UG3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | P18 | doub | 1.48Å | 1.52Å | |
| O19 | P18 | sing | 1.61Å | 1.52Å | |
| P18 | O21 | sing | 1.61Å | 1.52Å | |
| P18 | O17 | sing | 1.61Å | 1.74Å | |
| O17 | P14 | sing | 1.61Å | 1.63Å | |
| P14 | O15 | doub | 1.48Å | 1.50Å | |
| P14 | O16 | sing | 1.61Å | 1.51Å | |
| P14 | O13 | sing | 1.61Å | 1.68Å | |
| O12 | P10 | doub | 1.48Å | 1.50Å | |
| O13 | P10 | sing | 1.61Å | 1.66Å | |
| P10 | O09 | sing | 1.61Å | 1.67Å | |
| P10 | O11 | sing | 1.61Å | 1.49Å | |
| O09 | P06 | sing | 1.61Å | 1.68Å | |
| O07 | P06 | doub | 1.48Å | 1.51Å | |
| P06 | O08 | sing | 1.61Å | 1.50Å | |
| P06 | O05 | sing | 1.61Å | 1.64Å | |
| O01 | P02 | doub | 1.48Å | 1.52Å | |
| O05 | P02 | sing | 1.61Å | 1.73Å | |
| O03 | P02 | sing | 1.61Å | 1.52Å | |
| P02 | O04 | sing | 1.61Å | 1.52Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å | |
| O08 | H3 | sing | 0.97Å | 0.95Å | |
| O11 | H4 | sing | 0.97Å | 0.95Å | |
| O16 | H5 | sing | 0.97Å | 0.95Å | |
| O19 | H6 | sing | 0.97Å | 0.95Å | |
| O21 | H7 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | P18 | O19 | 110.7° | 109.5° |
| O20 | P18 | O21 | 109.5° | 109.5° |
| O20 | P18 | O17 | 108.8° | 109.5° |
| O19 | P18 | O21 | 109.4° | 109.5° |
| O19 | P18 | O17 | 110.0° | 109.5° |
| P18 | O19 | H6 | 109.5° | 114.0° |
| O21 | P18 | O17 | 108.4° | 109.5° |
| P18 | O21 | H7 | 109.5° | 114.0° |
| P18 | O17 | P14 | 142.6° | 134.0° |
| O17 | P14 | O15 | 104.3° | 109.5° |
| O17 | P14 | O16 | 103.7° | 109.5° |
| O17 | P14 | O13 | 119.0° | 109.5° |
| O15 | P14 | O16 | 121.5° | 109.4° |
| O15 | P14 | O13 | 105.1° | 109.4° |
| O16 | P14 | O13 | 104.4° | 109.5° |
| P14 | O16 | H5 | 109.5° | 114.0° |
| P14 | O13 | P10 | 134.0° | 134.1° |
| O12 | P10 | O13 | 103.8° | 109.5° |
| O12 | P10 | O09 | 103.5° | 109.5° |
| O12 | P10 | O11 | 122.2° | 109.5° |
| O13 | P10 | O09 | 119.5° | 109.5° |
| O13 | P10 | O11 | 103.8° | 109.5° |
| O09 | P10 | O11 | 105.2° | 109.4° |
| P10 | O09 | P06 | 135.5° | 134.0° |
| P10 | O11 | H4 | 109.5° | 113.9° |
| O09 | P06 | O07 | 104.9° | 109.5° |
| O09 | P06 | O08 | 104.7° | 109.5° |
| O09 | P06 | O05 | 118.6° | 109.5° |
| O07 | P06 | O08 | 121.1° | 109.4° |
| O07 | P06 | O05 | 104.2° | 109.5° |
| O08 | P06 | O05 | 104.3° | 109.5° |
| P06 | O08 | H3 | 109.5° | 114.0° |
| P06 | O05 | P02 | 143.4° | 134.1° |
| O01 | P02 | O05 | 108.5° | 109.4° |
| O01 | P02 | O03 | 109.0° | 109.5° |
| O01 | P02 | O04 | 109.8° | 109.4° |
| O05 | P02 | O03 | 109.0° | 109.5° |
| O05 | P02 | O04 | 109.5° | 109.5° |
| O03 | P02 | O04 | 111.0° | 109.5° |
| P02 | O03 | H1 | 109.5° | 114.0° |
| P02 | O04 | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | P18 | O19 | O21 | 120.8° | 120.0° |
| O20 | P18 | O19 | O17 | 120.2° | 120.0° |
| O20 | P18 | O21 | O17 | 118.5° | 120.0° |
| O20 | P18 | O17 | P14 | 124.2° | 45.0° |
| O20 | P18 | O19 | H6 | 0.0° | 180.0° |
| O20 | P18 | O21 | H7 | 0.0° | 60.0° |
| O19 | P18 | O21 | O17 | 120.0° | 120.0° |
| O19 | P18 | O17 | P14 | 114.4° | 75.0° |
| O19 | P18 | O21 | H7 | 121.5° | 60.0° |
| O21 | P18 | O17 | P14 | 5.2° | 165.0° |
| O21 | P18 | O19 | H6 | 120.8° | 60.0° |
| P18 | O17 | P14 | O15 | 14.4° | 45.0° |
| P18 | O17 | P14 | O16 | 142.5° | 75.0° |
| P18 | O17 | P14 | O13 | 102.2° | 165.0° |
| O17 | P18 | O19 | H6 | 120.3° | 60.0° |
| O17 | P18 | O21 | H7 | 118.5° | 180.0° |
| O17 | P14 | O15 | O16 | 116.3° | 120.0° |
| O17 | P14 | O15 | O13 | 125.9° | 120.0° |
| O17 | P14 | O16 | O13 | 125.3° | 120.0° |
| O17 | P14 | O13 | P10 | 107.0° | 160.0° |
| O17 | P14 | O16 | H5 | 116.5° | 60.0° |
| O15 | P14 | O16 | O13 | 118.2° | 119.9° |
| O15 | P14 | O13 | P10 | 9.2° | 40.0° |
| O15 | P14 | O16 | H5 | 0.0° | 180.0° |
| O16 | P14 | O13 | P10 | 138.0° | 79.9° |
| P14 | O13 | P10 | O12 | 65.7° | 40.0° |
| P14 | O13 | P10 | O09 | 48.9° | 160.0° |
| P14 | O13 | P10 | O11 | 165.6° | 80.0° |
| O13 | P14 | O16 | H5 | 118.2° | 60.0° |
| O12 | P10 | O13 | O09 | 114.6° | 120.0° |
| O12 | P10 | O13 | O11 | 128.7° | 120.0° |
| O12 | P10 | O09 | O11 | 129.3° | 120.0° |
| O12 | P10 | O09 | P06 | 127.9° | 45.0° |
| O12 | P10 | O11 | H4 | 0.0° | 180.0° |
| O13 | P10 | O09 | O11 | 116.0° | 120.0° |
| O13 | P10 | O09 | P06 | 117.3° | 165.0° |
| O13 | P10 | O11 | H4 | 116.5° | 60.0° |
| P10 | O09 | P06 | O07 | 88.8° | 45.0° |
| P10 | O09 | P06 | O08 | 142.7° | 75.0° |
| P10 | O09 | P06 | O05 | 26.9° | 165.0° |
| O09 | P10 | O11 | H4 | 117.2° | 60.1° |
| O11 | P10 | O09 | P06 | 1.3° | 75.0° |
| O09 | P06 | O07 | O08 | 117.9° | 120.0° |
| O09 | P06 | O07 | O05 | 125.4° | 120.1° |
| O09 | P06 | O08 | O05 | 125.3° | 120.0° |
| O09 | P06 | O05 | P02 | 75.8° | 160.0° |
| O09 | P06 | O08 | H3 | 118.0° | 60.0° |
| O07 | P06 | O08 | O05 | 116.7° | 120.0° |
| O07 | P06 | O05 | P02 | 40.3° | 39.9° |
| O07 | P06 | O08 | H3 | 0.0° | 180.0° |
| O08 | P06 | O05 | P02 | 168.2° | 80.0° |
| P06 | O05 | P02 | O01 | 1.2° | 40.0° |
| P06 | O05 | P02 | O03 | 119.8° | 160.0° |
| P06 | O05 | P02 | O04 | 118.7° | 80.0° |
| O05 | P06 | O08 | H3 | 116.7° | 60.0° |
| O01 | P02 | O05 | O03 | 118.6° | 120.0° |
| O01 | P02 | O05 | O04 | 119.9° | 120.0° |
| O01 | P02 | O03 | O04 | 121.0° | 120.0° |
| O01 | P02 | O03 | H1 | 0.0° | 60.1° |
| O01 | P02 | O04 | H2 | 0.0° | 180.0° |
| O05 | P02 | O03 | O04 | 120.7° | 120.1° |
| O05 | P02 | O03 | H1 | 118.3° | 180.0° |
| O05 | P02 | O04 | H2 | 119.1° | 60.0° |
| O03 | P02 | O04 | H2 | 120.6° | 60.0° |
| O04 | P02 | O03 | H1 | 121.0° | 59.9° |
