75I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O24 | P4 | doub | 1.48Å | 1.52Å | |
| O34 | P4 | sing | 1.61Å | 1.51Å | |
| P4 | O14 | sing | 1.61Å | 1.51Å | |
| P4 | O4 | sing | 1.61Å | 1.62Å | |
| O5 | C5 | sing | 1.43Å | 1.42Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C06 | C6 | sing | 1.53Å | 1.53Å | |
| C06 | O06 | sing | 1.43Å | 1.42Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C6 | C1 | sing | 1.53Å | 1.52Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C2 | O2 | sing | 1.43Å | 1.43Å | |
| O1 | P1 | sing | 1.61Å | 1.63Å | |
| O11 | P1 | doub | 1.48Å | 1.51Å | |
| O31 | P1 | sing | 1.61Å | 1.52Å | |
| P1 | O21 | sing | 1.61Å | 1.52Å | |
| O2 | P2 | sing | 1.61Å | 1.62Å | |
| O22 | P2 | doub | 1.48Å | 1.52Å | |
| O12 | P2 | sing | 1.61Å | 1.51Å | |
| P2 | O32 | 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 | |
| O21 | H5 | sing | 0.97Å | 0.95Å | |
| O06 | H6 | sing | 0.97Å | 0.95Å | |
| O12 | H7 | sing | 0.97Å | 0.95Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| O32 | H10 | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| O5 | H14 | sing | 0.97Å | 0.95Å | |
| O31 | H15 | sing | 0.97Å | 0.95Å | |
| O14 | H16 | sing | 0.97Å | 0.95Å | |
| O34 | H17 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O24 | P4 | O34 | 112.7° | 109.5° |
| O24 | P4 | O14 | 112.6° | 109.5° |
| O24 | P4 | O4 | 102.4° | 109.5° |
| O34 | P4 | O14 | 113.9° | 109.5° |
| O34 | P4 | O4 | 109.7° | 109.5° |
| P4 | O34 | H17 | 109.5° | 114.0° |
| O14 | P4 | O4 | 104.5° | 109.5° |
| P4 | O14 | H16 | 109.5° | 114.0° |
| P4 | O4 | C4 | 126.9° | 123.0° |
| O5 | C5 | C4 | 108.3° | 109.5° |
| O5 | C5 | C6 | 109.6° | 109.5° |
| O5 | C5 | H4 | 110.0° | 109.5° |
| C5 | O5 | H14 | 109.5° | 114.0° |
| O4 | C4 | C5 | 109.5° | 109.5° |
| O4 | C4 | C3 | 108.6° | 109.4° |
| O4 | C4 | H3 | 109.5° | 109.5° |
| C4 | C5 | C6 | 112.0° | 109.5° |
| C5 | C4 | C3 | 112.3° | 109.5° |
| C5 | C4 | H3 | 108.4° | 109.5° |
| C4 | C5 | H4 | 108.5° | 109.5° |
| C5 | C6 | C06 | 112.2° | 109.5° |
| C5 | C6 | C1 | 104.4° | 109.5° |
| C6 | C5 | H4 | 108.4° | 109.5° |
| C5 | C6 | H12 | 109.3° | 109.5° |
| C6 | C06 | O06 | 111.1° | 109.4° |
| C06 | C6 | C1 | 112.0° | 109.5° |
| C6 | C06 | H8 | 109.1° | 109.5° |
| C6 | C06 | H9 | 109.1° | 109.5° |
| C06 | C6 | H12 | 109.3° | 109.5° |
| C06 | O06 | H6 | 109.5° | 114.0° |
| O06 | C06 | H8 | 109.1° | 109.4° |
| O06 | C06 | H9 | 109.1° | 109.5° |
| C4 | C3 | O3 | 109.6° | 109.5° |
| C4 | C3 | C2 | 107.7° | 109.4° |
| C4 | C3 | H2 | 109.1° | 109.5° |
| C3 | C4 | H3 | 108.5° | 109.5° |
| C6 | C1 | C2 | 110.1° | 109.5° |
| C6 | C1 | O1 | 108.6° | 109.5° |
| C6 | C1 | H11 | 109.1° | 109.4° |
| C1 | C6 | H12 | 109.5° | 109.4° |
| O3 | C3 | C2 | 111.1° | 109.5° |
| O3 | C3 | H2 | 110.3° | 109.5° |
| C3 | O3 | H13 | 109.5° | 114.0° |
| C3 | C2 | C1 | 110.2° | 109.5° |
| C3 | C2 | O2 | 107.9° | 109.5° |
| C3 | C2 | H1 | 109.9° | 109.5° |
| C2 | C3 | H2 | 109.0° | 109.5° |
| C2 | C1 | O1 | 109.7° | 109.5° |
| C1 | C2 | O2 | 107.7° | 109.5° |
| C1 | C2 | H1 | 109.9° | 109.4° |
| C2 | C1 | H11 | 109.1° | 109.5° |
| C1 | O1 | P1 | 127.3° | 123.0° |
| O1 | C1 | H11 | 110.1° | 109.4° |
| C2 | O2 | P2 | 125.2° | 123.0° |
| O2 | C2 | H1 | 111.1° | 109.5° |
| O1 | P1 | O11 | 103.3° | 109.5° |
| O1 | P1 | O31 | 105.1° | 109.5° |
| O1 | P1 | O21 | 109.0° | 109.5° |
| O11 | P1 | O31 | 113.3° | 109.5° |
| O11 | P1 | O21 | 112.8° | 109.4° |
| O31 | P1 | O21 | 112.6° | 109.5° |
| P1 | O31 | H15 | 109.5° | 114.0° |
| P1 | O21 | H5 | 109.5° | 113.9° |
| O2 | P2 | O22 | 101.6° | 109.5° |
| O2 | P2 | O12 | 108.9° | 109.5° |
| O2 | P2 | O32 | 104.0° | 109.5° |
| O22 | P2 | O12 | 113.6° | 109.5° |
| O22 | P2 | O32 | 114.3° | 109.5° |
| O12 | P2 | O32 | 113.1° | 109.4° |
| P2 | O12 | H7 | 109.5° | 114.0° |
| P2 | O32 | H10 | 109.5° | 114.0° |
| H8 | C06 | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O24 | P4 | O34 | O14 | 129.9° | 120.0° |
| O24 | P4 | O34 | O4 | 113.4° | 120.0° |
| O24 | P4 | O14 | O4 | 110.3° | 120.0° |
| O24 | P4 | O4 | C4 | 57.2° | 55.0° |
| O24 | P4 | O14 | H16 | 0.0° | 180.0° |
| O24 | P4 | O34 | H17 | 0.0° | 60.0° |
| O34 | P4 | O14 | O4 | 119.7° | 120.0° |
| O34 | P4 | O4 | C4 | 177.1° | 175.0° |
| O34 | P4 | O14 | H16 | 129.9° | 60.0° |
| O14 | P4 | O4 | C4 | 60.4° | 65.0° |
| O14 | P4 | O34 | H17 | 129.9° | 60.0° |
| P4 | O4 | C4 | C5 | 95.3° | 120.0° |
| P4 | O4 | C4 | C3 | 141.8° | 120.0° |
| P4 | O4 | C4 | H3 | 23.5° | 0.1° |
| O4 | P4 | O14 | H16 | 110.3° | 60.0° |
| O4 | P4 | O34 | H17 | 113.4° | 180.0° |
| O5 | C5 | C4 | O4 | 60.9° | 60.1° |
| O5 | C5 | C4 | C6 | 121.0° | 120.0° |
| O5 | C5 | C4 | H4 | 119.4° | 120.0° |
| O5 | C5 | C6 | H4 | 120.1° | 120.0° |
| O5 | C5 | C6 | C06 | 59.0° | 60.0° |
| O5 | C5 | C4 | C3 | 178.4° | 180.0° |
| O5 | C5 | C6 | C1 | 179.6° | 180.0° |
| O5 | C5 | C4 | H3 | 58.6° | 60.0° |
| O5 | C5 | C6 | H12 | 62.5° | 60.0° |
| O4 | C4 | C5 | C3 | 120.7° | 119.9° |
| O4 | C4 | C5 | H3 | 119.5° | 120.0° |
| O4 | C4 | C5 | C6 | 178.1° | 180.0° |
| O4 | C4 | C3 | H3 | 119.0° | 120.0° |
| O4 | C4 | C3 | O3 | 63.8° | 60.0° |
| O4 | C4 | C3 | C2 | 175.3° | 180.0° |
| O4 | C4 | C3 | H2 | 57.1° | 60.0° |
| O4 | C4 | C5 | H4 | 58.5° | 60.0° |
| C4 | C5 | C6 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | C06 | 179.2° | 180.0° |
| C5 | C4 | C3 | H3 | 119.8° | 120.1° |
| C4 | C5 | C6 | C1 | 59.4° | 60.0° |
| C5 | C4 | C3 | O3 | 175.0° | 180.0° |
| C5 | C4 | C3 | C2 | 54.1° | 60.0° |
| C5 | C4 | C3 | H2 | 64.1° | 59.9° |
| C4 | C5 | C6 | H12 | 57.7° | 59.9° |
| C4 | C5 | O5 | H14 | 23.3° | 60.0° |
| C5 | C6 | C06 | C1 | 117.0° | 120.0° |
| C5 | C6 | C06 | H12 | 121.4° | 120.0° |
| C5 | C6 | C06 | O06 | 68.1° | 65.0° |
| C6 | C5 | C4 | C3 | 57.5° | 60.0° |
| C5 | C6 | C1 | H12 | 116.9° | 120.0° |
| C5 | C6 | C1 | C2 | 63.7° | 60.0° |
| C5 | C6 | C1 | O1 | 176.1° | 180.0° |
| C6 | C5 | C4 | H3 | 62.4° | 60.0° |
| C5 | C6 | C06 | H8 | 52.1° | 54.9° |
| C5 | C6 | C06 | H9 | 171.6° | 175.0° |
| C5 | C6 | C1 | H11 | 56.0° | 60.0° |
| C6 | C5 | O5 | H14 | 145.8° | 180.0° |
| C6 | C06 | O06 | H8 | 120.3° | 119.9° |
| C6 | C06 | O06 | H9 | 120.3° | 120.1° |
| C06 | C6 | C1 | H12 | 121.4° | 120.0° |
| C06 | C6 | C1 | C2 | 174.7° | 180.0° |
| C06 | C6 | C1 | O1 | 54.5° | 59.9° |
| C06 | C6 | C5 | H4 | 61.1° | 60.0° |
| C6 | C06 | O06 | H6 | 72.7° | 180.0° |
| C6 | C06 | H8 | H9 | 119.3° | 120.1° |
| C06 | C6 | C1 | H11 | 65.6° | 60.0° |
| O06 | C06 | C6 | C1 | 48.9° | 175.0° |
| O06 | C06 | H8 | H9 | 119.2° | 120.0° |
| O06 | C06 | C6 | H12 | 170.4° | 55.1° |
| C4 | C3 | O3 | C2 | 118.9° | 120.0° |
| C4 | C3 | O3 | H2 | 120.1° | 120.0° |
| C4 | C3 | C2 | H2 | 118.2° | 120.0° |
| C4 | C3 | C2 | C1 | 58.2° | 60.0° |
| C4 | C3 | C2 | O2 | 175.6° | 180.0° |
| C4 | C3 | C2 | H1 | 63.1° | 60.0° |
| C3 | C4 | C5 | H4 | 62.2° | 60.0° |
| C4 | C3 | O3 | H13 | 139.2° | 60.1° |
| C6 | C1 | C2 | C3 | 66.4° | 60.0° |
| C6 | C1 | C2 | O1 | 119.5° | 120.0° |
| C6 | C1 | C2 | H11 | 119.7° | 120.0° |
| C6 | C1 | O1 | H11 | 119.5° | 119.9° |
| C6 | C1 | C2 | O2 | 176.1° | 180.0° |
| C6 | C1 | O1 | P1 | 108.1° | 120.0° |
| C6 | C1 | C2 | H1 | 54.9° | 60.0° |
| C1 | C6 | C5 | H4 | 60.3° | 60.0° |
| C1 | C6 | C06 | H8 | 169.1° | 65.1° |
| C1 | C6 | C06 | H9 | 71.3° | 55.0° |
| O3 | C3 | C2 | H2 | 121.8° | 120.1° |
| O3 | C3 | C2 | C1 | 178.2° | 180.0° |
| O3 | C3 | C2 | O2 | 64.4° | 60.0° |
| O3 | C3 | C2 | H1 | 56.9° | 60.0° |
| O3 | C3 | C4 | H3 | 55.2° | 60.0° |
| C3 | C2 | C1 | O2 | 117.5° | 120.0° |
| C3 | C2 | C1 | H1 | 121.3° | 120.0° |
| C3 | C2 | C1 | O1 | 174.1° | 180.0° |
| C3 | C2 | O2 | H1 | 120.5° | 120.0° |
| C3 | C2 | O2 | P2 | 103.6° | 120.0° |
| C2 | C3 | C4 | H3 | 65.7° | 60.0° |
| C3 | C2 | C1 | H11 | 53.3° | 60.0° |
| C2 | C3 | O3 | H13 | 20.3° | 180.0° |
| C2 | C1 | O1 | H11 | 120.1° | 120.0° |
| C1 | C2 | O2 | H1 | 120.5° | 120.0° |
| C2 | C1 | O1 | P1 | 131.4° | 120.0° |
| C1 | C2 | O2 | P2 | 137.4° | 120.0° |
| C1 | C2 | C3 | H2 | 60.0° | 60.0° |
| C2 | C1 | C6 | H12 | 53.2° | 60.0° |
| O1 | C1 | C2 | O2 | 56.6° | 60.0° |
| C1 | O1 | P1 | O11 | 17.6° | 55.0° |
| C1 | O1 | P1 | O31 | 136.6° | 175.0° |
| C1 | O1 | P1 | O21 | 102.5° | 65.0° |
| O1 | C1 | C2 | H1 | 64.6° | 60.0° |
| O1 | C1 | C6 | H12 | 67.0° | 60.1° |
| C2 | O2 | P2 | O22 | 58.5° | 55.0° |
| C2 | O2 | P2 | O12 | 61.7° | 175.0° |
| C2 | O2 | P2 | O32 | 177.4° | 65.0° |
| O2 | C2 | C3 | H2 | 57.4° | 60.0° |
| O2 | C2 | C1 | H11 | 64.2° | 60.0° |
| O1 | P1 | O11 | O31 | 113.1° | 120.0° |
| O1 | P1 | O11 | O21 | 117.5° | 120.0° |
| O1 | P1 | O31 | O21 | 118.5° | 120.0° |
| O1 | P1 | O21 | H5 | 114.1° | 60.0° |
| P1 | O1 | C1 | H11 | 11.3° | 0.0° |
| O1 | P1 | O31 | H15 | 112.1° | 180.0° |
| O11 | P1 | O31 | O21 | 129.5° | 119.9° |
| O11 | P1 | O21 | H5 | 0.0° | 180.0° |
| O11 | P1 | O31 | H15 | 0.0° | 60.0° |
| O31 | P1 | O21 | H5 | 129.7° | 60.0° |
| O21 | P1 | O31 | H15 | 129.5° | 60.0° |
| O2 | P2 | O22 | O12 | 116.8° | 120.0° |
| O2 | P2 | O22 | O32 | 111.3° | 120.0° |
| O2 | P2 | O12 | O32 | 115.1° | 120.0° |
| P2 | O2 | C2 | H1 | 16.9° | 0.0° |
| O2 | P2 | O12 | H7 | 112.4° | 180.0° |
| O2 | P2 | O32 | H10 | 109.9° | 60.0° |
| O22 | P2 | O12 | O32 | 132.5° | 120.0° |
| O22 | P2 | O12 | H7 | 0.0° | 60.0° |
| O22 | P2 | O32 | H10 | 0.0° | 180.0° |
| O12 | P2 | O32 | H10 | 132.1° | 60.0° |
| O32 | P2 | O12 | H7 | 132.5° | 60.0° |
| H1 | C2 | C3 | H2 | 178.7° | 179.9° |
| H1 | C2 | C1 | H11 | 174.6° | 180.0° |
| H2 | C3 | C4 | H3 | 176.1° | 180.0° |
| H2 | C3 | O3 | H13 | 100.7° | 59.9° |
| H3 | C4 | C5 | H4 | 177.9° | 180.0° |
| H4 | C5 | C6 | H12 | 177.4° | 179.9° |
| H4 | C5 | O5 | H14 | 95.1° | 60.0° |
| H6 | O06 | C06 | H8 | 167.0° | 60.0° |
| H6 | O06 | C06 | H9 | 47.6° | 59.9° |
| H8 | C06 | C6 | H12 | 69.3° | 175.0° |
| H9 | C06 | C6 | H12 | 50.2° | 65.0° |
| H11 | C1 | C6 | H12 | 172.9° | NaN° |
