6II
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O04 | P1 | doub | 1.48Å | 1.52Å | |
| O03 | P1 | sing | 1.61Å | 1.51Å | |
| P1 | O02 | sing | 1.61Å | 1.51Å | |
| P1 | O01 | sing | 1.61Å | 1.62Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| O01 | C1 | sing | 1.43Å | 1.35Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| O5 | C1 | sing | 1.43Å | 1.42Å | |
| O5 | C5 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C2 | O2 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | O09 | sing | 1.43Å | 1.44Å | |
| C3 | O08 | sing | 1.43Å | 1.44Å | |
| O09 | P4 | sing | 1.61Å | 1.62Å | |
| O10 | P4 | doub | 1.48Å | 1.51Å | |
| P4 | O11 | sing | 1.61Å | 1.51Å | |
| P4 | O12 | sing | 1.61Å | 1.52Å | |
| O08 | P3 | sing | 1.61Å | 1.62Å | |
| O06 | P3 | doub | 1.48Å | 1.51Å | |
| O07 | P3 | sing | 1.61Å | 1.51Å | |
| P3 | O05 | sing | 1.61Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O03 | H7 | sing | 0.97Å | 0.95Å | |
| O02 | H8 | sing | 0.97Å | 0.95Å | |
| O11 | H9 | sing | 0.97Å | 0.95Å | |
| O12 | H10 | sing | 0.97Å | 0.95Å | |
| O05 | H11 | sing | 0.97Å | 0.95Å | |
| O07 | H12 | sing | 0.97Å | 0.95Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| O2 | H14 | sing | 0.97Å | 0.95Å | |
| O6 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O04 | P1 | O03 | 112.5° | 109.4° |
| O04 | P1 | O02 | 112.7° | 109.5° |
| O04 | P1 | O01 | 106.0° | 109.5° |
| O03 | P1 | O02 | 113.8° | 109.5° |
| O03 | P1 | O01 | 108.2° | 109.5° |
| P1 | O03 | H7 | 109.5° | 114.0° |
| O02 | P1 | O01 | 102.7° | 109.5° |
| P1 | O02 | H8 | 109.5° | 114.0° |
| P1 | O01 | C1 | 129.1° | 123.0° |
| O6 | C6 | C5 | 111.8° | 109.5° |
| O6 | C6 | H5 | 108.9° | 109.4° |
| O6 | C6 | H6 | 108.9° | 109.4° |
| C6 | O6 | H15 | 109.5° | 114.0° |
| O01 | C1 | O5 | 105.2° | 109.5° |
| O01 | C1 | C2 | 112.5° | 109.5° |
| O01 | C1 | H13 | 110.8° | 109.5° |
| C6 | C5 | O5 | 107.9° | 109.5° |
| C6 | C5 | C4 | 113.3° | 109.5° |
| C6 | C5 | H4 | 108.6° | 109.5° |
| C5 | C6 | H5 | 108.9° | 109.5° |
| C5 | C6 | H6 | 108.9° | 109.5° |
| C1 | O5 | C5 | 112.6° | 114.1° |
| O5 | C1 | C2 | 110.3° | 109.4° |
| O5 | C1 | H13 | 109.7° | 109.5° |
| O5 | C5 | C4 | 108.9° | 109.4° |
| O5 | C5 | H4 | 109.6° | 109.5° |
| C1 | C2 | O2 | 110.2° | 109.5° |
| C1 | C2 | C3 | 108.1° | 109.2° |
| C1 | C2 | H1 | 108.6° | 109.6° |
| C2 | C1 | H13 | 108.3° | 109.5° |
| C5 | C4 | C3 | 109.7° | 109.1° |
| C5 | C4 | O09 | 109.0° | 109.5° |
| C5 | C4 | H3 | 109.4° | 109.5° |
| C4 | C5 | H4 | 108.5° | 109.5° |
| O2 | C2 | C3 | 111.4° | 109.5° |
| O2 | C2 | H1 | 109.9° | 109.6° |
| C2 | O2 | H14 | 109.5° | 114.0° |
| C2 | C3 | C4 | 110.4° | 109.0° |
| C2 | C3 | O08 | 110.5° | 109.5° |
| C3 | C2 | H1 | 108.6° | 109.5° |
| C2 | C3 | H2 | 108.7° | 109.5° |
| C3 | C4 | O09 | 108.8° | 109.5° |
| C4 | C3 | O08 | 108.9° | 109.5° |
| C4 | C3 | H2 | 108.7° | 109.6° |
| C3 | C4 | H3 | 109.4° | 109.5° |
| C4 | O09 | P4 | 131.2° | 123.0° |
| O09 | C4 | H3 | 110.5° | 109.6° |
| C3 | O08 | P3 | 129.6° | 123.0° |
| O08 | C3 | H2 | 109.7° | 109.6° |
| O09 | P4 | O10 | 106.8° | 109.5° |
| O09 | P4 | O11 | 103.9° | 109.4° |
| O09 | P4 | O12 | 105.8° | 109.4° |
| O10 | P4 | O11 | 113.1° | 109.5° |
| O10 | P4 | O12 | 113.0° | 109.5° |
| O11 | P4 | O12 | 113.3° | 109.5° |
| P4 | O11 | H9 | 109.5° | 114.0° |
| P4 | O12 | H10 | 109.5° | 114.0° |
| O08 | P3 | O06 | 102.2° | 109.5° |
| O08 | P3 | O07 | 107.3° | 109.4° |
| O08 | P3 | O05 | 106.6° | 109.4° |
| O06 | P3 | O07 | 113.0° | 109.5° |
| O06 | P3 | O05 | 113.5° | 109.5° |
| O07 | P3 | O05 | 113.1° | 109.5° |
| P3 | O07 | H12 | 109.5° | 114.0° |
| P3 | O05 | H11 | 109.5° | 114.0° |
| H5 | C6 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O04 | P1 | O03 | O02 | 129.8° | 120.0° |
| O04 | P1 | O03 | O01 | 116.7° | 120.0° |
| O04 | P1 | O02 | O01 | 113.6° | 120.0° |
| O04 | P1 | O01 | C1 | 50.5° | 55.0° |
| O04 | P1 | O03 | H7 | 0.0° | 60.1° |
| O04 | P1 | O02 | H8 | 0.0° | 180.0° |
| O03 | P1 | O02 | O01 | 116.7° | 120.0° |
| O03 | P1 | O01 | C1 | 171.4° | 175.0° |
| O03 | P1 | O02 | H8 | 129.6° | 60.1° |
| O02 | P1 | O01 | C1 | 68.0° | 65.0° |
| O02 | P1 | O03 | H7 | 129.8° | 59.9° |
| P1 | O01 | C1 | O5 | 87.8° | 90.1° |
| P1 | O01 | C1 | C2 | 152.0° | 150.0° |
| O01 | P1 | O03 | H7 | 116.7° | 180.0° |
| O01 | P1 | O02 | H8 | 113.7° | 60.0° |
| P1 | O01 | C1 | H13 | 30.6° | 30.0° |
| O6 | C6 | C5 | H5 | 120.3° | 120.0° |
| O6 | C6 | C5 | H6 | 120.3° | 120.0° |
| O6 | C6 | C5 | O5 | 70.9° | 65.1° |
| O6 | C6 | C5 | C4 | 168.4° | 175.0° |
| O6 | C6 | C5 | H4 | 47.8° | 55.0° |
| O6 | C6 | H5 | H6 | 118.9° | 120.0° |
| O01 | C1 | O5 | C2 | 121.5° | 120.0° |
| O01 | C1 | O5 | H13 | 119.2° | 120.1° |
| O01 | C1 | O5 | C5 | 175.6° | 178.9° |
| O01 | C1 | C2 | H13 | 122.8° | 120.0° |
| O01 | C1 | C2 | O2 | 62.9° | 62.5° |
| O01 | C1 | C2 | C3 | 175.2° | 177.6° |
| O01 | C1 | C2 | H1 | 57.6° | 57.7° |
| C6 | C5 | O5 | C1 | 175.0° | 178.9° |
| C6 | C5 | O5 | C4 | 123.3° | 120.0° |
| C6 | C5 | O5 | H4 | 118.1° | 120.0° |
| C6 | C5 | C4 | H4 | 120.6° | 120.0° |
| C6 | C5 | C4 | C3 | 177.4° | 177.6° |
| C6 | C5 | C4 | O09 | 63.5° | 62.5° |
| C6 | C5 | C4 | H3 | 57.4° | 57.7° |
| C5 | C6 | H5 | H6 | 119.0° | 120.1° |
| C5 | C6 | O6 | H15 | 180.0° | 180.0° |
| O5 | C1 | C2 | H13 | 120.1° | 120.0° |
| C1 | O5 | C5 | C4 | 61.7° | 61.2° |
| O5 | C1 | C2 | O2 | 180.0° | 177.5° |
| O5 | C1 | C2 | C3 | 58.1° | 57.6° |
| O5 | C1 | C2 | H1 | 59.5° | 62.3° |
| C1 | O5 | C5 | H4 | 56.9° | 58.8° |
| C5 | O5 | C1 | C2 | 62.9° | 61.1° |
| O5 | C5 | C4 | H4 | 119.3° | 120.0° |
| O5 | C5 | C4 | C3 | 57.3° | 57.6° |
| O5 | C5 | C4 | O09 | 176.4° | 177.5° |
| O5 | C5 | C4 | H3 | 62.7° | 62.3° |
| O5 | C5 | C6 | H5 | 49.4° | 175.0° |
| O5 | C5 | C6 | H6 | 168.8° | 54.9° |
| C5 | O5 | C1 | H13 | 56.4° | 58.8° |
| C1 | C2 | O2 | C3 | 119.9° | 119.7° |
| C1 | C2 | O2 | H1 | 119.6° | 120.2° |
| C1 | C2 | C3 | H1 | 117.6° | 120.0° |
| C1 | C2 | C3 | C4 | 55.7° | 57.0° |
| C1 | C2 | C3 | O08 | 176.1° | 176.8° |
| C1 | C2 | C3 | H2 | 63.4° | 63.0° |
| C1 | C2 | O2 | H14 | 138.3° | 60.4° |
| C5 | C4 | C3 | C2 | 56.3° | 57.0° |
| C5 | C4 | C3 | O09 | 119.2° | 119.9° |
| C5 | C4 | C3 | H3 | 120.0° | 119.9° |
| C5 | C4 | O09 | H3 | 120.2° | 120.2° |
| C5 | C4 | C3 | O08 | 177.7° | 176.8° |
| C5 | C4 | O09 | P4 | 116.6° | 120.3° |
| C5 | C4 | C3 | H2 | 62.8° | 62.9° |
| C4 | C5 | C6 | H5 | 71.2° | 55.0° |
| C4 | C5 | C6 | H6 | 48.1° | 65.0° |
| O2 | C2 | C3 | H1 | 121.2° | 120.2° |
| O2 | C2 | C3 | C4 | 176.9° | 176.9° |
| O2 | C2 | C3 | O08 | 62.6° | 63.3° |
| O2 | C2 | C3 | H2 | 57.8° | 56.9° |
| O2 | C2 | C1 | H13 | 59.9° | 57.5° |
| C2 | C3 | C4 | O08 | 121.4° | 119.9° |
| C2 | C3 | C4 | H2 | 119.1° | 119.9° |
| C2 | C3 | C4 | O09 | 175.5° | 176.9° |
| C2 | C3 | O08 | H2 | 119.8° | 120.2° |
| C2 | C3 | O08 | P3 | 108.3° | 120.0° |
| C2 | C3 | C4 | H3 | 63.7° | 62.9° |
| C3 | C2 | C1 | H13 | 62.0° | 62.4° |
| C3 | C2 | O2 | H14 | 18.4° | 180.0° |
| C3 | C4 | O09 | H3 | 120.2° | 120.2° |
| C4 | C3 | O08 | H2 | 118.8° | 120.3° |
| C3 | C4 | O09 | P4 | 123.8° | 120.0° |
| C4 | C3 | O08 | P3 | 130.3° | 120.5° |
| C4 | C3 | C2 | H1 | 61.9° | 63.0° |
| C3 | C4 | C5 | H4 | 61.9° | 62.4° |
| O09 | C4 | C3 | O08 | 63.1° | 63.3° |
| C4 | O09 | P4 | O10 | 107.6° | 55.0° |
| C4 | O09 | P4 | O11 | 12.2° | 65.0° |
| C4 | O09 | P4 | O12 | 131.8° | 175.0° |
| O09 | C4 | C3 | H2 | 56.4° | 57.0° |
| O09 | C4 | C5 | H4 | 57.1° | 57.5° |
| C3 | O08 | P3 | O06 | 59.9° | 55.0° |
| C3 | O08 | P3 | O07 | 59.2° | 175.0° |
| C3 | O08 | P3 | O05 | 179.3° | 65.0° |
| O08 | C3 | C2 | H1 | 58.5° | 56.9° |
| O08 | C3 | C4 | H3 | 57.7° | 56.9° |
| O09 | P4 | O10 | O11 | 113.7° | 120.0° |
| O09 | P4 | O10 | O12 | 116.0° | 120.0° |
| O09 | P4 | O11 | O12 | 114.4° | 119.9° |
| P4 | O09 | C4 | H3 | 3.6° | 0.1° |
| O09 | P4 | O11 | H9 | 115.5° | 60.0° |
| O09 | P4 | O12 | H10 | 116.5° | 180.0° |
| O10 | P4 | O11 | O12 | 130.2° | 120.0° |
| O10 | P4 | O11 | H9 | 0.0° | 180.0° |
| O10 | P4 | O12 | H10 | 0.0° | 60.0° |
| O11 | P4 | O12 | H10 | 130.2° | 60.0° |
| O12 | P4 | O11 | H9 | 130.2° | 60.0° |
| O08 | P3 | O06 | O07 | 115.0° | 120.0° |
| O08 | P3 | O06 | O05 | 114.4° | 120.0° |
| O08 | P3 | O07 | O05 | 117.3° | 119.9° |
| P3 | O08 | C3 | H2 | 11.5° | 0.2° |
| O08 | P3 | O05 | H11 | 111.8° | 60.0° |
| O08 | P3 | O07 | H12 | 111.9° | 180.0° |
| O06 | P3 | O07 | O05 | 130.8° | 120.1° |
| O06 | P3 | O05 | H11 | 0.0° | 180.0° |
| O06 | P3 | O07 | H12 | 0.0° | 60.0° |
| O07 | P3 | O05 | H11 | 130.5° | 59.9° |
| O05 | P3 | O07 | H12 | 130.8° | 60.0° |
| H1 | C2 | C3 | H2 | 179.0° | 177.1° |
| H1 | C2 | C1 | H13 | 179.6° | 177.7° |
| H1 | C2 | O2 | H14 | 102.0° | 59.8° |
| H2 | C3 | C4 | H3 | 177.2° | 177.2° |
| H3 | C4 | C5 | H4 | 178.0° | 177.7° |
| H4 | C5 | C6 | H5 | 168.2° | 65.0° |
| H4 | C5 | C6 | H6 | 72.5° | 174.9° |
| H5 | C6 | O6 | H15 | 59.6° | 60.0° |
| H6 | C6 | O6 | H15 | 59.7° | 60.0° |
