5AI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | P1 | doub | 1.48Å | 1.51Å | |
| O03 | P1 | sing | 1.61Å | 1.51Å | |
| O04 | P1 | sing | 1.61Å | 1.52Å | |
| P1 | O01 | sing | 1.61Å | 1.62Å | |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| O01 | C1 | sing | 1.43Å | 1.36Å | |
| 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 | 1.53Å | |
| 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 | 1.52Å | |
| C4 | O09 | sing | 1.43Å | 1.44Å | |
| O11 | P4 | doub | 1.48Å | 1.51Å | |
| C3 | O08 | sing | 1.43Å | 1.44Å | |
| O09 | P4 | sing | 1.61Å | 1.62Å | |
| P4 | O10 | sing | 1.61Å | 1.52Å | |
| P4 | O12 | sing | 1.61Å | 1.52Å | |
| O08 | P3 | sing | 1.61Å | 1.63Å | |
| O06 | P3 | doub | 1.48Å | 1.51Å | |
| O07 | P3 | sing | 1.61Å | 1.51Å | |
| P3 | O05 | sing | 1.61Å | 1.52Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å | |
| O12 | H3 | sing | 0.97Å | 0.95Å | |
| O05 | H4 | sing | 0.97Å | 0.95Å | |
| O10 | H5 | sing | 0.97Å | 0.95Å | |
| O07 | H6 | sing | 0.97Å | 0.95Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| C6 | 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) |
| O02 | P1 | O03 | 112.7° | 109.5° |
| O02 | P1 | O04 | 112.9° | 109.4° |
| O02 | P1 | O01 | 105.5° | 109.4° |
| O03 | P1 | O04 | 113.5° | 109.5° |
| O03 | P1 | O01 | 106.1° | 109.5° |
| P1 | O03 | H1 | 109.5° | 114.0° |
| O04 | P1 | O01 | 105.3° | 109.5° |
| P1 | O04 | H2 | 109.5° | 114.0° |
| P1 | O01 | C1 | 132.0° | 123.1° |
| O6 | C6 | C5 | 111.7° | 109.4° |
| O6 | C6 | H12 | 108.9° | 109.5° |
| O6 | C6 | H13 | 108.9° | 109.4° |
| C6 | O6 | H15 | 109.5° | 114.0° |
| O01 | C1 | O5 | 108.1° | 109.5° |
| O01 | C1 | C2 | 120.3° | 109.5° |
| O01 | C1 | H7 | 105.9° | 109.4° |
| C6 | C5 | O5 | 108.0° | 109.5° |
| C6 | C5 | C4 | 113.6° | 109.5° |
| C6 | C5 | H11 | 108.9° | 109.5° |
| C5 | C6 | H12 | 108.9° | 109.5° |
| C5 | C6 | H13 | 108.9° | 109.5° |
| C1 | O5 | C5 | 112.9° | 114.1° |
| O5 | C1 | C2 | 112.0° | 109.4° |
| O5 | C1 | H7 | 105.1° | 109.5° |
| O5 | C5 | C4 | 107.7° | 109.4° |
| O5 | C5 | H11 | 109.8° | 109.5° |
| C1 | C2 | O2 | 109.6° | 109.5° |
| C1 | C2 | C3 | 110.6° | 109.2° |
| C2 | C1 | H7 | 104.1° | 109.5° |
| C1 | C2 | H8 | 108.3° | 109.5° |
| C5 | C4 | C3 | 108.4° | 109.2° |
| C5 | C4 | O09 | 109.9° | 109.5° |
| C5 | C4 | H10 | 108.8° | 109.6° |
| C4 | C5 | H11 | 108.7° | 109.5° |
| O2 | C2 | C3 | 110.0° | 109.5° |
| O2 | C2 | H8 | 109.8° | 109.5° |
| C2 | O2 | H14 | 109.5° | 114.0° |
| C2 | C3 | C4 | 108.5° | 109.0° |
| C2 | C3 | O08 | 110.5° | 109.6° |
| C3 | C2 | H8 | 108.4° | 109.6° |
| C2 | C3 | H9 | 108.8° | 109.5° |
| C3 | C4 | O09 | 111.2° | 109.5° |
| C4 | C3 | O08 | 110.2° | 109.6° |
| C4 | C3 | H9 | 108.9° | 109.6° |
| C3 | C4 | H10 | 108.8° | 109.5° |
| C4 | O09 | P4 | 124.5° | 123.0° |
| O09 | C4 | H10 | 109.8° | 109.5° |
| O11 | P4 | O09 | 106.6° | 109.5° |
| O11 | P4 | O10 | 112.8° | 109.5° |
| O11 | P4 | O12 | 113.9° | 109.4° |
| C3 | O08 | P3 | 131.8° | 123.0° |
| O08 | C3 | H9 | 109.9° | 109.5° |
| O09 | P4 | O10 | 103.4° | 109.5° |
| O09 | P4 | O12 | 106.5° | 109.5° |
| O10 | P4 | O12 | 112.8° | 109.5° |
| P4 | O10 | H5 | 109.5° | 114.0° |
| P4 | O12 | H3 | 109.5° | 114.0° |
| O08 | P3 | O06 | 103.0° | 109.5° |
| O08 | P3 | O07 | 106.0° | 109.5° |
| O08 | P3 | O05 | 108.2° | 109.5° |
| O06 | P3 | O07 | 112.6° | 109.5° |
| O06 | P3 | O05 | 113.1° | 109.5° |
| O07 | P3 | O05 | 113.1° | 109.5° |
| P3 | O07 | H6 | 109.5° | 114.0° |
| P3 | O05 | H4 | 109.5° | 114.0° |
| H12 | C6 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | P1 | O03 | O04 | 130.0° | 120.0° |
| O02 | P1 | O03 | O01 | 114.9° | 120.0° |
| O02 | P1 | O04 | O01 | 114.6° | 119.9° |
| O02 | P1 | O01 | C1 | 45.5° | 55.0° |
| O02 | P1 | O03 | H1 | 0.0° | 60.0° |
| O02 | P1 | O04 | H2 | 0.0° | 180.0° |
| O03 | P1 | O04 | O01 | 115.6° | 120.0° |
| O03 | P1 | O01 | C1 | 165.2° | 175.0° |
| O03 | P1 | O04 | H2 | 129.9° | 60.0° |
| O04 | P1 | O01 | C1 | 74.2° | 65.0° |
| O04 | P1 | O03 | H1 | 130.0° | 60.0° |
| P1 | O01 | C1 | O5 | 72.0° | 90.1° |
| P1 | O01 | C1 | C2 | 157.7° | 150.0° |
| O01 | P1 | O03 | H1 | 114.9° | 180.0° |
| O01 | P1 | O04 | H2 | 114.6° | 60.1° |
| P1 | O01 | C1 | H7 | 40.3° | 30.0° |
| O6 | C6 | C5 | H12 | 120.3° | 120.0° |
| O6 | C6 | C5 | H13 | 120.3° | 119.9° |
| O6 | C6 | C5 | O5 | 62.9° | 65.1° |
| O6 | C6 | C5 | C4 | 177.7° | 175.0° |
| O6 | C6 | C5 | H11 | 56.3° | 55.0° |
| O6 | C6 | H12 | H13 | 119.0° | 119.9° |
| O01 | C1 | O5 | C2 | 134.8° | 120.0° |
| O01 | C1 | O5 | H7 | 112.8° | 120.0° |
| O01 | C1 | O5 | C5 | 77.9° | 58.8° |
| O01 | C1 | C2 | H7 | 118.3° | 120.0° |
| O01 | C1 | C2 | O2 | 44.3° | 57.5° |
| O01 | C1 | C2 | C3 | 77.3° | 62.4° |
| O01 | C1 | C2 | H8 | 164.0° | 177.6° |
| C6 | C5 | O5 | C1 | 173.8° | 178.9° |
| C6 | C5 | O5 | C4 | 123.2° | 120.0° |
| C6 | C5 | O5 | H11 | 118.6° | 120.1° |
| C6 | C5 | C4 | H11 | 121.4° | 120.1° |
| C6 | C5 | C4 | C3 | 176.0° | 177.6° |
| C6 | C5 | C4 | O09 | 54.3° | 62.5° |
| C6 | C5 | C4 | H10 | 66.0° | 57.6° |
| C5 | C6 | H12 | H13 | 119.0° | 120.1° |
| C5 | C6 | O6 | H15 | 180.0° | 180.0° |
| O5 | C1 | C2 | H7 | 113.0° | 120.0° |
| C1 | O5 | C5 | C4 | 63.0° | 61.2° |
| O5 | C1 | C2 | O2 | 172.9° | 177.5° |
| O5 | C1 | C2 | C3 | 51.4° | 57.6° |
| O5 | C1 | C2 | H8 | 67.3° | 62.4° |
| C1 | O5 | C5 | H11 | 55.2° | 58.8° |
| C5 | O5 | C1 | C2 | 56.9° | 61.2° |
| O5 | C5 | C4 | H11 | 118.9° | 120.0° |
| O5 | C5 | C4 | C3 | 64.4° | 57.6° |
| O5 | C5 | C4 | O09 | 174.0° | 177.5° |
| C5 | O5 | C1 | H7 | 169.3° | 178.8° |
| O5 | C5 | C4 | H10 | 53.7° | 62.4° |
| O5 | C5 | C6 | H12 | 57.5° | 174.9° |
| O5 | C5 | C6 | H13 | 176.8° | 54.8° |
| C1 | C2 | O2 | C3 | 121.9° | 119.7° |
| C1 | C2 | O2 | H8 | 118.9° | 120.1° |
| C1 | C2 | C3 | H8 | 118.7° | 120.0° |
| C1 | C2 | C3 | C4 | 53.6° | 57.0° |
| C1 | C2 | C3 | O08 | 174.5° | 176.9° |
| C1 | C2 | C3 | H9 | 64.8° | 63.0° |
| C1 | C2 | O2 | H14 | 145.4° | 60.0° |
| C5 | C4 | C3 | C2 | 60.5° | 57.0° |
| C5 | C4 | C3 | O09 | 120.9° | 119.9° |
| C5 | C4 | C3 | H10 | 118.1° | 120.0° |
| C5 | C4 | O09 | H10 | 119.6° | 120.2° |
| C5 | C4 | C3 | O08 | 178.4° | 176.9° |
| C5 | C4 | O09 | P4 | 108.4° | 120.3° |
| C5 | C4 | C3 | H9 | 57.8° | 63.0° |
| C4 | C5 | C6 | H12 | 62.0° | 55.0° |
| C4 | C5 | C6 | H13 | 57.3° | 65.1° |
| O2 | C2 | C3 | H8 | 120.0° | 120.1° |
| O2 | C2 | C3 | C4 | 174.9° | 176.9° |
| O2 | C2 | C3 | O08 | 64.2° | 63.2° |
| O2 | C2 | C1 | H7 | 74.0° | 62.5° |
| O2 | C2 | C3 | H9 | 56.5° | 56.9° |
| C2 | C3 | C4 | O08 | 121.1° | 119.9° |
| C2 | C3 | C4 | H9 | 118.3° | 119.9° |
| C2 | C3 | C4 | O09 | 178.6° | 176.9° |
| C2 | C3 | O08 | H9 | 120.1° | 120.2° |
| C2 | C3 | O08 | P3 | 108.2° | 120.0° |
| C3 | C2 | C1 | H7 | 164.4° | 177.6° |
| C2 | C3 | C4 | H10 | 57.5° | 63.0° |
| C3 | C2 | O2 | H14 | 23.5° | 179.7° |
| C3 | C4 | O09 | H10 | 120.4° | 120.1° |
| C4 | C3 | O08 | H9 | 120.0° | 120.3° |
| C3 | C4 | O09 | P4 | 131.7° | 120.0° |
| C4 | C3 | O08 | P3 | 131.9° | 120.4° |
| C4 | C3 | C2 | H8 | 65.1° | 63.0° |
| C3 | C4 | C5 | H11 | 54.5° | 62.4° |
| C4 | O09 | P4 | O11 | 92.1° | 55.0° |
| O09 | C4 | C3 | O08 | 57.5° | 63.2° |
| C4 | O09 | P4 | O10 | 27.0° | 65.0° |
| C4 | O09 | P4 | O12 | 146.0° | 175.0° |
| O09 | C4 | C3 | H9 | 63.1° | 57.0° |
| O09 | C4 | C5 | H11 | 67.1° | 57.6° |
| O11 | P4 | O09 | O10 | 119.1° | 120.0° |
| O11 | P4 | O09 | O12 | 121.9° | 120.0° |
| O11 | P4 | O10 | O12 | 130.7° | 120.0° |
| O11 | P4 | O12 | H3 | 0.0° | 60.1° |
| O11 | P4 | O10 | H5 | 0.0° | 180.0° |
| C3 | O08 | P3 | O06 | 63.2° | 55.0° |
| C3 | O08 | P3 | O07 | 55.3° | 175.0° |
| C3 | O08 | P3 | O05 | 176.8° | 65.0° |
| O08 | C3 | C2 | H8 | 55.8° | 56.9° |
| O08 | C3 | C4 | H10 | 63.6° | 56.9° |
| O09 | P4 | O10 | O12 | 114.6° | 120.0° |
| O09 | P4 | O12 | H3 | 117.1° | 180.0° |
| O09 | P4 | O10 | H5 | 114.7° | 60.0° |
| P4 | O09 | C4 | H10 | 11.3° | 0.1° |
| O10 | P4 | O12 | H3 | 130.2° | 60.0° |
| O12 | P4 | O10 | H5 | 130.7° | 60.0° |
| O08 | P3 | O06 | O07 | 113.7° | 120.0° |
| O08 | P3 | O06 | O05 | 116.5° | 120.0° |
| O08 | P3 | O07 | O05 | 118.4° | 120.0° |
| O08 | P3 | O05 | H4 | 113.4° | 60.0° |
| O08 | P3 | O07 | H6 | 111.9° | 180.0° |
| P3 | O08 | C3 | H9 | 11.9° | 0.2° |
| O06 | P3 | O07 | O05 | 129.7° | 120.0° |
| O06 | P3 | O05 | H4 | 0.0° | 180.0° |
| O06 | P3 | O07 | H6 | 0.0° | 60.0° |
| O07 | P3 | O05 | H4 | 129.5° | 60.1° |
| O05 | P3 | O07 | H6 | 129.7° | 60.0° |
| H7 | C1 | C2 | H8 | 45.7° | 57.6° |
| H8 | C2 | C3 | H9 | 176.6° | 177.0° |
| H8 | C2 | O2 | H14 | 95.8° | 60.1° |
| H9 | C3 | C4 | H10 | 175.8° | 177.1° |
| H10 | C4 | C5 | H11 | 172.6° | 177.7° |
| H11 | C5 | C6 | H12 | 176.7° | 65.0° |
| H11 | C5 | C6 | H13 | 64.0° | 174.9° |
| H12 | C6 | O6 | H15 | 59.6° | 60.0° |
| H13 | C6 | O6 | H15 | 59.7° | 60.0° |
