ZNQ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O36 | P6 | doub | 1.48Å | 1.76Å | |
O46 | P6 | sing | 1.61Å | 1.64Å | |
O26 | P6 | sing | 1.61Å | 1.52Å | |
P6 | O16 | sing | 1.61Å | 1.60Å | |
O45 | P5 | doub | 1.48Å | 1.65Å | |
O31 | P1 | doub | 1.48Å | 1.67Å | |
O16 | C6 | sing | 1.43Å | 1.44Å | |
P5 | O15 | sing | 1.61Å | 1.60Å | |
P5 | O35 | sing | 1.61Å | 1.63Å | |
P5 | O25 | sing | 1.61Å | 1.50Å | |
O15 | C5 | sing | 1.43Å | 1.39Å | |
O11 | P1 | sing | 1.61Å | 1.71Å | |
O11 | C1 | sing | 1.43Å | 1.36Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
C6 | C1 | sing | 1.53Å | 1.44Å | |
P1 | O41 | sing | 1.61Å | 1.49Å | |
P1 | O21 | sing | 1.61Å | 1.63Å | |
C5 | C4 | sing | 1.53Å | 1.55Å | |
C1 | C2 | sing | 1.53Å | 1.56Å | |
C2 | C3 | sing | 1.53Å | 1.60Å | |
C2 | O12 | sing | 1.43Å | 1.54Å | |
C4 | C3 | sing | 1.53Å | 1.52Å | |
C4 | O14 | sing | 1.43Å | 1.50Å | |
O24 | P4 | doub | 1.48Å | 1.51Å | |
C3 | O13 | sing | 1.43Å | 1.39Å | |
O14 | P4 | sing | 1.61Å | 1.64Å | |
P4 | O44 | sing | 1.61Å | 1.67Å | |
P4 | O34 | sing | 1.61Å | 1.68Å | |
O21 | H1 | sing | 0.97Å | 0.95Å | |
O41 | H2 | sing | 0.97Å | 0.95Å | |
C1 | H3 | sing | 1.09Å | 1.10Å | |
C6 | H4 | sing | 1.09Å | 1.10Å | |
O46 | H5 | sing | 0.97Å | 0.95Å | |
O26 | H6 | sing | 0.97Å | 0.95Å | |
C5 | H7 | sing | 1.09Å | 1.10Å | |
O35 | H8 | sing | 0.97Å | 0.95Å | |
O25 | H9 | sing | 0.97Å | 0.95Å | |
C2 | H10 | sing | 1.09Å | 1.10Å | |
O12 | H11 | sing | 0.97Å | 0.95Å | |
C3 | H12 | sing | 1.09Å | 1.10Å | |
O13 | H13 | sing | 0.97Å | 0.95Å | |
C4 | H14 | sing | 1.09Å | 1.10Å | |
O44 | H15 | sing | 0.97Å | 0.95Å | |
O34 | H16 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O36 | P6 | O46 | 103.7° | 109.5° |
O36 | P6 | O26 | 111.0° | 109.5° |
O36 | P6 | O16 | 105.3° | 109.5° |
O46 | P6 | O26 | 117.5° | 109.5° |
O46 | P6 | O16 | 114.6° | 109.5° |
P6 | O46 | H5 | 109.5° | 114.0° |
O26 | P6 | O16 | 104.1° | 109.4° |
P6 | O26 | H6 | 109.5° | 114.0° |
P6 | O16 | C6 | 117.3° | 123.0° |
O45 | P5 | O15 | 106.9° | 109.5° |
O45 | P5 | O35 | 107.9° | 109.5° |
O45 | P5 | O25 | 121.3° | 109.5° |
O31 | P1 | O11 | 103.8° | 109.5° |
O31 | P1 | O41 | 108.9° | 109.5° |
O31 | P1 | O21 | 106.2° | 109.5° |
O16 | C6 | C5 | 104.7° | 109.5° |
O16 | C6 | C1 | 104.7° | 109.5° |
O16 | C6 | H4 | 111.4° | 109.5° |
O15 | P5 | O35 | 97.7° | 109.5° |
O15 | P5 | O25 | 106.0° | 109.4° |
P5 | O15 | C5 | 127.2° | 123.0° |
O35 | P5 | O25 | 114.2° | 109.5° |
P5 | O35 | H8 | 109.5° | 114.0° |
P5 | O25 | H9 | 109.5° | 114.0° |
O15 | C5 | C6 | 102.5° | 109.5° |
O15 | C5 | C4 | 107.2° | 109.5° |
O15 | C5 | H7 | 114.4° | 109.5° |
P1 | O11 | C1 | 118.9° | 123.0° |
O11 | P1 | O41 | 113.7° | 109.5° |
O11 | P1 | O21 | 113.4° | 109.4° |
O11 | C1 | C6 | 105.2° | 109.5° |
O11 | C1 | C2 | 111.3° | 109.5° |
O11 | C1 | H3 | 110.4° | 109.5° |
C5 | C6 | C1 | 114.2° | 109.5° |
C6 | C5 | C4 | 108.1° | 109.5° |
C5 | C6 | H4 | 110.1° | 109.5° |
C6 | C5 | H7 | 112.3° | 109.5° |
C6 | C1 | C2 | 112.9° | 109.5° |
C6 | C1 | H3 | 109.3° | 109.5° |
C1 | C6 | H4 | 111.4° | 109.5° |
O41 | P1 | O21 | 110.2° | 109.5° |
P1 | O41 | H2 | 109.5° | 114.0° |
P1 | O21 | H1 | 109.5° | 114.0° |
C5 | C4 | C3 | 110.0° | 109.5° |
C5 | C4 | O14 | 108.3° | 109.5° |
C4 | C5 | H7 | 111.8° | 109.5° |
C5 | C4 | H14 | 108.3° | 109.5° |
C1 | C2 | C3 | 101.9° | 109.5° |
C1 | C2 | O12 | 113.3° | 109.5° |
C2 | C1 | H3 | 107.7° | 109.4° |
C1 | C2 | H10 | 112.5° | 109.4° |
C3 | C2 | O12 | 103.8° | 109.5° |
C2 | C3 | C4 | 114.6° | 109.5° |
C2 | C3 | O13 | 106.4° | 109.5° |
C3 | C2 | H10 | 111.8° | 109.5° |
C2 | C3 | H12 | 106.7° | 109.5° |
O12 | C2 | H10 | 112.7° | 109.5° |
C2 | O12 | H11 | 109.5° | 114.0° |
C3 | C4 | O14 | 112.4° | 109.5° |
C4 | C3 | O13 | 111.9° | 109.5° |
C4 | C3 | H12 | 107.6° | 109.4° |
C3 | C4 | H14 | 108.7° | 109.4° |
C4 | O14 | P4 | 120.8° | 123.0° |
O14 | C4 | H14 | 109.0° | 109.5° |
O24 | P4 | O14 | 106.9° | 109.5° |
O24 | P4 | O44 | 119.0° | 109.5° |
O24 | P4 | O34 | 115.7° | 109.5° |
O13 | C3 | H12 | 109.4° | 109.5° |
C3 | O13 | H13 | 109.5° | 114.0° |
O14 | P4 | O44 | 107.7° | 109.5° |
O14 | P4 | O34 | 104.1° | 109.4° |
O44 | P4 | O34 | 102.3° | 109.5° |
P4 | O44 | H15 | 109.5° | 114.0° |
P4 | O34 | H16 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O36 | P6 | O46 | O26 | 123.0° | 120.0° |
O36 | P6 | O46 | O16 | 114.2° | 120.1° |
O36 | P6 | O26 | O16 | 112.9° | 120.0° |
O36 | P6 | O16 | C6 | 130.1° | 55.0° |
O36 | P6 | O46 | H5 | 0.0° | 180.0° |
O36 | P6 | O26 | H6 | 0.0° | 60.0° |
O46 | P6 | O26 | O16 | 128.0° | 120.0° |
O46 | P6 | O16 | C6 | 16.8° | 65.0° |
O46 | P6 | O26 | H6 | 119.2° | 60.1° |
O26 | P6 | O16 | C6 | 113.0° | 175.0° |
O26 | P6 | O46 | H5 | 123.0° | 60.0° |
P6 | O16 | C6 | C5 | 105.0° | 120.0° |
P6 | O16 | C6 | C1 | 134.5° | 120.0° |
P6 | O16 | C6 | H4 | 14.0° | 0.0° |
O16 | P6 | O46 | H5 | 114.2° | 60.0° |
O16 | P6 | O26 | H6 | 112.9° | 180.0° |
O45 | P5 | O15 | O35 | 111.4° | 120.1° |
O45 | P5 | O15 | O25 | 130.7° | 120.0° |
O45 | P5 | O35 | O25 | 137.9° | 120.0° |
O45 | P5 | O15 | C5 | 145.5° | 55.0° |
O45 | P5 | O35 | H8 | 0.0° | 180.0° |
O45 | P5 | O25 | H9 | 0.0° | 60.0° |
O31 | P1 | O11 | O41 | 118.2° | 120.0° |
O31 | P1 | O11 | O21 | 114.8° | 120.0° |
O31 | P1 | O11 | C1 | 175.3° | 55.0° |
O31 | P1 | O41 | O21 | 116.2° | 120.0° |
O31 | P1 | O21 | H1 | 0.0° | 60.0° |
O31 | P1 | O41 | H2 | 0.0° | 180.0° |
O16 | C6 | C5 | O15 | 75.6° | 60.0° |
O16 | C6 | C1 | O11 | 59.8° | 60.0° |
O16 | C6 | C5 | C1 | 114.0° | 120.0° |
O16 | C6 | C5 | H4 | 119.9° | 120.0° |
O16 | C6 | C1 | H4 | 120.5° | 120.0° |
O16 | C6 | C5 | C4 | 171.4° | 180.0° |
O16 | C6 | C1 | C2 | 178.7° | 180.0° |
O16 | C6 | C1 | H3 | 58.8° | 60.0° |
O16 | C6 | C5 | H7 | 47.6° | 60.0° |
O15 | P5 | O35 | O25 | 111.5° | 119.9° |
P5 | O15 | C5 | C6 | 137.0° | 120.0° |
P5 | O15 | C5 | C4 | 109.3° | 120.0° |
P5 | O15 | C5 | H7 | 15.2° | 0.0° |
O15 | P5 | O35 | H8 | 110.6° | 60.0° |
O15 | P5 | O25 | H9 | 121.9° | 180.0° |
O35 | P5 | O15 | C5 | 103.1° | 65.0° |
O35 | P5 | O25 | H9 | 131.8° | 60.1° |
O25 | P5 | O15 | C5 | 14.9° | 175.0° |
O25 | P5 | O35 | H8 | 137.9° | 60.0° |
O15 | C5 | C6 | C4 | 113.0° | 120.0° |
O15 | C5 | C6 | H7 | 123.2° | 120.0° |
O15 | C5 | C6 | C1 | 170.4° | 180.0° |
O15 | C5 | C4 | H7 | 126.1° | 120.0° |
O15 | C5 | C4 | C3 | 161.9° | 180.0° |
O15 | C5 | C4 | O14 | 75.0° | 60.0° |
O15 | C5 | C6 | H4 | 44.2° | 60.0° |
O15 | C5 | C4 | H14 | 43.2° | 60.0° |
P1 | O11 | C1 | C6 | 148.4° | 120.0° |
O11 | P1 | O41 | O21 | 128.6° | 120.0° |
P1 | O11 | C1 | C2 | 89.0° | 120.0° |
O11 | P1 | O21 | H1 | 113.3° | 180.0° |
O11 | P1 | O41 | H2 | 115.2° | 60.0° |
P1 | O11 | C1 | H3 | 30.6° | 0.0° |
O11 | C1 | C6 | C5 | 173.8° | 180.0° |
O11 | C1 | C6 | C2 | 121.6° | 120.0° |
O11 | C1 | C6 | H3 | 118.5° | 120.0° |
C1 | O11 | P1 | O41 | 66.4° | 65.0° |
C1 | O11 | P1 | O21 | 60.5° | 175.0° |
O11 | C1 | C2 | H3 | 121.2° | 120.0° |
O11 | C1 | C2 | C3 | 177.1° | 180.0° |
O11 | C1 | C2 | O12 | 72.1° | 60.0° |
O11 | C1 | C6 | H4 | 60.7° | 60.0° |
O11 | C1 | C2 | H10 | 57.2° | 60.0° |
C5 | C6 | C1 | H4 | 125.5° | 120.0° |
C6 | C5 | C4 | H7 | 124.1° | 120.0° |
C5 | C6 | C1 | C2 | 64.7° | 60.0° |
C6 | C5 | C4 | C3 | 52.1° | 60.0° |
C6 | C5 | C4 | O14 | 175.3° | 180.0° |
C5 | C6 | C1 | H3 | 55.2° | 60.0° |
C6 | C5 | C4 | H14 | 66.6° | 60.0° |
C1 | C6 | C5 | C4 | 57.4° | 60.0° |
C6 | C1 | C2 | H3 | 120.8° | 120.0° |
C6 | C1 | C2 | C3 | 59.0° | 60.0° |
C6 | C1 | C2 | O12 | 169.8° | 180.0° |
C1 | C6 | C5 | H7 | 66.4° | 60.0° |
C6 | C1 | C2 | H10 | 60.9° | 60.0° |
O41 | P1 | O21 | H1 | 117.9° | 60.0° |
O21 | P1 | O41 | H2 | 116.2° | 60.0° |
C5 | C4 | C3 | C2 | 57.4° | 60.0° |
C5 | C4 | C3 | O14 | 120.7° | 120.0° |
C5 | C4 | C3 | H14 | 118.5° | 120.0° |
C5 | C4 | O14 | H14 | 117.7° | 120.0° |
C5 | C4 | C3 | O13 | 178.6° | 180.0° |
C5 | C4 | O14 | P4 | 149.5° | 120.0° |
C4 | C5 | C6 | H4 | 68.8° | 60.0° |
C5 | C4 | C3 | H12 | 61.2° | 60.0° |
C1 | C2 | C3 | O12 | 117.9° | 120.0° |
C1 | C2 | C3 | H10 | 120.4° | 120.0° |
C1 | C2 | O12 | H10 | 129.2° | 120.0° |
C1 | C2 | C3 | C4 | 57.2° | 59.9° |
C1 | C2 | C3 | O13 | 178.6° | 179.9° |
C2 | C1 | C6 | H4 | 60.8° | 60.0° |
C1 | C2 | O12 | H11 | 180.0° | 180.0° |
C1 | C2 | C3 | H12 | 61.9° | 60.0° |
C3 | C2 | O12 | H10 | 121.1° | 120.0° |
C2 | C3 | C4 | O13 | 121.2° | 120.0° |
C2 | C3 | C4 | H12 | 118.5° | 120.0° |
C2 | C3 | C4 | O14 | 178.1° | 180.0° |
C2 | C3 | O13 | H12 | 114.9° | 120.0° |
C3 | C2 | C1 | H3 | 61.7° | 60.0° |
C3 | C2 | O12 | H11 | 70.3° | 60.0° |
C2 | C3 | O13 | H13 | 180.0° | 60.0° |
C2 | C3 | C4 | H14 | 61.1° | 60.0° |
O12 | C2 | C3 | C4 | 175.0° | 179.9° |
O12 | C2 | C3 | O13 | 60.7° | 60.0° |
O12 | C2 | C1 | H3 | 49.1° | 60.0° |
O12 | C2 | C3 | H12 | 56.0° | 60.0° |
C3 | C4 | O14 | H14 | 120.6° | 120.0° |
C4 | C3 | O13 | H12 | 119.2° | 120.0° |
C3 | C4 | O14 | P4 | 88.7° | 120.0° |
C3 | C4 | C5 | H7 | 72.0° | 60.0° |
C4 | C3 | C2 | H10 | 63.2° | 60.0° |
C4 | C3 | O13 | H13 | 54.1° | 180.0° |
C4 | O14 | P4 | O24 | 38.9° | 55.0° |
O14 | C4 | C3 | O13 | 60.7° | 60.0° |
C4 | O14 | P4 | O44 | 167.9° | 65.0° |
C4 | O14 | P4 | O34 | 84.0° | 175.0° |
O14 | C4 | C5 | H7 | 51.1° | 60.0° |
O14 | C4 | C3 | H12 | 59.6° | 60.0° |
O24 | P4 | O14 | O44 | 129.0° | 120.0° |
O24 | P4 | O14 | O34 | 123.0° | 120.0° |
O24 | P4 | O44 | O34 | 129.0° | 120.0° |
O24 | P4 | O44 | H15 | 0.0° | 180.0° |
O24 | P4 | O34 | H16 | 0.0° | 60.0° |
O13 | C3 | C2 | H10 | 61.0° | 60.0° |
O13 | C3 | C4 | H14 | 60.1° | 60.0° |
O14 | P4 | O44 | O34 | 109.3° | 120.0° |
P4 | O14 | C4 | H14 | 31.9° | 0.0° |
O14 | P4 | O44 | H15 | 121.7° | 60.0° |
O14 | P4 | O34 | H16 | 117.0° | 180.0° |
O44 | P4 | O34 | H16 | 131.0° | 60.0° |
O34 | P4 | O44 | H15 | 129.0° | 60.0° |
H3 | C1 | C6 | H4 | 179.3° | 180.0° |
H3 | C1 | C2 | H10 | 178.4° | 180.0° |
H4 | C6 | C5 | H7 | 167.4° | 180.0° |
H7 | C5 | C4 | H14 | 169.2° | 180.0° |
H10 | C2 | O12 | H11 | 50.8° | 60.0° |
H10 | C2 | C3 | H12 | 177.7° | 180.0° |
H12 | C3 | O13 | H13 | 65.1° | 60.0° |
H12 | C3 | C4 | H14 | 179.6° | NaN° |