IHP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | C6 | sing | 1.53Å | 1.58Å | |
| C1 | O11 | sing | 1.43Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | O12 | sing | 1.43Å | 1.40Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.49Å | |
| C3 | O13 | sing | 1.43Å | 1.45Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | O14 | sing | 1.43Å | 1.47Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | O15 | sing | 1.43Å | 1.40Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | O16 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O11 | P1 | sing | 1.61Å | 1.62Å | |
| P1 | O21 | doub | 1.48Å | 1.51Å | |
| P1 | O31 | sing | 1.61Å | 1.53Å | |
| P1 | O41 | sing | 1.61Å | 1.49Å | |
| O31 | H31 | sing | 0.97Å | 0.95Å | |
| O41 | H41 | sing | 0.97Å | 0.95Å | |
| O12 | P2 | sing | 1.61Å | 1.63Å | |
| P2 | O22 | doub | 1.48Å | 1.52Å | |
| P2 | O32 | sing | 1.61Å | 1.52Å | |
| P2 | O42 | sing | 1.61Å | 1.49Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| O13 | P3 | sing | 1.61Å | 1.63Å | |
| P3 | O23 | doub | 1.48Å | 1.51Å | |
| P3 | O33 | sing | 1.61Å | 1.52Å | |
| P3 | O43 | sing | 1.61Å | 1.51Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| O43 | H43 | sing | 0.97Å | 0.95Å | |
| O14 | P4 | sing | 1.61Å | 1.65Å | |
| P4 | O24 | doub | 1.48Å | 1.50Å | |
| P4 | O34 | sing | 1.61Å | 1.52Å | |
| P4 | O44 | sing | 1.61Å | 1.52Å | |
| O34 | H34 | sing | 0.97Å | 0.95Å | |
| O44 | H44 | sing | 0.97Å | 0.95Å | |
| O15 | P5 | sing | 1.61Å | 1.63Å | |
| P5 | O25 | doub | 1.48Å | 1.51Å | |
| P5 | O35 | sing | 1.61Å | 1.51Å | |
| P5 | O45 | sing | 1.61Å | 1.49Å | |
| O35 | H35 | sing | 0.97Å | 0.95Å | |
| O45 | H45 | sing | 0.97Å | 0.95Å | |
| O16 | P6 | sing | 1.61Å | 1.62Å | |
| P6 | O26 | doub | 1.48Å | 1.49Å | |
| P6 | O36 | sing | 1.61Å | 1.52Å | |
| P6 | O46 | sing | 1.61Å | 1.54Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å | |
| O46 | H46 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 108.0° | 109.5° |
| C2 | C1 | O11 | 112.5° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C1 | C2 | C3 | 115.1° | 109.5° |
| C1 | C2 | O12 | 110.3° | 109.4° |
| C1 | C2 | H2 | 106.1° | 109.5° |
| C6 | C1 | O11 | 110.5° | 109.5° |
| C6 | C1 | H1 | 107.8° | 109.5° |
| C1 | C6 | C5 | 114.3° | 109.5° |
| C1 | C6 | O16 | 107.1° | 109.5° |
| C1 | C6 | H6 | 109.1° | 109.5° |
| O11 | C1 | H1 | 109.5° | 109.5° |
| C1 | O11 | P1 | 121.6° | 123.0° |
| C3 | C2 | O12 | 111.1° | 109.5° |
| C3 | C2 | H2 | 106.2° | 109.5° |
| C2 | C3 | C4 | 110.2° | 109.5° |
| C2 | C3 | O13 | 111.7° | 109.5° |
| C2 | C3 | H3 | 107.8° | 109.5° |
| O12 | C2 | H2 | 107.6° | 109.5° |
| C2 | O12 | P2 | 116.8° | 123.0° |
| C4 | C3 | O13 | 110.4° | 109.4° |
| C4 | C3 | H3 | 108.1° | 109.4° |
| C3 | C4 | C5 | 116.7° | 109.4° |
| C3 | C4 | O14 | 108.0° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.4° |
| O13 | C3 | H3 | 108.6° | 109.5° |
| C3 | O13 | P3 | 121.9° | 123.0° |
| C5 | C4 | O14 | 104.1° | 109.5° |
| C5 | C4 | H4 | 108.7° | 109.5° |
| C4 | C5 | C6 | 114.1° | 109.5° |
| C4 | C5 | O15 | 111.8° | 109.4° |
| C4 | C5 | H5 | 107.4° | 109.5° |
| O14 | C4 | H4 | 109.7° | 109.5° |
| C4 | O14 | P4 | 121.3° | 123.0° |
| C6 | C5 | O15 | 106.9° | 109.5° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C5 | C6 | O16 | 105.9° | 109.5° |
| C5 | C6 | H6 | 109.3° | 109.4° |
| O15 | C5 | H5 | 109.2° | 109.4° |
| C5 | O15 | P5 | 120.7° | 123.0° |
| O16 | C6 | H6 | 111.1° | 109.5° |
| C6 | O16 | P6 | 119.8° | 123.0° |
| O11 | P1 | O21 | 107.8° | 109.5° |
| O11 | P1 | O31 | 102.5° | 109.4° |
| O11 | P1 | O41 | 107.7° | 109.4° |
| O21 | P1 | O31 | 113.4° | 109.5° |
| O21 | P1 | O41 | 112.6° | 109.5° |
| O31 | P1 | O41 | 112.0° | 109.5° |
| P1 | O31 | H31 | 109.5° | 114.0° |
| P1 | O41 | H41 | 109.5° | 114.0° |
| O12 | P2 | O22 | 108.6° | 109.5° |
| O12 | P2 | O32 | 108.5° | 109.5° |
| O12 | P2 | O42 | 102.0° | 109.5° |
| O22 | P2 | O32 | 111.1° | 109.4° |
| O22 | P2 | O42 | 113.2° | 109.4° |
| O32 | P2 | O42 | 112.8° | 109.5° |
| P2 | O32 | H32 | 109.5° | 114.0° |
| P2 | O42 | H42 | 109.5° | 114.0° |
| O13 | P3 | O23 | 107.8° | 109.5° |
| O13 | P3 | O33 | 101.9° | 109.5° |
| O13 | P3 | O43 | 108.3° | 109.5° |
| O23 | P3 | O33 | 112.7° | 109.5° |
| O23 | P3 | O43 | 112.7° | 109.5° |
| O33 | P3 | O43 | 112.7° | 109.5° |
| P3 | O33 | H33 | 109.5° | 114.1° |
| P3 | O43 | H43 | 109.5° | 114.0° |
| O14 | P4 | O24 | 108.1° | 109.4° |
| O14 | P4 | O34 | 101.1° | 109.5° |
| O14 | P4 | O44 | 106.6° | 109.5° |
| O24 | P4 | O34 | 114.9° | 109.5° |
| O24 | P4 | O44 | 113.5° | 109.5° |
| O34 | P4 | O44 | 111.5° | 109.5° |
| P4 | O34 | H34 | 109.5° | 114.0° |
| P4 | O44 | H44 | 109.5° | 114.0° |
| O15 | P5 | O25 | 105.3° | 109.5° |
| O15 | P5 | O35 | 99.1° | 109.5° |
| O15 | P5 | O45 | 112.8° | 109.5° |
| O25 | P5 | O35 | 115.0° | 109.4° |
| O25 | P5 | O45 | 110.0° | 109.5° |
| O35 | P5 | O45 | 114.0° | 109.5° |
| P5 | O35 | H35 | 109.5° | 114.0° |
| P5 | O45 | H45 | 109.5° | 114.0° |
| O16 | P6 | O26 | 108.7° | 109.5° |
| O16 | P6 | O36 | 100.8° | 109.5° |
| O16 | P6 | O46 | 107.5° | 109.5° |
| O26 | P6 | O36 | 115.0° | 109.5° |
| O26 | P6 | O46 | 112.3° | 109.5° |
| O36 | P6 | O46 | 111.5° | 109.4° |
| P6 | O36 | H36 | 109.5° | 114.0° |
| P6 | O46 | H46 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O11 | 123.5° | 120.0° |
| C2 | C1 | C6 | H1 | 116.9° | 120.0° |
| C2 | C1 | O11 | H1 | 120.6° | 120.0° |
| C1 | C2 | C3 | O12 | 126.2° | 120.0° |
| C1 | C2 | C3 | H2 | 117.1° | 120.0° |
| C1 | C2 | O12 | H2 | 115.3° | 120.0° |
| C1 | C2 | C3 | C4 | 58.6° | 60.0° |
| C1 | C2 | C3 | O13 | 64.5° | 180.0° |
| C1 | C2 | C3 | H3 | 176.3° | 60.0° |
| C2 | C1 | C6 | C5 | 48.6° | 60.0° |
| C2 | C1 | C6 | O16 | 68.3° | 180.0° |
| C2 | C1 | C6 | H6 | 171.4° | 60.0° |
| C2 | C1 | O11 | P1 | 135.5° | 120.0° |
| C1 | C2 | O12 | P2 | 103.3° | 120.0° |
| C6 | C1 | O11 | H1 | 118.6° | 120.0° |
| C6 | C1 | C2 | C3 | 59.0° | 60.0° |
| C6 | C1 | C2 | O12 | 174.4° | 60.0° |
| C6 | C1 | C2 | H2 | 58.2° | 180.0° |
| C1 | C6 | C5 | C4 | 40.4° | 60.0° |
| C1 | C6 | C5 | O16 | 117.7° | 120.0° |
| C1 | C6 | C5 | H6 | 122.6° | 120.0° |
| C1 | C6 | C5 | O15 | 83.8° | 180.0° |
| C1 | C6 | C5 | H5 | 159.2° | 60.0° |
| C1 | C6 | O16 | H6 | 119.1° | 120.0° |
| C6 | C1 | O11 | P1 | 103.7° | 120.0° |
| C1 | C6 | O16 | P6 | 111.8° | 120.0° |
| O11 | C1 | C2 | C3 | 63.3° | 180.0° |
| O11 | C1 | C2 | O12 | 63.3° | 60.0° |
| O11 | C1 | C2 | H2 | 179.6° | 60.0° |
| O11 | C1 | C6 | C5 | 74.9° | 180.0° |
| O11 | C1 | C6 | O16 | 168.2° | 60.0° |
| O11 | C1 | C6 | H6 | 47.8° | 60.0° |
| C1 | O11 | P1 | O21 | 136.1° | 55.0° |
| C1 | O11 | P1 | O31 | 103.9° | 175.0° |
| C1 | O11 | P1 | O41 | 14.4° | 65.1° |
| H1 | C1 | C2 | C3 | 175.5° | 60.1° |
| H1 | C1 | C2 | O12 | 57.9° | 180.0° |
| H1 | C1 | C2 | H2 | 58.3° | 60.0° |
| H1 | C1 | C6 | C5 | 165.5° | 60.0° |
| H1 | C1 | C6 | O16 | 48.6° | 60.0° |
| H1 | C1 | C6 | H6 | 71.7° | 180.0° |
| H1 | C1 | O11 | P1 | 14.9° | 0.0° |
| C3 | C2 | O12 | H2 | 115.8° | 120.0° |
| C2 | C3 | C4 | O13 | 123.8° | 120.0° |
| C2 | C3 | C4 | H3 | 117.6° | 120.1° |
| C2 | C3 | O13 | H3 | 118.8° | 120.1° |
| C2 | C3 | C4 | C5 | 46.9° | 60.0° |
| C2 | C3 | C4 | O14 | 69.9° | 180.0° |
| C2 | C3 | C4 | H4 | 170.8° | 59.9° |
| C3 | C2 | O12 | P2 | 127.9° | 120.0° |
| C2 | C3 | O13 | P3 | 129.9° | 120.0° |
| O12 | C2 | C3 | C4 | 175.2° | 60.0° |
| O12 | C2 | C3 | O13 | 61.8° | 60.0° |
| O12 | C2 | C3 | H3 | 57.5° | 180.0° |
| C2 | O12 | P2 | O22 | 52.6° | 55.0° |
| C2 | O12 | P2 | O32 | 68.3° | 175.0° |
| C2 | O12 | P2 | O42 | 172.4° | 65.0° |
| H2 | C2 | C3 | C4 | 58.5° | 180.0° |
| H2 | C2 | C3 | O13 | 178.4° | 60.0° |
| H2 | C2 | C3 | H3 | 59.2° | 60.0° |
| H2 | C2 | O12 | P2 | 12.0° | 0.0° |
| C4 | C3 | O13 | H3 | 118.3° | 119.9° |
| C3 | C4 | C5 | O14 | 118.9° | 120.0° |
| C3 | C4 | C5 | H4 | 124.2° | 119.9° |
| C3 | C4 | O14 | H4 | 119.1° | 120.0° |
| C3 | C4 | C5 | C6 | 39.8° | 60.0° |
| C3 | C4 | C5 | O15 | 81.7° | 180.0° |
| C3 | C4 | C5 | H5 | 158.5° | 60.1° |
| C4 | C3 | O13 | P3 | 107.1° | 120.0° |
| C3 | C4 | O14 | P4 | 108.4° | 120.0° |
| O13 | C3 | C4 | C5 | 76.9° | 180.0° |
| O13 | C3 | C4 | O14 | 166.3° | 60.0° |
| O13 | C3 | C4 | H4 | 47.0° | 60.0° |
| C3 | O13 | P3 | O23 | 54.9° | 55.0° |
| C3 | O13 | P3 | O33 | 173.7° | 65.0° |
| C3 | O13 | P3 | O43 | 67.3° | 175.0° |
| H3 | C3 | C4 | C5 | 164.5° | 60.1° |
| H3 | C3 | C4 | O14 | 47.7° | 59.9° |
| H3 | C3 | C4 | H4 | 71.6° | 180.0° |
| H3 | C3 | O13 | P3 | 11.2° | 0.0° |
| C5 | C4 | O14 | H4 | 116.2° | 120.1° |
| C4 | C5 | C6 | O15 | 124.2° | 120.0° |
| C4 | C5 | C6 | H5 | 118.8° | 120.0° |
| C4 | C5 | O15 | H5 | 118.7° | 119.9° |
| C4 | C5 | C6 | O16 | 77.3° | 179.9° |
| C4 | C5 | C6 | H6 | 163.0° | 60.0° |
| C5 | C4 | O14 | P4 | 126.9° | 120.0° |
| C4 | C5 | O15 | P5 | 98.6° | 120.0° |
| O14 | C4 | C5 | C6 | 79.2° | 180.0° |
| O14 | C4 | C5 | O15 | 159.4° | 60.0° |
| O14 | C4 | C5 | H5 | 39.5° | 59.9° |
| C4 | O14 | P4 | O24 | 76.7° | 55.0° |
| C4 | O14 | P4 | O34 | 44.3° | 175.0° |
| C4 | O14 | P4 | O44 | 160.9° | 65.0° |
| H4 | C4 | C5 | C6 | 164.0° | 59.9° |
| H4 | C4 | C5 | O15 | 42.5° | 60.1° |
| H4 | C4 | C5 | H5 | 77.3° | 180.0° |
| H4 | C4 | O14 | P4 | 10.7° | 0.0° |
| C6 | C5 | O15 | H5 | 115.7° | 120.0° |
| C5 | C6 | O16 | H6 | 118.6° | 119.9° |
| C6 | C5 | O15 | P5 | 135.8° | 120.0° |
| C5 | C6 | O16 | P6 | 125.8° | 120.0° |
| O15 | C5 | C6 | O16 | 158.5° | 60.0° |
| O15 | C5 | C6 | H6 | 38.8° | 60.0° |
| C5 | O15 | P5 | O25 | 83.4° | 55.0° |
| C5 | O15 | P5 | O35 | 157.5° | 175.0° |
| C5 | O15 | P5 | O45 | 36.6° | 65.0° |
| H5 | C5 | C6 | O16 | 41.5° | 60.0° |
| H5 | C5 | C6 | H6 | 78.2° | 180.0° |
| H5 | C5 | O15 | P5 | 20.1° | 0.0° |
| C6 | O16 | P6 | O26 | 47.3° | 55.0° |
| C6 | O16 | P6 | O36 | 168.6° | 175.0° |
| C6 | O16 | P6 | O46 | 74.5° | 65.0° |
| H6 | C6 | O16 | P6 | 7.3° | 0.0° |
| O11 | P1 | O21 | O31 | 112.8° | 120.0° |
| O11 | P1 | O21 | O41 | 118.7° | 120.0° |
| O11 | P1 | O31 | O41 | 115.2° | 119.9° |
| O11 | P1 | O31 | H31 | 115.9° | 179.9° |
| O11 | P1 | O41 | H41 | 118.7° | 60.0° |
| O21 | P1 | O31 | O41 | 128.9° | 120.0° |
| O21 | P1 | O31 | H31 | 0.0° | 60.0° |
| O21 | P1 | O41 | H41 | 0.0° | 180.0° |
| O31 | P1 | O41 | H41 | 129.2° | 59.9° |
| O41 | P1 | O31 | H31 | 128.9° | 60.0° |
| O12 | P2 | O22 | O32 | 119.3° | 120.0° |
| O12 | P2 | O22 | O42 | 112.5° | 120.1° |
| O12 | P2 | O32 | O42 | 112.2° | 120.0° |
| O12 | P2 | O32 | H32 | 119.4° | 180.0° |
| O12 | P2 | O42 | H42 | 116.5° | 59.9° |
| O22 | P2 | O32 | O42 | 128.4° | 119.9° |
| O22 | P2 | O32 | H32 | 0.0° | 60.0° |
| O22 | P2 | O42 | H42 | 0.0° | 180.0° |
| O32 | P2 | O42 | H42 | 127.3° | 60.1° |
| O42 | P2 | O32 | H32 | 128.4° | 60.0° |
| O13 | P3 | O23 | O33 | 111.7° | 120.0° |
| O13 | P3 | O23 | O43 | 119.4° | 120.0° |
| O13 | P3 | O33 | O43 | 115.9° | 120.0° |
| O13 | P3 | O33 | H33 | 115.2° | 59.9° |
| O13 | P3 | O43 | H43 | 119.1° | 180.0° |
| O23 | P3 | O33 | O43 | 128.9° | 120.0° |
| O23 | P3 | O33 | H33 | 0.0° | 179.9° |
| O23 | P3 | O43 | H43 | 0.0° | 60.0° |
| O33 | P3 | O43 | H43 | 128.9° | 60.0° |
| O43 | P3 | O33 | H33 | 128.9° | 60.1° |
| O14 | P4 | O24 | O34 | 112.0° | 120.0° |
| O14 | P4 | O24 | O44 | 118.1° | 120.0° |
| O14 | P4 | O34 | O44 | 113.0° | 120.0° |
| O14 | P4 | O34 | H34 | 116.1° | 180.0° |
| O14 | P4 | O44 | H44 | 118.9° | 60.0° |
| O24 | P4 | O34 | O44 | 130.9° | 120.0° |
| O24 | P4 | O34 | H34 | 0.0° | 60.1° |
| O24 | P4 | O44 | H44 | 0.0° | 179.9° |
| O34 | P4 | O44 | H44 | 131.6° | 60.0° |
| O44 | P4 | O34 | H34 | 130.9° | 59.9° |
| O15 | P5 | O25 | O35 | 107.9° | 120.0° |
| O15 | P5 | O25 | O45 | 121.8° | 120.1° |
| O15 | P5 | O35 | O45 | 120.1° | 120.0° |
| O15 | P5 | O35 | H35 | 111.6° | 180.0° |
| O15 | P5 | O45 | H45 | 117.2° | 59.9° |
| O25 | P5 | O35 | O45 | 128.3° | 120.0° |
| O25 | P5 | O35 | H35 | 0.0° | 60.0° |
| O25 | P5 | O45 | H45 | 0.0° | 180.0° |
| O35 | P5 | O45 | H45 | 130.8° | 60.1° |
| O45 | P5 | O35 | H35 | 128.3° | 59.9° |
| O16 | P6 | O26 | O36 | 112.2° | 120.0° |
| O16 | P6 | O26 | O46 | 118.9° | 120.0° |
| O16 | P6 | O36 | O46 | 113.9° | 120.0° |
| O16 | P6 | O36 | H36 | 116.8° | 180.0° |
| O16 | P6 | O46 | H46 | 119.6° | 60.0° |
| O26 | P6 | O36 | O46 | 129.3° | 120.0° |
| O26 | P6 | O36 | H36 | 0.0° | 59.9° |
| O26 | P6 | O46 | H46 | 0.0° | 179.9° |
| O36 | P6 | O46 | H46 | 130.7° | 60.0° |
| O46 | P6 | O36 | H36 | 129.3° | 60.1° |
