06G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | P4 | doub | 1.48Å | 1.51Å | |
| O41 | P4 | sing | 1.61Å | 1.51Å | |
| P4 | O43 | sing | 1.61Å | 1.51Å | |
| P4 | O4 | sing | 1.61Å | 1.62Å | |
| O3 | C3 | sing | 1.43Å | 1.42Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C5 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| O11 | P1 | doub | 1.48Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| O1 | P1 | sing | 1.61Å | 1.63Å | |
| P1 | O12 | sing | 1.61Å | 1.51Å | |
| P1 | O13 | sing | 1.61Å | 1.51Å | |
| O6 | P6 | sing | 1.61Å | 1.62Å | |
| O62 | P6 | doub | 1.48Å | 1.51Å | |
| O61 | P6 | sing | 1.61Å | 1.51Å | |
| P6 | O63 | sing | 1.61Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O13 | H7 | sing | 0.97Å | 0.95Å | |
| O41 | H8 | sing | 0.97Å | 0.95Å | |
| O43 | H9 | sing | 0.97Å | 0.95Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| O2 | H11 | sing | 0.97Å | 0.95Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| O61 | H13 | sing | 0.97Å | 0.95Å | |
| O63 | H14 | sing | 0.97Å | 0.95Å | |
| O5 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | P4 | O41 | 111.7° | 109.5° |
| O42 | P4 | O43 | 112.6° | 109.5° |
| O42 | P4 | O4 | 106.0° | 109.4° |
| O41 | P4 | O43 | 113.5° | 109.5° |
| O41 | P4 | O4 | 109.5° | 109.4° |
| P4 | O41 | H8 | 109.5° | 114.0° |
| O43 | P4 | O4 | 102.8° | 109.5° |
| P4 | O43 | H9 | 109.5° | 114.0° |
| P4 | O4 | C4 | 127.3° | 123.0° |
| O3 | C3 | C4 | 108.7° | 109.5° |
| O3 | C3 | C2 | 110.7° | 109.5° |
| O3 | C3 | H3 | 109.5° | 109.5° |
| C3 | O3 | H10 | 109.5° | 114.0° |
| O4 | C4 | C3 | 107.0° | 109.5° |
| O4 | C4 | C5 | 109.8° | 109.5° |
| O4 | C4 | H4 | 110.4° | 109.4° |
| O2 | C2 | C3 | 111.4° | 109.5° |
| O2 | C2 | C1 | 108.4° | 109.5° |
| O2 | C2 | H2 | 110.1° | 109.4° |
| C2 | O2 | H11 | 109.5° | 114.0° |
| C4 | C3 | C2 | 111.8° | 109.4° |
| C3 | C4 | C5 | 111.0° | 109.5° |
| C4 | C3 | H3 | 108.1° | 109.5° |
| C3 | C4 | H4 | 109.3° | 109.5° |
| C3 | C2 | C1 | 109.1° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C2 | C3 | H3 | 108.1° | 109.5° |
| C4 | C5 | O5 | 112.1° | 109.4° |
| C4 | C5 | C6 | 107.2° | 109.5° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| C2 | C1 | C6 | 110.9° | 109.5° |
| C2 | C1 | O1 | 108.7° | 109.5° |
| C2 | C1 | H1 | 109.1° | 109.5° |
| C1 | C2 | H2 | 108.9° | 109.5° |
| O5 | C5 | C6 | 109.3° | 109.5° |
| O5 | C5 | H5 | 110.2° | 109.5° |
| C5 | O5 | H15 | 109.5° | 114.0° |
| C5 | C6 | C1 | 113.1° | 109.5° |
| C5 | C6 | O6 | 107.9° | 109.4° |
| C6 | C5 | H5 | 109.0° | 109.5° |
| C5 | C6 | H6 | 108.7° | 109.5° |
| O11 | P1 | O1 | 108.2° | 109.4° |
| O11 | P1 | O12 | 112.5° | 109.5° |
| O11 | P1 | O13 | 112.4° | 109.5° |
| C6 | C1 | O1 | 108.9° | 109.5° |
| C1 | C6 | O6 | 108.6° | 109.5° |
| C6 | C1 | H1 | 109.1° | 109.5° |
| C1 | C6 | H6 | 108.7° | 109.5° |
| C1 | O1 | P1 | 123.1° | 123.0° |
| O1 | C1 | H1 | 110.1° | 109.5° |
| C6 | O6 | P6 | 132.0° | 123.0° |
| O6 | C6 | H6 | 109.8° | 109.4° |
| O1 | P1 | O12 | 105.8° | 109.5° |
| O1 | P1 | O13 | 105.4° | 109.4° |
| O12 | P1 | O13 | 112.0° | 109.5° |
| P1 | O12 | H12 | 109.5° | 114.0° |
| P1 | O13 | H7 | 109.5° | 114.0° |
| O6 | P6 | O62 | 104.9° | 109.5° |
| O6 | P6 | O61 | 105.1° | 109.4° |
| O6 | P6 | O63 | 105.5° | 109.4° |
| O62 | P6 | O61 | 113.5° | 109.5° |
| O62 | P6 | O63 | 113.4° | 109.5° |
| O61 | P6 | O63 | 113.4° | 109.5° |
| P6 | O61 | H13 | 109.5° | 114.1° |
| P6 | O63 | H14 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | P4 | O41 | O43 | 128.6° | 120.1° |
| O42 | P4 | O41 | O4 | 117.1° | 120.0° |
| O42 | P4 | O43 | O4 | 113.7° | 120.0° |
| O42 | P4 | O4 | C4 | 51.6° | 55.0° |
| O42 | P4 | O41 | H8 | 0.0° | 180.0° |
| O42 | P4 | O43 | H9 | 0.0° | 60.0° |
| O41 | P4 | O43 | O4 | 118.2° | 120.0° |
| O41 | P4 | O4 | C4 | 172.3° | 65.0° |
| O41 | P4 | O43 | H9 | 128.2° | 60.0° |
| O43 | P4 | O4 | C4 | 66.8° | 175.0° |
| O43 | P4 | O41 | H8 | 128.6° | 60.0° |
| P4 | O4 | C4 | C3 | 94.9° | 120.0° |
| P4 | O4 | C4 | C5 | 144.6° | 120.0° |
| P4 | O4 | C4 | H4 | 23.9° | 0.0° |
| O4 | P4 | O41 | H8 | 117.2° | 60.0° |
| O4 | P4 | O43 | H9 | 113.7° | 180.0° |
| O3 | C3 | C4 | O4 | 58.3° | 60.0° |
| O3 | C3 | C2 | O2 | 57.8° | 59.9° |
| O3 | C3 | C4 | C2 | 122.5° | 120.0° |
| O3 | C3 | C4 | H3 | 118.7° | 120.1° |
| O3 | C3 | C2 | H3 | 119.8° | 120.1° |
| O3 | C3 | C4 | C5 | 178.0° | 180.0° |
| O3 | C3 | C2 | C1 | 177.5° | 180.0° |
| O3 | C3 | C2 | H2 | 63.8° | 60.0° |
| O3 | C3 | C4 | H4 | 61.3° | 59.9° |
| O4 | C4 | C3 | C5 | 119.7° | 120.0° |
| O4 | C4 | C3 | H4 | 119.6° | 120.0° |
| O4 | C4 | C3 | C2 | 179.2° | 180.0° |
| O4 | C4 | C5 | H4 | 121.3° | 120.0° |
| O4 | C4 | C5 | O5 | 64.2° | 60.0° |
| O4 | C4 | C5 | C6 | 175.9° | 180.0° |
| O4 | C4 | C3 | H3 | 60.4° | 60.0° |
| O4 | C4 | C5 | H5 | 58.1° | 60.0° |
| O2 | C2 | C3 | C4 | 63.5° | 60.0° |
| O2 | C2 | C3 | C1 | 119.7° | 120.0° |
| O2 | C2 | C3 | H2 | 121.6° | 120.0° |
| O2 | C2 | C1 | H2 | 119.8° | 120.0° |
| O2 | C2 | C1 | C6 | 67.1° | 60.0° |
| O2 | C2 | C1 | O1 | 52.7° | 60.0° |
| O2 | C2 | C1 | H1 | 172.8° | 180.0° |
| O2 | C2 | C3 | H3 | 177.7° | 180.0° |
| C4 | C3 | C2 | H3 | 118.8° | 120.0° |
| C3 | C4 | C5 | H4 | 120.6° | 120.0° |
| C4 | C3 | C2 | C1 | 56.1° | 60.0° |
| C3 | C4 | C5 | O5 | 177.8° | 180.0° |
| C3 | C4 | C5 | C6 | 57.9° | 60.0° |
| C4 | C3 | C2 | H2 | 174.8° | 180.0° |
| C3 | C4 | C5 | H5 | 59.9° | 60.0° |
| C4 | C3 | O3 | H10 | 16.9° | 180.0° |
| C2 | C3 | C4 | C5 | 59.5° | 60.0° |
| C3 | C2 | C1 | H2 | 118.6° | 120.0° |
| C3 | C2 | C1 | C6 | 54.4° | 60.0° |
| C3 | C2 | C1 | O1 | 174.2° | 180.0° |
| C3 | C2 | C1 | H1 | 65.7° | 59.9° |
| C2 | C3 | C4 | H4 | 61.2° | 60.0° |
| C2 | C3 | O3 | H10 | 140.1° | 60.1° |
| C3 | C2 | O2 | H11 | 180.0° | 59.9° |
| C4 | C5 | O5 | C6 | 118.7° | 120.0° |
| C4 | C5 | O5 | H5 | 121.6° | 120.0° |
| C4 | C5 | C6 | H5 | 117.8° | 120.0° |
| C4 | C5 | C6 | C1 | 58.0° | 60.0° |
| C4 | C5 | C6 | O6 | 178.3° | 180.0° |
| C5 | C4 | C3 | H3 | 59.3° | 60.0° |
| C4 | C5 | C6 | H6 | 62.8° | 60.0° |
| C4 | C5 | O5 | H15 | 141.0° | 60.0° |
| C2 | C1 | C6 | C5 | 57.9° | 60.0° |
| C2 | C1 | C6 | O1 | 119.6° | 120.0° |
| C2 | C1 | C6 | H1 | 120.2° | 120.0° |
| C2 | C1 | O1 | H1 | 119.5° | 120.0° |
| C2 | C1 | C6 | O6 | 177.7° | 180.0° |
| C2 | C1 | O1 | P1 | 90.7° | 120.0° |
| C1 | C2 | C3 | H3 | 62.7° | 60.0° |
| C2 | C1 | C6 | H6 | 63.0° | 60.0° |
| C1 | C2 | O2 | H11 | 59.9° | 180.0° |
| O5 | C5 | C6 | H5 | 120.5° | 120.0° |
| O5 | C5 | C6 | C1 | 179.7° | 180.0° |
| O5 | C5 | C6 | O6 | 60.1° | 60.0° |
| O5 | C5 | C4 | H4 | 57.2° | 60.0° |
| O5 | C5 | C6 | H6 | 58.9° | 59.9° |
| C5 | C6 | C1 | O6 | 119.8° | 120.0° |
| C5 | C6 | C1 | H6 | 120.8° | 120.0° |
| C5 | C6 | C1 | O1 | 177.5° | 180.0° |
| C5 | C6 | O6 | H6 | 118.3° | 119.9° |
| C5 | C6 | O6 | P6 | 101.2° | 120.0° |
| C5 | C6 | C1 | H1 | 62.3° | 60.0° |
| C6 | C5 | C4 | H4 | 62.7° | 60.0° |
| C6 | C5 | O5 | H15 | 22.4° | 180.0° |
| O11 | P1 | O1 | C1 | 59.7° | 55.0° |
| O11 | P1 | O1 | O12 | 120.8° | 120.0° |
| O11 | P1 | O1 | O13 | 120.4° | 120.0° |
| O11 | P1 | O12 | O13 | 127.8° | 120.1° |
| O11 | P1 | O13 | H7 | 0.0° | 180.0° |
| O11 | P1 | O12 | H12 | 0.0° | 60.0° |
| C6 | C1 | O1 | H1 | 119.6° | 120.0° |
| C1 | C6 | O6 | H6 | 118.7° | 120.1° |
| C6 | C1 | O1 | P1 | 148.3° | 120.0° |
| C1 | C6 | O6 | P6 | 135.8° | 120.0° |
| C6 | C1 | C2 | H2 | 173.1° | 180.0° |
| C1 | C6 | C5 | H5 | 59.8° | 60.0° |
| O1 | C1 | C6 | O6 | 62.7° | 60.0° |
| C1 | O1 | P1 | O12 | 179.5° | 175.0° |
| C1 | O1 | P1 | O13 | 60.7° | 65.0° |
| O1 | C1 | C2 | H2 | 67.2° | 60.0° |
| O1 | C1 | C6 | H6 | 56.7° | 60.0° |
| C6 | O6 | P6 | O62 | 59.2° | 55.0° |
| C6 | O6 | P6 | O61 | 60.7° | 65.0° |
| C6 | O6 | P6 | O63 | 179.2° | 175.0° |
| O6 | C6 | C1 | H1 | 57.5° | 60.0° |
| O6 | C6 | C5 | H5 | 60.5° | 60.0° |
| O1 | P1 | O12 | O13 | 114.3° | 120.0° |
| P1 | O1 | C1 | H1 | 28.7° | 0.0° |
| O1 | P1 | O13 | H7 | 117.6° | 60.0° |
| O1 | P1 | O12 | H12 | 117.9° | 180.0° |
| O12 | P1 | O13 | H7 | 127.8° | 60.0° |
| O13 | P1 | O12 | H12 | 127.8° | 60.0° |
| O6 | P6 | O62 | O61 | 114.1° | 120.0° |
| O6 | P6 | O62 | O63 | 114.5° | 120.0° |
| O6 | P6 | O61 | O63 | 114.7° | 119.9° |
| P6 | O6 | C6 | H6 | 17.1° | 0.0° |
| O6 | P6 | O61 | H13 | 114.0° | 60.0° |
| O6 | P6 | O63 | H14 | 114.2° | 180.0° |
| O62 | P6 | O61 | O63 | 131.3° | 120.0° |
| O62 | P6 | O61 | H13 | 0.0° | 180.0° |
| O62 | P6 | O63 | H14 | 0.0° | 60.0° |
| O61 | P6 | O63 | H14 | 131.4° | 60.0° |
| O63 | P6 | O61 | H13 | 131.4° | 60.0° |
| H1 | C1 | C2 | H2 | 52.9° | 60.1° |
| H1 | C1 | C6 | H6 | 176.9° | 180.0° |
| H2 | C2 | C3 | H3 | 56.0° | 60.0° |
| H2 | C2 | O2 | H11 | 59.2° | 60.0° |
| H3 | C3 | C4 | H4 | 180.0° | 180.0° |
| H3 | C3 | O3 | H10 | 100.9° | 59.9° |
| H4 | C4 | C5 | H5 | 179.5° | 180.0° |
| H5 | C5 | C6 | H6 | 179.5° | 180.0° |
| H5 | C5 | O5 | H15 | 97.4° | 60.0° |
