° | 0.1° |
| H5 | C5 | C6 | O16 | 55.6° | 59.9° |
| H5 | C5 | C6 | H6 | 174.2° | 179.9° |
| O15 | P5 | O35 | O25 | 112.0° | 120.0° |
| O15 | P5 | O35 | O45 | 114.1° | 120.0° |
| O15 | P5 | O25 | O45 | 113.8° | 119.9° |
| O15 | P5 | O25 | HO25 | 114.0° | 180.0° |
| O15 | P5 | O45 | HO45 | 114.7° | 60.0° |
| O35 | P5 | O25 | O45 | 132.2° | 120.0° |
| O35 | P5 | O25 | HO25 | 0.0° | 60.0° |
| O35 | P5 | O45 | HO45 | 0.0° | 180.0° |
| O25 | P5 | O45 | HO45 | 132.8° | 60.0° |
| O45 | P5 | O25 | HO25 | 132.2° | 60.0° |
| C6 | O16 | P6 | O46 | 105.6° | 55.0° |
| C6 | O16 | P6 | O26 | 15.9° | 65.1° |
| C6 | O16 | P6 | O36 | 135.3° | 175.0° |
| H6 | C6 | O16 | P6 | 7.6° | 0.1° |
| O46 | P6 | O26 | O16 | 114.2° | 120.0° |
| O46 | P6 | O26 | O36 | 133.0° | 120.0° |
| O46 | P6 | O16 | O36 | 119.1° | 120.0° |
| O46 | P6 | O26 | HO26 | 0.0° | 180.0° |
| O46 | P6 | O36 | HO36 | 0.0° | 60.1° |
| O26 | P6 | O16 | O36 | 119.4° | 120.0° |
| O26 | P6 | O36 | HO36 | 133.4° | 60.0° |
| O16 | P6 | O26 | HO26 | 114.2° | 60.0° |
| O16 | P6 | O36 | HO36 | 111.8° | 179.9° |
| O36 | P6 | O26 | HO26 | 133.0° | 60.0° |
