ZM2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O31 | PA1 | doub | 1.48Å | 1.58Å | |
PA1 | O21 | sing | 1.61Å | 1.62Å | |
PA1 | O41 | sing | 1.61Å | 1.45Å | |
PA1 | O11 | sing | 1.61Å | 1.68Å | |
O11 | C1 | sing | 1.43Å | 1.40Å | |
O16 | C6 | sing | 1.43Å | 1.38Å | |
O22 | PA2 | doub | 1.48Å | 1.55Å | |
C1 | C6 | sing | 1.53Å | 1.54Å | |
C1 | C2 | sing | 1.53Å | 1.54Å | |
C6 | C5 | sing | 1.53Å | 1.53Å | |
O32 | PA2 | sing | 1.61Å | 1.52Å | |
PA2 | O12 | sing | 1.61Å | 1.63Å | |
PA2 | O42 | sing | 1.61Å | 1.45Å | |
C2 | O12 | sing | 1.43Å | 1.46Å | |
C2 | C3 | sing | 1.53Å | 1.55Å | |
O25 | PA5 | doub | 1.48Å | 1.64Å | |
C5 | O15 | sing | 1.43Å | 1.49Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
O15 | PA5 | sing | 1.61Å | 1.64Å | |
O35 | PA5 | sing | 1.61Å | 1.62Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C3 | O13 | sing | 1.43Å | 1.36Å | |
PA5 | O45 | sing | 1.61Å | 1.49Å | |
C4 | O14 | sing | 1.43Å | 1.43Å | |
O43 | PA3 | doub | 1.48Å | 1.53Å | |
O13 | PA3 | sing | 1.61Å | 1.60Å | |
PA3 | O33 | sing | 1.61Å | 1.54Å | |
PA3 | O23 | sing | 1.61Å | 1.62Å | |
O14 | PA4 | sing | 1.61Å | 1.67Å | |
O53 | PB3 | doub | 1.48Å | 1.76Å | |
O34 | PA4 | doub | 1.48Å | 1.63Å | |
O73 | PB3 | sing | 1.61Å | 1.61Å | |
PA4 | O24 | sing | 1.61Å | 1.52Å | |
PA4 | O44 | sing | 1.61Å | 1.61Å | |
O23 | PB3 | sing | 1.61Å | 1.76Å | |
PB3 | O63 | sing | 1.61Å | 1.67Å | |
O24 | H1 | sing | 0.97Å | 0.95Å | |
O44 | H2 | sing | 0.97Å | 0.95Å | |
C4 | H3 | sing | 1.09Å | 1.10Å | |
C5 | H4 | sing | 1.09Å | 1.10Å | |
O35 | H5 | sing | 0.97Å | 0.95Å | |
O45 | H6 | sing | 0.97Å | 0.95Å | |
C6 | H7 | sing | 1.09Å | 1.10Å | |
O16 | H8 | sing | 0.97Å | 0.95Å | |
C1 | H9 | sing | 1.09Å | 1.10Å | |
O41 | H10 | sing | 0.97Å | 0.95Å | |
O21 | H11 | sing | 0.97Å | 0.95Å | |
C2 | H12 | sing | 1.09Å | 1.10Å | |
O32 | H13 | sing | 0.97Å | 0.95Å | |
O42 | H14 | sing | 0.97Å | 0.95Å | |
C3 | H15 | sing | 1.09Å | 1.10Å | |
O33 | H16 | sing | 0.97Å | 0.95Å | |
O63 | H17 | sing | 0.97Å | 0.95Å | |
O73 | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O31 | PA1 | O21 | 111.1° | 109.5° |
O31 | PA1 | O41 | 118.9° | 109.5° |
O31 | PA1 | O11 | 99.8° | 109.5° |
O21 | PA1 | O41 | 112.6° | 109.4° |
O21 | PA1 | O11 | 103.9° | 109.5° |
PA1 | O21 | H11 | 109.5° | 114.0° |
O41 | PA1 | O11 | 108.5° | 109.5° |
PA1 | O41 | H10 | 109.5° | 114.0° |
PA1 | O11 | C1 | 125.7° | 123.0° |
O11 | C1 | C6 | 103.8° | 109.4° |
O11 | C1 | C2 | 110.7° | 109.5° |
O11 | C1 | H9 | 111.8° | 109.4° |
O16 | C6 | C1 | 108.3° | 109.5° |
O16 | C6 | C5 | 106.9° | 109.5° |
O16 | C6 | H7 | 110.8° | 109.5° |
C6 | O16 | H8 | 109.5° | 114.0° |
O22 | PA2 | O32 | 114.5° | 109.5° |
O22 | PA2 | O12 | 109.2° | 109.5° |
O22 | PA2 | O42 | 114.0° | 109.5° |
C6 | C1 | C2 | 110.8° | 109.5° |
C1 | C6 | C5 | 113.8° | 109.4° |
C1 | C6 | H7 | 108.5° | 109.5° |
C6 | C1 | H9 | 109.7° | 109.5° |
C1 | C2 | O12 | 109.7° | 109.5° |
C1 | C2 | C3 | 110.6° | 109.5° |
C2 | C1 | H9 | 109.8° | 109.5° |
C1 | C2 | H12 | 109.8° | 109.5° |
C6 | C5 | O15 | 107.0° | 109.5° |
C6 | C5 | C4 | 108.0° | 109.5° |
C6 | C5 | H4 | 110.2° | 109.5° |
C5 | C6 | H7 | 108.6° | 109.5° |
O32 | PA2 | O12 | 91.4° | 109.5° |
O32 | PA2 | O42 | 116.3° | 109.5° |
PA2 | O32 | H13 | 109.5° | 114.0° |
O12 | PA2 | O42 | 108.8° | 109.5° |
PA2 | O12 | C2 | 126.7° | 123.0° |
PA2 | O42 | H14 | 109.5° | 114.0° |
O12 | C2 | C3 | 106.3° | 109.5° |
O12 | C2 | H12 | 110.8° | 109.5° |
C2 | C3 | C4 | 112.2° | 109.5° |
C2 | C3 | O13 | 112.2° | 109.5° |
C3 | C2 | H12 | 109.6° | 109.5° |
C2 | C3 | H15 | 109.3° | 109.5° |
O25 | PA5 | O15 | 100.3° | 109.5° |
O25 | PA5 | O35 | 117.0° | 109.5° |
O25 | PA5 | O45 | 114.8° | 109.5° |
O15 | C5 | C4 | 110.2° | 109.5° |
C5 | O15 | PA5 | 120.2° | 123.0° |
O15 | C5 | H4 | 110.8° | 109.4° |
C5 | C4 | C3 | 109.3° | 109.5° |
C5 | C4 | O14 | 108.6° | 109.5° |
C5 | C4 | H3 | 110.8° | 109.5° |
C4 | C5 | H4 | 110.5° | 109.5° |
O15 | PA5 | O35 | 103.3° | 109.4° |
O15 | PA5 | O45 | 101.7° | 109.5° |
O35 | PA5 | O45 | 116.1° | 109.4° |
PA5 | O35 | H5 | 109.5° | 114.1° |
C4 | C3 | O13 | 101.6° | 109.5° |
C3 | C4 | O14 | 105.7° | 109.5° |
C3 | C4 | H3 | 110.3° | 109.4° |
C4 | C3 | H15 | 109.3° | 109.4° |
C3 | O13 | PA3 | 122.3° | 123.0° |
O13 | C3 | H15 | 112.1° | 109.5° |
PA5 | O45 | H6 | 109.5° | 114.0° |
C4 | O14 | PA4 | 123.0° | 123.1° |
O14 | C4 | H3 | 112.0° | 109.4° |
O43 | PA3 | O13 | 111.8° | 109.5° |
O43 | PA3 | O33 | 116.9° | 109.4° |
O43 | PA3 | O23 | 110.9° | 109.5° |
O13 | PA3 | O33 | 109.6° | 109.5° |
O13 | PA3 | O23 | 98.1° | 109.5° |
O33 | PA3 | O23 | 107.9° | 109.5° |
PA3 | O33 | H16 | 109.5° | 114.0° |
PA3 | O23 | PB3 | 126.4° | 134.0° |
O14 | PA4 | O34 | 101.0° | 109.4° |
O14 | PA4 | O24 | 111.1° | 109.4° |
O14 | PA4 | O44 | 104.4° | 109.5° |
O53 | PB3 | O73 | 109.5° | 109.5° |
O53 | PB3 | O23 | 102.5° | 109.5° |
O53 | PB3 | O63 | 113.4° | 109.4° |
O34 | PA4 | O24 | 110.2° | 109.5° |
O34 | PA4 | O44 | 110.1° | 109.5° |
O73 | PB3 | O23 | 105.4° | 109.5° |
O73 | PB3 | O63 | 122.8° | 109.5° |
PB3 | O73 | H18 | 109.5° | 114.0° |
O24 | PA4 | O44 | 118.5° | 109.5° |
PA4 | O24 | H1 | 109.5° | 114.0° |
PA4 | O44 | H2 | 109.5° | 114.0° |
O23 | PB3 | O63 | 100.3° | 109.4° |
PB3 | O63 | H17 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O31 | PA1 | O21 | O41 | 136.2° | 120.0° |
O31 | PA1 | O21 | O11 | 106.5° | 120.0° |
O31 | PA1 | O41 | O11 | 113.0° | 120.0° |
O31 | PA1 | O11 | C1 | 128.5° | 55.0° |
O31 | PA1 | O41 | H10 | 0.0° | 180.0° |
O31 | PA1 | O21 | H11 | 158.1° | 59.9° |
O21 | PA1 | O41 | O11 | 114.5° | 120.0° |
O21 | PA1 | O11 | C1 | 116.7° | 175.1° |
O21 | PA1 | O41 | H10 | 132.5° | 60.0° |
O41 | PA1 | O11 | C1 | 3.4° | 65.0° |
O41 | PA1 | O21 | H11 | 65.7° | 60.1° |
PA1 | O11 | C1 | C6 | 158.8° | 120.0° |
PA1 | O11 | C1 | C2 | 82.2° | 120.0° |
PA1 | O11 | C1 | H9 | 40.6° | 0.0° |
O11 | PA1 | O41 | H10 | 113.0° | 60.0° |
O11 | PA1 | O21 | H11 | 51.5° | 179.9° |
O11 | C1 | C6 | O16 | 68.6° | 60.0° |
O11 | C1 | C6 | C2 | 118.9° | 120.0° |
O11 | C1 | C6 | H9 | 119.7° | 119.9° |
O11 | C1 | C2 | H9 | 124.0° | 120.0° |
O11 | C1 | C6 | C5 | 172.7° | 180.0° |
O11 | C1 | C2 | O12 | 47.3° | 60.0° |
O11 | C1 | C2 | C3 | 164.2° | 180.0° |
O11 | C1 | C6 | H7 | 51.7° | 60.0° |
O11 | C1 | C2 | H12 | 74.7° | 60.0° |
O16 | C6 | C1 | C5 | 118.7° | 120.0° |
O16 | C6 | C1 | H7 | 120.3° | 120.0° |
O16 | C6 | C1 | C2 | 172.5° | 180.0° |
O16 | C6 | C5 | H7 | 119.6° | 120.1° |
O16 | C6 | C5 | O15 | 62.6° | 60.0° |
O16 | C6 | C5 | C4 | 178.7° | 180.0° |
O16 | C6 | C5 | H4 | 57.9° | 59.9° |
O16 | C6 | C1 | H9 | 51.1° | 59.9° |
O22 | PA2 | O32 | O12 | 111.8° | 120.0° |
O22 | PA2 | O32 | O42 | 136.4° | 120.0° |
O22 | PA2 | O12 | O42 | 124.9° | 120.0° |
O22 | PA2 | O12 | C2 | 46.9° | 55.0° |
O22 | PA2 | O32 | H13 | 0.0° | 60.0° |
O22 | PA2 | O42 | H14 | 0.0° | 179.9° |
C6 | C1 | C2 | H9 | 121.4° | 120.1° |
C1 | C6 | C5 | H7 | 120.9° | 120.0° |
C6 | C1 | C2 | O12 | 67.4° | 60.0° |
C6 | C1 | C2 | C3 | 49.5° | 60.0° |
C1 | C6 | C5 | O15 | 177.9° | 180.0° |
C1 | C6 | C5 | C4 | 59.3° | 60.0° |
C1 | C6 | C5 | H4 | 61.6° | 60.0° |
C1 | C6 | O16 | H8 | 180.0° | 60.0° |
C6 | C1 | C2 | H12 | 170.6° | 180.0° |
C2 | C1 | C6 | C5 | 53.8° | 60.0° |
C1 | C2 | O12 | PA2 | 124.6° | 120.0° |
C1 | C2 | O12 | C3 | 119.6° | 120.0° |
C1 | C2 | O12 | H12 | 121.3° | 120.0° |
C1 | C2 | C3 | H12 | 121.2° | 120.0° |
C1 | C2 | C3 | C4 | 54.3° | 59.9° |
C1 | C2 | C3 | O13 | 167.9° | 180.0° |
C2 | C1 | C6 | H7 | 67.2° | 60.0° |
C1 | C2 | C3 | H15 | 67.2° | 60.0° |
C6 | C5 | O15 | C4 | 117.2° | 120.0° |
C6 | C5 | O15 | H4 | 120.1° | 120.0° |
C6 | C5 | C4 | H4 | 120.6° | 120.1° |
C6 | C5 | O15 | PA5 | 125.5° | 120.0° |
C6 | C5 | C4 | C3 | 60.7° | 60.0° |
C6 | C5 | C4 | O14 | 175.6° | 180.0° |
C6 | C5 | C4 | H3 | 61.1° | 59.9° |
C5 | C6 | O16 | H8 | 57.0° | 180.0° |
C5 | C6 | C1 | H9 | 67.6° | 60.0° |
O32 | PA2 | O12 | O42 | 118.4° | 120.0° |
O32 | PA2 | O12 | C2 | 163.5° | 175.0° |
O32 | PA2 | O42 | H14 | 136.6° | 60.1° |
PA2 | O12 | C2 | C3 | 115.7° | 120.0° |
PA2 | O12 | C2 | H12 | 3.3° | 0.0° |
O12 | PA2 | O32 | H13 | 111.8° | 180.0° |
O12 | PA2 | O42 | H14 | 122.0° | 59.9° |
O42 | PA2 | O12 | C2 | 78.0° | 65.0° |
O42 | PA2 | O32 | H13 | 136.4° | 60.0° |
O12 | C2 | C3 | H12 | 119.8° | 120.0° |
O12 | C2 | C3 | C4 | 64.7° | 60.0° |
O12 | C2 | C3 | O13 | 48.9° | 60.0° |
O12 | C2 | C1 | H9 | 171.3° | 180.0° |
O12 | C2 | C3 | H15 | 173.8° | 179.9° |
C2 | C3 | C4 | C5 | 60.7° | 59.9° |
C2 | C3 | C4 | O13 | 120.0° | 120.1° |
C2 | C3 | C4 | H15 | 121.4° | 119.9° |
C2 | C3 | O13 | H15 | 123.4° | 120.0° |
C2 | C3 | C4 | O14 | 177.4° | 180.0° |
C2 | C3 | O13 | PA3 | 94.7° | 120.0° |
C2 | C3 | C4 | H3 | 61.4° | 60.1° |
C3 | C2 | C1 | H9 | 71.8° | 60.1° |
O25 | PA5 | O15 | C5 | 129.1° | 55.0° |
O25 | PA5 | O15 | O35 | 121.1° | 120.0° |
O25 | PA5 | O15 | O45 | 118.2° | 120.1° |
O25 | PA5 | O35 | O45 | 140.6° | 120.1° |
O25 | PA5 | O35 | H5 | 0.0° | 180.0° |
O25 | PA5 | O45 | H6 | 120.6° | 60.0° |
O15 | C5 | C4 | H4 | 122.9° | 120.0° |
C5 | O15 | PA5 | O35 | 8.0° | 65.0° |
O15 | C5 | C4 | C3 | 177.3° | 180.0° |
C5 | O15 | PA5 | O45 | 112.7° | 175.0° |
O15 | C5 | C4 | O14 | 67.9° | 60.0° |
O15 | C5 | C4 | H3 | 55.5° | 60.0° |
O15 | C5 | C6 | H7 | 57.0° | 60.0° |
C4 | C5 | O15 | PA5 | 117.3° | 120.0° |
C5 | C4 | C3 | O14 | 116.7° | 120.1° |
C5 | C4 | C3 | H3 | 122.1° | 120.0° |
C5 | C4 | C3 | O13 | 179.4° | 180.0° |
C5 | C4 | O14 | H3 | 122.6° | 120.0° |
C5 | C4 | O14 | PA4 | 121.7° | 120.0° |
C4 | C5 | C6 | H7 | 61.7° | 59.9° |
C5 | C4 | C3 | H15 | 60.8° | 60.0° |
O15 | PA5 | O35 | O45 | 110.3° | 120.0° |
PA5 | O15 | C5 | H4 | 5.4° | 0.0° |
O15 | PA5 | O35 | H5 | 109.1° | 60.0° |
O15 | PA5 | O45 | H6 | 13.4° | 180.0° |
O35 | PA5 | O45 | H6 | 97.9° | 60.1° |
C4 | C3 | O13 | H15 | 116.6° | 119.9° |
C3 | C4 | O14 | H3 | 120.1° | 119.9° |
C4 | C3 | O13 | PA3 | 145.3° | 120.0° |
C3 | C4 | O14 | PA4 | 121.0° | 119.9° |
C3 | C4 | C5 | H4 | 59.9° | 60.1° |
C4 | C3 | C2 | H12 | 175.4° | 179.9° |
O13 | C3 | C4 | O14 | 62.6° | 59.9° |
C3 | O13 | PA3 | O43 | 84.8° | 55.0° |
C3 | O13 | PA3 | O33 | 46.5° | 65.0° |
C3 | O13 | PA3 | O23 | 158.8° | 175.0° |
O13 | C3 | C4 | H3 | 58.6° | 60.0° |
O13 | C3 | C2 | H12 | 71.0° | 60.0° |
O45 | PA5 | O35 | H5 | 140.6° | 60.0° |
C4 | O14 | PA4 | O34 | 79.4° | 55.0° |
C4 | O14 | PA4 | O24 | 37.5° | 65.0° |
C4 | O14 | PA4 | O44 | 166.4° | 175.0° |
O14 | C4 | C5 | H4 | 55.0° | 60.0° |
O14 | C4 | C3 | H15 | 56.0° | 60.1° |
O43 | PA3 | O13 | O33 | 131.3° | 120.0° |
O43 | PA3 | O13 | O23 | 116.4° | 120.0° |
O43 | PA3 | O33 | O23 | 125.7° | 120.0° |
O43 | PA3 | O23 | PB3 | 45.6° | 45.0° |
O43 | PA3 | O33 | H16 | 0.0° | 180.0° |
O13 | PA3 | O33 | O23 | 105.8° | 120.0° |
O13 | PA3 | O23 | PB3 | 71.6° | 165.0° |
PA3 | O13 | C3 | H15 | 28.7° | 0.0° |
O13 | PA3 | O33 | H16 | 128.5° | 60.0° |
O33 | PA3 | O23 | PB3 | 174.8° | 75.0° |
PA3 | O23 | PB3 | O53 | 39.1° | 45.0° |
PA3 | O23 | PB3 | O73 | 75.5° | 75.0° |
PA3 | O23 | PB3 | O63 | 156.1° | 165.0° |
O23 | PA3 | O33 | H16 | 125.7° | 60.0° |
O14 | PA4 | O34 | O24 | 117.5° | 119.9° |
O14 | PA4 | O34 | O44 | 110.0° | 120.0° |
O14 | PA4 | O24 | O44 | 120.9° | 120.0° |
O14 | PA4 | O24 | H1 | 111.1° | 60.1° |
O14 | PA4 | O44 | H2 | 107.7° | 180.0° |
PA4 | O14 | C4 | H3 | 0.9° | 0.0° |
O53 | PB3 | O73 | O23 | 109.7° | 120.1° |
O53 | PB3 | O73 | O63 | 136.9° | 119.9° |
O53 | PB3 | O23 | O63 | 117.0° | 119.9° |
O53 | PB3 | O63 | H17 | 0.0° | 60.1° |
O53 | PB3 | O73 | H18 | 0.0° | 180.0° |
O34 | PA4 | O24 | O44 | 128.0° | 120.0° |
O34 | PA4 | O24 | H1 | 0.0° | 180.0° |
O34 | PA4 | O44 | H2 | 0.0° | 60.0° |
O73 | PB3 | O23 | O63 | 128.4° | 120.0° |
O73 | PB3 | O63 | H17 | 135.5° | 59.9° |
O24 | PA4 | O44 | H2 | 128.1° | 60.0° |
O44 | PA4 | O24 | H1 | 128.0° | 59.9° |
O23 | PB3 | O63 | H17 | 108.5° | 179.9° |
O23 | PB3 | O73 | H18 | 109.7° | 60.0° |
O63 | PB3 | O73 | H18 | 136.9° | 60.0° |
H3 | C4 | C5 | H4 | 178.4° | 180.0° |
H3 | C4 | C3 | H15 | 177.2° | 180.0° |
H4 | C5 | C6 | H7 | 177.5° | 180.0° |
H7 | C6 | O16 | H8 | 61.1° | 60.0° |
H7 | C6 | C1 | H9 | 171.4° | 180.0° |
H9 | C1 | C2 | H12 | 49.3° | 59.9° |
H12 | C2 | C3 | H15 | 54.0° | 60.0° |