A1I4D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | P1 | doub | 1.48Å | 1.54Å | |
| P1 | O2 | sing | 1.61Å | 1.55Å | |
| P1 | O3 | sing | 1.61Å | 1.64Å | |
| P1 | O4 | sing | 1.61Å | 1.67Å | |
| O6 | P2 | doub | 1.48Å | 1.47Å | |
| O4 | P2 | sing | 1.61Å | 1.61Å | |
| P2 | O5 | sing | 1.61Å | 1.48Å | |
| P2 | O7 | sing | 1.61Å | 1.61Å | |
| O7 | P3 | sing | 1.61Å | 1.59Å | |
| O12 | P4 | doub | 1.48Å | 1.46Å | |
| O8 | P3 | doub | 1.48Å | 1.46Å | |
| P3 | O9 | sing | 1.61Å | 1.47Å | |
| P3 | O10 | sing | 1.61Å | 1.62Å | |
| P4 | O10 | sing | 1.61Å | 1.60Å | |
| P4 | O11 | sing | 1.61Å | 1.48Å | |
| P4 | O13 | sing | 1.61Å | 1.59Å | |
| O14 | P5 | doub | 1.48Å | 1.48Å | |
| O13 | P5 | sing | 1.61Å | 1.63Å | |
| P5 | O15 | sing | 1.61Å | 1.47Å | |
| P5 | O16 | sing | 1.61Å | 1.59Å | |
| O16 | P6 | sing | 1.61Å | 1.62Å | |
| O18 | P6 | doub | 1.48Å | 1.48Å | |
| P6 | O17 | sing | 1.61Å | 1.47Å | |
| P6 | O19 | sing | 1.61Å | 1.62Å | |
| O19 | P7 | sing | 1.61Å | 1.62Å | |
| P7 | O21 | doub | 1.48Å | 1.51Å | |
| P7 | O20 | sing | 1.61Å | 1.47Å | |
| P7 | O22 | sing | 1.61Å | 1.50Å | |
| O2 | H1 | sing | 0.97Å | 0.95Å | |
| O3 | H2 | sing | 0.97Å | 0.95Å | |
| O5 | H3 | sing | 0.97Å | 0.95Å | |
| O9 | H4 | sing | 0.97Å | 0.95Å | |
| O11 | H5 | sing | 0.97Å | 0.95Å | |
| O15 | H6 | sing | 0.97Å | 0.95Å | |
| O17 | H7 | sing | 0.97Å | 0.95Å | |
| O20 | H8 | sing | 0.97Å | 0.95Å | |
| O22 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 115.0° | 109.5° |
| O1 | P1 | O3 | 102.3° | 109.5° |
| O1 | P1 | O4 | 107.7° | 109.4° |
| O2 | P1 | O3 | 116.6° | 109.5° |
| O2 | P1 | O4 | 99.4° | 109.5° |
| P1 | O2 | H1 | 109.5° | 114.0° |
| O3 | P1 | O4 | 116.2° | 109.5° |
| P1 | O3 | H2 | 109.5° | 114.0° |
| P1 | O4 | P2 | 139.4° | 134.0° |
| O6 | P2 | O4 | 110.9° | 109.5° |
| O6 | P2 | O5 | 121.9° | 109.5° |
| O6 | P2 | O7 | 106.7° | 109.4° |
| O4 | P2 | O5 | 107.4° | 109.4° |
| O4 | P2 | O7 | 98.5° | 109.5° |
| O5 | P2 | O7 | 108.9° | 109.5° |
| P2 | O5 | H3 | 109.5° | 114.0° |
| P2 | O7 | P3 | 129.1° | 134.0° |
| O7 | P3 | O8 | 107.9° | 109.4° |
| O7 | P3 | O9 | 115.1° | 109.5° |
| O7 | P3 | O10 | 99.2° | 109.4° |
| O12 | P4 | O10 | 115.5° | 109.5° |
| O12 | P4 | O11 | 119.2° | 109.5° |
| O12 | P4 | O13 | 115.6° | 109.5° |
| O8 | P3 | O9 | 118.5° | 109.5° |
| O8 | P3 | O10 | 108.1° | 109.4° |
| O9 | P3 | O10 | 106.1° | 109.5° |
| P3 | O9 | H4 | 109.5° | 114.0° |
| P3 | O10 | P4 | 131.4° | 134.0° |
| O10 | P4 | O11 | 100.1° | 109.5° |
| O10 | P4 | O13 | 94.5° | 109.5° |
| O11 | P4 | O13 | 108.2° | 109.5° |
| P4 | O11 | H5 | 109.5° | 114.0° |
| P4 | O13 | P5 | 125.2° | 134.0° |
| O14 | P5 | O13 | 109.4° | 109.5° |
| O14 | P5 | O15 | 116.3° | 109.5° |
| O14 | P5 | O16 | 108.5° | 109.4° |
| O13 | P5 | O15 | 109.2° | 109.5° |
| O13 | P5 | O16 | 99.8° | 109.4° |
| O15 | P5 | O16 | 112.3° | 109.5° |
| P5 | O15 | H6 | 109.5° | 114.1° |
| P5 | O16 | P6 | 130.4° | 134.0° |
| O16 | P6 | O18 | 105.4° | 109.5° |
| O16 | P6 | O17 | 108.3° | 109.5° |
| O16 | P6 | O19 | 97.3° | 109.5° |
| O18 | P6 | O17 | 122.4° | 109.4° |
| O18 | P6 | O19 | 108.7° | 109.4° |
| O17 | P6 | O19 | 111.6° | 109.5° |
| P6 | O17 | H7 | 109.5° | 114.0° |
| P6 | O19 | P7 | 129.7° | 134.0° |
| O19 | P7 | O21 | 102.2° | 109.5° |
| O19 | P7 | O20 | 102.4° | 109.5° |
| O19 | P7 | O22 | 107.1° | 109.4° |
| O21 | P7 | O20 | 111.4° | 109.5° |
| O21 | P7 | O22 | 116.8° | 109.5° |
| O20 | P7 | O22 | 114.8° | 109.4° |
| P7 | O20 | H8 | 109.5° | 114.0° |
| P7 | O22 | H9 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O3 | 119.7° | 120.0° |
| O1 | P1 | O2 | O4 | 114.7° | 120.0° |
| O1 | P1 | O3 | O4 | 117.0° | 120.0° |
| O1 | P1 | O4 | P2 | 77.7° | 45.0° |
| O1 | P1 | O2 | H1 | 0.0° | 180.0° |
| O1 | P1 | O3 | H2 | 0.0° | 60.0° |
| O2 | P1 | O3 | O4 | 116.7° | 120.0° |
| O2 | P1 | O4 | P2 | 42.5° | 75.0° |
| O2 | P1 | O3 | H2 | 126.3° | 60.0° |
| O3 | P1 | O4 | P2 | 168.3° | 165.0° |
| O3 | P1 | O2 | H1 | 119.7° | 60.0° |
| P1 | O4 | P2 | O6 | 7.1° | 45.0° |
| P1 | O4 | P2 | O5 | 142.5° | 75.0° |
| P1 | O4 | P2 | O7 | 104.5° | 165.0° |
| O4 | P1 | O2 | H1 | 114.7° | 60.0° |
| O4 | P1 | O3 | H2 | 117.0° | 180.0° |
| O6 | P2 | O4 | O5 | 135.4° | 120.0° |
| O6 | P2 | O4 | O7 | 111.6° | 120.0° |
| O6 | P2 | O5 | O7 | 124.8° | 120.0° |
| O6 | P2 | O7 | P3 | 165.1° | 40.0° |
| O6 | P2 | O5 | H3 | 0.0° | 180.0° |
| O4 | P2 | O5 | O7 | 105.8° | 120.0° |
| O4 | P2 | O7 | P3 | 79.9° | 160.0° |
| O4 | P2 | O5 | H3 | 129.4° | 60.1° |
| O5 | P2 | O7 | P3 | 31.9° | 80.0° |
| P2 | O7 | P3 | O8 | 41.8° | 40.0° |
| P2 | O7 | P3 | O9 | 93.0° | 80.0° |
| P2 | O7 | P3 | O10 | 154.3° | 160.0° |
| O7 | P2 | O5 | H3 | 124.8° | 60.0° |
| O7 | P3 | O8 | O9 | 133.0° | 120.0° |
| O7 | P3 | O8 | O10 | 106.4° | 119.9° |
| O7 | P3 | O9 | O10 | 108.6° | 120.0° |
| O7 | P3 | O10 | P4 | 75.8° | 165.0° |
| O7 | P3 | O9 | H4 | 129.8° | 60.0° |
| O12 | P4 | O10 | P3 | 36.5° | 44.9° |
| O12 | P4 | O10 | O11 | 129.4° | 120.0° |
| O12 | P4 | O10 | O13 | 121.3° | 120.0° |
| O12 | P4 | O11 | O13 | 134.8° | 120.0° |
| O12 | P4 | O13 | P5 | 54.5° | 40.0° |
| O12 | P4 | O11 | H5 | 0.0° | 180.0° |
| O8 | P3 | O9 | O10 | 121.6° | 120.0° |
| O8 | P3 | O10 | P4 | 36.6° | 45.1° |
| O8 | P3 | O9 | H4 | 0.0° | 180.0° |
| O9 | P3 | O10 | P4 | 164.6° | 75.0° |
| P3 | O10 | P4 | O11 | 165.8° | 75.1° |
| P3 | O10 | P4 | O13 | 84.8° | 164.9° |
| O10 | P3 | O9 | H4 | 121.6° | 60.0° |
| O10 | P4 | O11 | O13 | 98.2° | 120.0° |
| O10 | P4 | O13 | P5 | 175.7° | 160.0° |
| O10 | P4 | O11 | H5 | 126.9° | 59.9° |
| O11 | P4 | O13 | P5 | 82.1° | 80.0° |
| P4 | O13 | P5 | O14 | 61.4° | 40.0° |
| P4 | O13 | P5 | O15 | 66.9° | 80.0° |
| P4 | O13 | P5 | O16 | 175.2° | 160.0° |
| O13 | P4 | O11 | H5 | 134.8° | 60.1° |
| O14 | P5 | O13 | O15 | 128.3° | 120.1° |
| O14 | P5 | O13 | O16 | 113.7° | 119.9° |
| O14 | P5 | O15 | O16 | 125.8° | 120.0° |
| O14 | P5 | O16 | P6 | 172.9° | 45.0° |
| O14 | P5 | O15 | H6 | 0.0° | 180.0° |
| O13 | P5 | O15 | O16 | 109.8° | 120.0° |
| O13 | P5 | O16 | P6 | 58.5° | 165.0° |
| O13 | P5 | O15 | H6 | 124.4° | 59.9° |
| O15 | P5 | O16 | P6 | 57.1° | 75.0° |
| P5 | O16 | P6 | O18 | 111.4° | 45.0° |
| P5 | O16 | P6 | O17 | 21.1° | 75.0° |
| P5 | O16 | P6 | O19 | 136.8° | 164.9° |
| O16 | P5 | O15 | H6 | 125.8° | 60.0° |
| O16 | P6 | O18 | O17 | 124.0° | 120.0° |
| O16 | P6 | O18 | O19 | 103.5° | 120.0° |
| O16 | P6 | O17 | O19 | 106.0° | 120.0° |
| O16 | P6 | O19 | P7 | 158.5° | 160.0° |
| O16 | P6 | O17 | H7 | 122.7° | 60.0° |
| O18 | P6 | O17 | O19 | 131.3° | 120.0° |
| O18 | P6 | O19 | P7 | 92.5° | 40.0° |
| O18 | P6 | O17 | H7 | 0.0° | 180.0° |
| O17 | P6 | O19 | P7 | 45.5° | 79.9° |
| P6 | O19 | P7 | O21 | 143.9° | 39.9° |
| P6 | O19 | P7 | O20 | 100.6° | 160.0° |
| P6 | O19 | P7 | O22 | 20.5° | 80.1° |
| O19 | P6 | O17 | H7 | 131.3° | 60.0° |
| O19 | P7 | O21 | O20 | 108.7° | 120.0° |
| O19 | P7 | O21 | O22 | 116.6° | 120.0° |
| O19 | P7 | O20 | O22 | 115.7° | 119.9° |
| O19 | P7 | O20 | H8 | 108.6° | 180.0° |
| O19 | P7 | O22 | H9 | 113.9° | 60.0° |
| O21 | P7 | O20 | O22 | 135.7° | 120.0° |
| O21 | P7 | O20 | H8 | 0.0° | 59.9° |
| O21 | P7 | O22 | H9 | 0.0° | 180.0° |
| O20 | P7 | O22 | H9 | 133.2° | 60.0° |
| O22 | P7 | O20 | H8 | 135.7° | 60.1° |
