6YY
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O34 | P32 | doub | 1.48Å | 1.45Å | |
O33 | P32 | sing | 1.61Å | 1.45Å | |
P32 | O31 | sing | 1.61Å | 1.57Å | |
P32 | O35 | sing | 1.61Å | 1.45Å | |
O31 | P29 | sing | 1.61Å | 1.58Å | |
O27 | P26 | doub | 1.48Å | 1.48Å | |
O42 | P11 | doub | 1.48Å | 1.49Å | |
O12 | P11 | sing | 1.61Å | 1.50Å | |
O15 | P14 | doub | 1.48Å | 1.49Å | |
P11 | O10 | sing | 1.61Å | 1.59Å | |
P11 | O13 | sing | 1.61Å | 1.58Å | |
O28 | P26 | sing | 1.61Å | 1.57Å | |
O28 | P29 | sing | 1.61Å | 1.59Å | |
P26 | O37 | sing | 1.61Å | 1.48Å | |
P26 | O25 | sing | 1.61Å | 1.58Å | |
P29 | O36 | doub | 1.48Å | 1.51Å | |
P29 | O30 | sing | 1.61Å | 1.50Å | |
O10 | P08 | sing | 1.61Å | 1.58Å | |
P14 | O13 | sing | 1.61Å | 1.59Å | |
P14 | O41 | sing | 1.61Å | 1.51Å | |
P14 | O16 | sing | 1.61Å | 1.58Å | |
O25 | P23 | sing | 1.61Å | 1.58Å | |
O07 | P08 | sing | 1.61Å | 1.57Å | |
O07 | P05 | sing | 1.61Å | 1.58Å | |
P08 | O43 | doub | 1.48Å | 1.50Å | |
P08 | O09 | sing | 1.61Å | 1.50Å | |
O16 | P17 | sing | 1.61Å | 1.57Å | |
O24 | P23 | doub | 1.48Å | 1.48Å | |
O39 | P20 | doub | 1.48Å | 1.48Å | |
P23 | O38 | sing | 1.61Å | 1.49Å | |
P23 | O22 | sing | 1.61Å | 1.57Å | |
O04 | P05 | sing | 1.61Å | 1.58Å | |
O04 | P02 | sing | 1.61Å | 1.58Å | |
O03 | P02 | doub | 1.48Å | 1.51Å | |
P05 | O06 | doub | 1.48Å | 1.51Å | |
P05 | O44 | sing | 1.61Å | 1.50Å | |
O01 | P02 | sing | 1.61Å | 1.51Å | |
O40 | P17 | doub | 1.48Å | 1.49Å | |
P17 | O19 | sing | 1.61Å | 1.57Å | |
P17 | O18 | sing | 1.61Å | 1.49Å | |
P02 | O45 | sing | 1.61Å | 1.51Å | |
P20 | O22 | sing | 1.61Å | 1.56Å | |
P20 | O19 | sing | 1.61Å | 1.58Å | |
P20 | O21 | sing | 1.61Å | 1.48Å | |
O01 | H1 | sing | 0.97Å | 0.95Å | |
O09 | H2 | sing | 0.97Å | 0.95Å | |
O12 | H3 | sing | 0.97Å | 0.95Å | |
O18 | H4 | sing | 0.97Å | 0.95Å | |
O21 | H5 | sing | 0.97Å | 0.95Å | |
O30 | H6 | sing | 0.97Å | 0.95Å | |
O33 | H7 | sing | 0.97Å | 0.95Å | |
O35 | H8 | sing | 0.97Å | 0.95Å | |
O37 | H9 | sing | 0.97Å | 0.95Å | |
O38 | H10 | sing | 0.97Å | 0.95Å | |
O41 | H11 | sing | 0.97Å | 0.95Å | |
O44 | H12 | sing | 0.97Å | 0.95Å | |
O45 | H13 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O34 | P32 | O33 | 108.9° | 109.4° |
O34 | P32 | O31 | 108.4° | 109.5° |
O34 | P32 | O35 | 112.8° | 109.5° |
O33 | P32 | O31 | 110.3° | 109.5° |
O33 | P32 | O35 | 107.1° | 109.5° |
P32 | O33 | H7 | 109.5° | 114.0° |
O31 | P32 | O35 | 109.3° | 109.5° |
P32 | O31 | P29 | 127.1° | 134.0° |
P32 | O35 | H8 | 109.5° | 114.0° |
O31 | P29 | O28 | 106.9° | 109.5° |
O31 | P29 | O36 | 114.1° | 109.5° |
O31 | P29 | O30 | 109.9° | 109.5° |
O27 | P26 | O28 | 110.7° | 109.5° |
O27 | P26 | O37 | 106.6° | 109.5° |
O27 | P26 | O25 | 110.7° | 109.4° |
O42 | P11 | O12 | 109.6° | 109.5° |
O42 | P11 | O10 | 108.2° | 109.5° |
O42 | P11 | O13 | 105.6° | 109.5° |
O12 | P11 | O10 | 109.5° | 109.5° |
O12 | P11 | O13 | 110.1° | 109.5° |
P11 | O12 | H3 | 109.5° | 114.0° |
O15 | P14 | O13 | 111.5° | 109.5° |
O15 | P14 | O41 | 107.2° | 109.5° |
O15 | P14 | O16 | 108.3° | 109.5° |
O10 | P11 | O13 | 113.7° | 109.5° |
P11 | O10 | P08 | 129.3° | 134.0° |
P11 | O13 | P14 | 127.7° | 134.0° |
P26 | O28 | P29 | 132.2° | 134.0° |
O28 | P26 | O37 | 107.6° | 109.4° |
O28 | P26 | O25 | 106.9° | 109.5° |
O28 | P29 | O36 | 114.0° | 109.5° |
O28 | P29 | O30 | 103.7° | 109.4° |
O37 | P26 | O25 | 114.4° | 109.5° |
P26 | O37 | H9 | 109.5° | 114.0° |
P26 | O25 | P23 | 126.6° | 134.0° |
O36 | P29 | O30 | 107.8° | 109.5° |
P29 | O30 | H6 | 109.5° | 114.0° |
O10 | P08 | O07 | 110.0° | 109.5° |
O10 | P08 | O43 | 110.8° | 109.5° |
O10 | P08 | O09 | 111.7° | 109.5° |
O13 | P14 | O41 | 110.8° | 109.4° |
O13 | P14 | O16 | 109.2° | 109.5° |
O41 | P14 | O16 | 109.8° | 109.5° |
P14 | O41 | H11 | 109.5° | 114.1° |
P14 | O16 | P17 | 130.7° | 134.0° |
O25 | P23 | O24 | 108.6° | 109.4° |
O25 | P23 | O38 | 106.7° | 109.5° |
O25 | P23 | O22 | 117.3° | 109.5° |
P08 | O07 | P05 | 120.2° | 134.0° |
O07 | P08 | O43 | 107.3° | 109.5° |
O07 | P08 | O09 | 109.1° | 109.5° |
O07 | P05 | O04 | 113.7° | 109.5° |
O07 | P05 | O06 | 107.7° | 109.5° |
O07 | P05 | O44 | 107.6° | 109.5° |
O43 | P08 | O09 | 107.8° | 109.4° |
P08 | O09 | H2 | 109.5° | 114.0° |
O16 | P17 | O40 | 111.9° | 109.5° |
O16 | P17 | O19 | 107.5° | 109.4° |
O16 | P17 | O18 | 111.6° | 109.5° |
O24 | P23 | O38 | 109.4° | 109.5° |
O24 | P23 | O22 | 108.8° | 109.5° |
O39 | P20 | O22 | 109.8° | 109.5° |
O39 | P20 | O19 | 109.0° | 109.4° |
O39 | P20 | O21 | 111.9° | 109.5° |
O38 | P23 | O22 | 105.8° | 109.5° |
P23 | O38 | H10 | 109.5° | 114.0° |
P23 | O22 | P20 | 134.3° | 134.0° |
P05 | O04 | P02 | 121.6° | 134.0° |
O04 | P05 | O06 | 109.5° | 109.5° |
O04 | P05 | O44 | 109.1° | 109.5° |
O04 | P02 | O03 | 108.6° | 109.5° |
O04 | P02 | O01 | 107.5° | 109.5° |
O04 | P02 | O45 | 112.8° | 109.5° |
O03 | P02 | O01 | 107.5° | 109.4° |
O03 | P02 | O45 | 108.2° | 109.5° |
O06 | P05 | O44 | 109.1° | 109.5° |
P05 | O44 | H12 | 109.5° | 114.0° |
O01 | P02 | O45 | 112.1° | 109.5° |
P02 | O01 | H1 | 109.5° | 114.0° |
O40 | P17 | O19 | 108.0° | 109.5° |
O40 | P17 | O18 | 105.3° | 109.5° |
O19 | P17 | O18 | 112.6° | 109.5° |
P17 | O19 | P20 | 126.9° | 134.0° |
P17 | O18 | H4 | 109.5° | 114.0° |
P02 | O45 | H13 | 109.5° | 114.0° |
O22 | P20 | O19 | 109.3° | 109.5° |
O22 | P20 | O21 | 107.1° | 109.4° |
O19 | P20 | O21 | 109.6° | 109.5° |
P20 | O21 | H5 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O34 | P32 | O33 | O31 | 118.8° | 120.0° |
O34 | P32 | O33 | O35 | 122.3° | 120.0° |
O34 | P32 | O31 | O35 | 123.3° | 120.0° |
O34 | P32 | O31 | P29 | 165.5° | 45.0° |
O34 | P32 | O33 | H7 | 0.0° | 180.0° |
O34 | P32 | O35 | H8 | 0.0° | 60.0° |
O33 | P32 | O31 | O35 | 117.5° | 120.0° |
O33 | P32 | O31 | P29 | 75.4° | 74.9° |
O33 | P32 | O35 | H8 | 119.8° | 60.0° |
P32 | O31 | P29 | O28 | 114.1° | 165.0° |
P32 | O31 | P29 | O36 | 119.0° | 44.9° |
P32 | O31 | P29 | O30 | 2.2° | 75.1° |
O31 | P32 | O33 | H7 | 118.9° | 60.0° |
O31 | P32 | O35 | H8 | 120.6° | 180.0° |
O35 | P32 | O31 | P29 | 42.2° | 165.0° |
O35 | P32 | O33 | H7 | 122.2° | 60.0° |
O31 | P29 | O28 | P26 | 114.5° | 160.0° |
O31 | P29 | O28 | O36 | 127.0° | 120.1° |
O31 | P29 | O28 | O30 | 116.1° | 120.0° |
O31 | P29 | O36 | O30 | 122.3° | 120.0° |
O31 | P29 | O30 | H6 | 124.8° | 59.9° |
O27 | P26 | O28 | O37 | 116.1° | 120.0° |
O27 | P26 | O28 | O25 | 120.6° | 120.0° |
O27 | P26 | O28 | P29 | 79.2° | 40.0° |
O27 | P26 | O37 | O25 | 122.6° | 120.0° |
O27 | P26 | O25 | P23 | 113.6° | 45.1° |
O27 | P26 | O37 | H9 | 0.0° | 180.0° |
O42 | P11 | O12 | O10 | 118.6° | 120.0° |
O42 | P11 | O12 | O13 | 115.8° | 120.0° |
O42 | P11 | O10 | O13 | 117.0° | 120.0° |
O42 | P11 | O10 | P08 | 133.1° | 40.0° |
O42 | P11 | O13 | P14 | 51.1° | 45.1° |
O42 | P11 | O12 | H3 | 0.0° | 180.0° |
O12 | P11 | O10 | O13 | 123.5° | 120.0° |
O12 | P11 | O10 | P08 | 107.5° | 80.0° |
O12 | P11 | O13 | P14 | 67.1° | 75.0° |
O15 | P14 | O13 | P11 | 0.5° | 44.9° |
O15 | P14 | O13 | O41 | 119.3° | 120.0° |
O15 | P14 | O13 | O16 | 119.7° | 120.0° |
O15 | P14 | O41 | O16 | 117.5° | 120.0° |
O15 | P14 | O16 | P17 | 172.3° | 40.0° |
O15 | P14 | O41 | H11 | 0.0° | 179.9° |
O10 | P11 | O13 | P14 | 169.6° | 165.1° |
P11 | O10 | P08 | O07 | 174.6° | 165.0° |
P11 | O10 | P08 | O43 | 56.1° | 44.9° |
P11 | O10 | P08 | O09 | 64.1° | 75.0° |
O10 | P11 | O12 | H3 | 118.6° | 59.9° |
O13 | P11 | O10 | P08 | 16.1° | 160.0° |
P11 | O13 | P14 | O41 | 118.8° | 75.0° |
P11 | O13 | P14 | O16 | 120.2° | 165.0° |
O13 | P11 | O12 | H3 | 115.8° | 60.0° |
O28 | P26 | O37 | O25 | 118.6° | 120.0° |
P26 | O28 | P29 | O36 | 12.5° | 40.0° |
P26 | O28 | P29 | O30 | 129.4° | 80.0° |
O28 | P26 | O25 | P23 | 125.8° | 165.0° |
O28 | P26 | O37 | H9 | 118.7° | 60.1° |
P29 | O28 | P26 | O37 | 164.7° | 80.0° |
P29 | O28 | P26 | O25 | 41.4° | 160.0° |
O28 | P29 | O36 | O30 | 114.5° | 119.9° |
O28 | P29 | O30 | H6 | 121.2° | 60.1° |
O37 | P26 | O25 | P23 | 6.7° | 75.0° |
P26 | O25 | P23 | O24 | 50.6° | 40.0° |
P26 | O25 | P23 | O38 | 67.3° | 79.9° |
P26 | O25 | P23 | O22 | 174.4° | 160.0° |
O25 | P26 | O37 | H9 | 122.6° | 60.0° |
O36 | P29 | O30 | H6 | 0.0° | 180.0° |
O10 | P08 | O07 | O43 | 120.6° | 120.0° |
O10 | P08 | O07 | O09 | 122.8° | 120.0° |
O10 | P08 | O07 | P05 | 170.1° | 160.0° |
O10 | P08 | O43 | O09 | 122.5° | 120.0° |
O10 | P08 | O09 | H2 | 121.9° | 60.0° |
O13 | P14 | O41 | O16 | 120.7° | 120.0° |
O13 | P14 | O16 | P17 | 50.7° | 160.0° |
O13 | P14 | O41 | H11 | 121.9° | 59.9° |
O41 | P14 | O16 | P17 | 70.9° | 80.0° |
P14 | O16 | P17 | O40 | 109.0° | 40.0° |
P14 | O16 | P17 | O19 | 132.5° | 160.0° |
P14 | O16 | P17 | O18 | 8.7° | 80.0° |
O16 | P14 | O41 | H11 | 117.5° | 60.0° |
O25 | P23 | O24 | O38 | 116.1° | 120.0° |
O25 | P23 | O24 | O22 | 128.7° | 120.0° |
O25 | P23 | O38 | O22 | 125.6° | 120.0° |
O25 | P23 | O22 | P20 | 40.9° | 165.0° |
O25 | P23 | O38 | H10 | 117.3° | 60.1° |
O07 | P08 | O43 | O09 | 117.4° | 120.0° |
P08 | O07 | P05 | O04 | 146.9° | 160.1° |
P08 | O07 | P05 | O06 | 91.6° | 40.0° |
P08 | O07 | P05 | O44 | 25.9° | 80.0° |
O07 | P08 | O09 | H2 | 116.3° | 60.1° |
P05 | O07 | P08 | O43 | 69.3° | 40.0° |
P05 | O07 | P08 | O09 | 47.3° | 80.0° |
O07 | P05 | O04 | O06 | 120.6° | 120.0° |
O07 | P05 | O04 | O44 | 120.1° | 120.0° |
O07 | P05 | O04 | P02 | 145.0° | 165.0° |
O07 | P05 | O06 | O44 | 116.5° | 120.0° |
O07 | P05 | O44 | H12 | 116.6° | 60.0° |
O43 | P08 | O09 | H2 | 0.0° | 179.9° |
O16 | P17 | O40 | O19 | 118.1° | 119.9° |
O16 | P17 | O40 | O18 | 121.4° | 120.0° |
O16 | P17 | O19 | O18 | 123.3° | 120.0° |
O16 | P17 | O19 | P20 | 41.2° | 165.0° |
O16 | P17 | O18 | H4 | 121.6° | 60.0° |
O24 | P23 | O38 | O22 | 117.1° | 120.0° |
O24 | P23 | O22 | P20 | 82.9° | 45.0° |
O24 | P23 | O38 | H10 | 0.0° | 180.0° |
O39 | P20 | O22 | P23 | 1.5° | 45.0° |
O39 | P20 | O19 | P17 | 1.0° | 40.0° |
O39 | P20 | O22 | O19 | 119.6° | 120.0° |
O39 | P20 | O22 | O21 | 121.8° | 120.0° |
O39 | P20 | O19 | O21 | 122.9° | 120.0° |
O39 | P20 | O21 | H5 | 0.0° | 180.0° |
O38 | P23 | O22 | P20 | 159.7° | 75.0° |
P23 | O22 | P20 | O19 | 121.0° | 165.0° |
P23 | O22 | P20 | O21 | 120.3° | 75.0° |
O22 | P23 | O38 | H10 | 117.1° | 60.0° |
P05 | O04 | P02 | O03 | 164.0° | 45.0° |
O04 | P05 | O06 | O44 | 119.3° | 120.0° |
P05 | O04 | P02 | O01 | 48.0° | 74.9° |
P05 | O04 | P02 | O45 | 76.1° | 165.1° |
O04 | P05 | O44 | H12 | 119.6° | 60.0° |
O04 | P02 | O03 | O01 | 116.0° | 120.0° |
O04 | P02 | O03 | O45 | 122.7° | 120.0° |
P02 | O04 | P05 | O06 | 24.5° | 45.0° |
P02 | O04 | P05 | O44 | 94.8° | 75.1° |
O04 | P02 | O01 | O45 | 124.5° | 120.0° |
O04 | P02 | O01 | H1 | 116.7° | 60.0° |
O04 | P02 | O45 | H13 | 120.1° | 180.0° |
O03 | P02 | O01 | O45 | 118.8° | 120.0° |
O03 | P02 | O01 | H1 | 0.0° | 180.0° |
O03 | P02 | O45 | H13 | 0.0° | 60.0° |
O06 | P05 | O44 | H12 | 0.0° | 180.0° |
O01 | P02 | O45 | H13 | 118.3° | 60.0° |
O40 | P17 | O19 | O18 | 115.9° | 120.1° |
O40 | P17 | O19 | P20 | 79.7° | 45.1° |
O40 | P17 | O18 | H4 | 0.0° | 180.0° |
P17 | O19 | P20 | O22 | 119.0° | 160.0° |
P17 | O19 | P20 | O21 | 123.9° | 80.0° |
O19 | P17 | O18 | H4 | 117.5° | 60.0° |
O18 | P17 | O19 | P20 | 164.5° | 75.0° |
O45 | P02 | O01 | H1 | 118.8° | 60.0° |
O22 | P20 | O19 | O21 | 117.1° | 120.0° |
O22 | P20 | O21 | H5 | 120.4° | 60.1° |
O19 | P20 | O21 | H5 | 121.2° | 60.0° |