GOS
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O61 | P6 | doub | 1.48Å | 1.53Å | |
O62 | P6 | sing | 1.61Å | 1.52Å | |
P6 | O63 | sing | 1.61Å | 1.50Å | |
P6 | O6 | sing | 1.61Å | 1.61Å | |
O6 | C6 | sing | 1.43Å | 1.43Å | |
C6 | C5 | sing | 1.53Å | 1.52Å | |
O12 | P1 | doub | 1.48Å | 1.51Å | |
O5 | C5 | sing | 1.43Å | 1.41Å | |
O11 | P1 | sing | 1.61Å | 1.52Å | |
C5 | C4 | sing | 1.53Å | 1.51Å | |
O4 | C4 | sing | 1.43Å | 1.42Å | |
C4 | C3 | sing | 1.53Å | 1.53Å | |
P1 | O1 | sing | 1.61Å | 1.60Å | |
P1 | O13 | sing | 1.61Å | 1.51Å | |
O1 | C1 | sing | 1.43Å | 1.42Å | |
C1 | C2 | sing | 1.53Å | 1.52Å | |
C3 | C2 | sing | 1.53Å | 1.53Å | |
C3 | O3 | sing | 1.43Å | 1.42Å | |
C2 | O2 | sing | 1.43Å | 1.43Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C2 | H21 | sing | 1.09Å | 1.10Å | |
C3 | H31 | sing | 1.09Å | 1.10Å | |
C4 | H41 | sing | 1.09Å | 1.10Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O11 | H1 | sing | 0.97Å | 0.95Å | |
O13 | H2 | sing | 0.97Å | 0.95Å | |
O2 | H22 | sing | 0.97Å | 0.95Å | |
O3 | H32 | sing | 0.97Å | 0.95Å | |
O4 | H42 | sing | 0.97Å | 0.95Å | |
O5 | H52 | sing | 0.97Å | 0.95Å | |
O62 | H3 | sing | 0.97Å | 0.95Å | |
O63 | H4 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O61 | P6 | O62 | 111.0° | 109.5° |
O61 | P6 | O63 | 110.9° | 109.5° |
O61 | P6 | O6 | 109.5° | 109.4° |
O62 | P6 | O63 | 111.6° | 109.5° |
O62 | P6 | O6 | 107.1° | 109.5° |
P6 | O62 | H3 | 109.5° | 114.0° |
O63 | P6 | O6 | 106.6° | 109.5° |
P6 | O63 | H4 | 109.5° | 114.0° |
P6 | O6 | C6 | 119.8° | 123.0° |
O6 | C6 | C5 | 108.4° | 109.4° |
O6 | C6 | H61 | 109.8° | 109.5° |
O6 | C6 | H62 | 109.7° | 109.5° |
C6 | C5 | O5 | 107.3° | 109.5° |
C6 | C5 | C4 | 115.5° | 109.5° |
C6 | C5 | H51 | 109.4° | 109.5° |
C5 | C6 | H61 | 109.7° | 109.4° |
C5 | C6 | H62 | 109.7° | 109.4° |
O12 | P1 | O11 | 112.8° | 109.5° |
O12 | P1 | O1 | 106.0° | 109.5° |
O12 | P1 | O13 | 110.6° | 109.4° |
O5 | C5 | C4 | 103.7° | 109.4° |
O5 | C5 | H51 | 111.1° | 109.4° |
C5 | O5 | H52 | 109.5° | 114.0° |
O11 | P1 | O1 | 106.1° | 109.5° |
O11 | P1 | O13 | 112.9° | 109.5° |
P1 | O11 | H1 | 109.5° | 114.0° |
C5 | C4 | O4 | 111.7° | 109.5° |
C5 | C4 | C3 | 107.6° | 109.5° |
C5 | C4 | H41 | 109.1° | 109.5° |
C4 | C5 | H51 | 109.6° | 109.5° |
O4 | C4 | C3 | 109.0° | 109.4° |
O4 | C4 | H41 | 110.4° | 109.4° |
C4 | O4 | H42 | 109.5° | 113.9° |
C4 | C3 | C2 | 110.6° | 109.5° |
C4 | C3 | O3 | 107.1° | 109.5° |
C4 | C3 | H31 | 108.5° | 109.5° |
C3 | C4 | H41 | 108.9° | 109.5° |
O1 | P1 | O13 | 108.1° | 109.5° |
P1 | O1 | C1 | 117.9° | 123.0° |
P1 | O13 | H2 | 109.5° | 114.0° |
O1 | C1 | C2 | 107.5° | 109.5° |
O1 | C1 | H12 | 110.0° | 109.5° |
O1 | C1 | H11 | 110.0° | 109.5° |
C1 | C2 | C3 | 109.2° | 109.5° |
C1 | C2 | O2 | 107.0° | 109.5° |
C2 | C1 | H12 | 110.0° | 109.4° |
C2 | C1 | H11 | 110.0° | 109.5° |
C1 | C2 | H21 | 108.5° | 109.4° |
C2 | C3 | O3 | 112.1° | 109.5° |
C3 | C2 | O2 | 114.1° | 109.5° |
C3 | C2 | H21 | 108.3° | 109.5° |
C2 | C3 | H31 | 108.6° | 109.5° |
O3 | C3 | H31 | 110.0° | 109.5° |
C3 | O3 | H32 | 109.5° | 114.0° |
O2 | C2 | H21 | 109.6° | 109.5° |
C2 | O2 | H22 | 109.5° | 114.0° |
H12 | C1 | H11 | 109.4° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O61 | P6 | O62 | O63 | 124.2° | 120.0° |
O61 | P6 | O62 | O6 | 119.5° | 120.0° |
O61 | P6 | O63 | O6 | 119.1° | 119.9° |
O61 | P6 | O6 | C6 | 73.0° | 55.0° |
O61 | P6 | O62 | H3 | 0.0° | 60.0° |
O61 | P6 | O63 | H4 | 0.0° | 180.0° |
O62 | P6 | O63 | O6 | 116.5° | 120.0° |
O62 | P6 | O6 | C6 | 47.5° | 175.0° |
O62 | P6 | O63 | H4 | 124.3° | 60.0° |
O63 | P6 | O6 | C6 | 167.0° | 64.9° |
O63 | P6 | O62 | H3 | 124.2° | 60.0° |
P6 | O6 | C6 | C5 | 179.3° | 180.0° |
P6 | O6 | C6 | H61 | 59.5° | 60.0° |
P6 | O6 | C6 | H62 | 60.8° | 60.1° |
O6 | P6 | O62 | H3 | 119.5° | 180.0° |
O6 | P6 | O63 | H4 | 119.1° | 60.1° |
O6 | C6 | C5 | H61 | 119.9° | 120.0° |
O6 | C6 | C5 | H62 | 119.8° | 120.0° |
O6 | C6 | C5 | O5 | 64.6° | 65.0° |
O6 | C6 | C5 | C4 | 179.7° | 175.0° |
O6 | C6 | C5 | H51 | 56.1° | 55.0° |
O6 | C6 | H61 | H62 | 120.5° | 120.1° |
C6 | C5 | O5 | C4 | 122.7° | 120.0° |
C6 | C5 | O5 | H51 | 119.6° | 120.0° |
C6 | C5 | C4 | H51 | 124.2° | 120.1° |
C6 | C5 | C4 | O4 | 53.1° | 60.0° |
C6 | C5 | C4 | C3 | 172.7° | 180.0° |
C6 | C5 | C4 | H41 | 69.3° | 60.0° |
C5 | C6 | H61 | H62 | 120.5° | 120.0° |
C6 | C5 | O5 | H52 | 180.0° | 60.0° |
O12 | P1 | O11 | O1 | 115.6° | 120.0° |
O12 | P1 | O11 | O13 | 126.2° | 120.0° |
O12 | P1 | O1 | O13 | 118.6° | 120.0° |
O12 | P1 | O1 | C1 | 53.7° | 55.0° |
O12 | P1 | O11 | H1 | 0.0° | 179.9° |
O12 | P1 | O13 | H2 | 0.0° | 60.1° |
O5 | C5 | C4 | H51 | 118.7° | 120.0° |
O5 | C5 | C4 | O4 | 170.2° | 180.0° |
O5 | C5 | C4 | C3 | 70.2° | 60.0° |
O5 | C5 | C4 | H41 | 47.8° | 60.0° |
O5 | C5 | C6 | H61 | 55.3° | 175.0° |
O5 | C5 | C6 | H62 | 175.6° | 55.0° |
O11 | P1 | O1 | O13 | 121.3° | 120.0° |
O11 | P1 | O1 | C1 | 173.9° | 65.0° |
O11 | P1 | O13 | H2 | 127.4° | 59.9° |
C5 | C4 | O4 | C3 | 118.8° | 120.0° |
C5 | C4 | O4 | H41 | 121.6° | 120.1° |
C5 | C4 | C3 | H41 | 118.2° | 120.1° |
C5 | C4 | C3 | C2 | 136.8° | 175.0° |
C5 | C4 | C3 | O3 | 100.9° | 55.0° |
C5 | C4 | C3 | H31 | 17.7° | 65.0° |
C4 | C5 | C6 | H61 | 59.8° | 55.1° |
C4 | C5 | C6 | H62 | 60.5° | 65.0° |
C5 | C4 | O4 | H42 | 180.0° | 59.9° |
C4 | C5 | O5 | H52 | 57.3° | 60.0° |
O4 | C4 | C3 | H41 | 120.5° | 119.9° |
O4 | C4 | C3 | C2 | 101.9° | 55.0° |
O4 | C4 | C3 | O3 | 20.4° | 65.0° |
O4 | C4 | C3 | H31 | 139.0° | 175.0° |
O4 | C4 | C5 | H51 | 71.1° | 60.0° |
C4 | C3 | C2 | C1 | 92.5° | 175.0° |
C4 | C3 | C2 | O3 | 119.3° | 120.0° |
C4 | C3 | C2 | H31 | 119.0° | 120.0° |
C4 | C3 | O3 | H31 | 117.7° | 120.0° |
C4 | C3 | C2 | O2 | 147.8° | 55.0° |
C4 | C3 | C2 | H21 | 25.5° | 65.0° |
C3 | C4 | C5 | H51 | 48.5° | 59.9° |
C4 | C3 | O3 | H32 | 180.0° | 60.0° |
C3 | C4 | O4 | H42 | 61.2° | 60.1° |
P1 | O1 | C1 | C2 | 168.7° | 180.0° |
P1 | O1 | C1 | H12 | 49.0° | 60.1° |
P1 | O1 | C1 | H11 | 71.6° | 60.0° |
O1 | P1 | O11 | H1 | 115.6° | 60.0° |
O1 | P1 | O13 | H2 | 115.6° | 179.9° |
O13 | P1 | O1 | C1 | 64.8° | 175.0° |
O13 | P1 | O11 | H1 | 126.2° | 60.0° |
O1 | C1 | C2 | H12 | 119.7° | 120.0° |
O1 | C1 | C2 | H11 | 119.7° | 120.0° |
O1 | C1 | C2 | C3 | 159.5° | 175.0° |
O1 | C1 | C2 | O2 | 76.5° | 65.0° |
O1 | C1 | H12 | H11 | 120.9° | 120.1° |
O1 | C1 | C2 | H21 | 41.6° | 55.0° |
C1 | C2 | C3 | O2 | 119.7° | 120.0° |
C1 | C2 | C3 | H21 | 118.0° | 120.0° |
C1 | C2 | C3 | O3 | 148.2° | 55.0° |
C1 | C2 | O2 | H21 | 117.4° | 119.9° |
C2 | C1 | H12 | H11 | 120.9° | 120.0° |
C1 | C2 | C3 | H31 | 26.5° | 65.0° |
C1 | C2 | O2 | H22 | 180.0° | 60.0° |
C2 | C3 | O3 | H31 | 120.9° | 120.0° |
C3 | C2 | O2 | H21 | 121.6° | 120.0° |
C3 | C2 | C1 | H12 | 39.8° | 65.0° |
C3 | C2 | C1 | H11 | 80.8° | 55.0° |
C2 | C3 | C4 | H41 | 18.6° | 65.0° |
C3 | C2 | O2 | H22 | 59.0° | 60.0° |
C2 | C3 | O3 | H32 | 58.6° | 60.0° |
O3 | C3 | C2 | O2 | 28.5° | 65.0° |
O3 | C3 | C2 | H21 | 93.9° | 175.0° |
O3 | C3 | C4 | H41 | 140.9° | 175.0° |
O2 | C2 | C1 | H12 | 163.8° | 55.0° |
O2 | C2 | C1 | H11 | 43.2° | 175.0° |
O2 | C2 | C3 | H31 | 93.2° | 175.0° |
H12 | C1 | C2 | H21 | 78.1° | 175.0° |
H11 | C1 | C2 | H21 | 161.3° | 65.1° |
H21 | C2 | C3 | H31 | 144.5° | 55.0° |
H21 | C2 | O2 | H22 | 62.6° | 179.9° |
H31 | C3 | C4 | H41 | 100.4° | 55.1° |
H31 | C3 | O3 | H32 | 62.3° | 180.0° |
H41 | C4 | C5 | H51 | 166.6° | 180.0° |
H41 | C4 | O4 | H42 | 58.4° | 180.0° |
H51 | C5 | C6 | H61 | 175.9° | 65.0° |
H51 | C5 | C6 | H62 | 63.8° | 175.0° |
H51 | C5 | O5 | H52 | 60.4° | 180.0° |