RI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.50Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C02 | C03 | doub | 1.31Å | 1.32Å | |
| C02 | C04 | sing | 1.51Å | 1.50Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C03 | H03A | sing | 1.08Å | 1.08Å | |
| C05 | C04 | sing | 1.55Å | 1.52Å | |
| C04 | C09 | sing | 1.55Å | 1.52Å | |
| C04 | H04 | sing | 1.09Å | 1.10Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C05 | O12 | sing | 1.46Å | 1.42Å | |
| C05 | H05 | sing | 1.09Å | 1.10Å | |
| C06 | O19 | sing | 1.47Å | 1.44Å | |
| C06 | C07 | sing | 1.52Å | 1.55Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| C21 | C07 | sing | 1.53Å | 1.52Å | |
| C07 | C15 | sing | 1.54Å | 1.51Å | |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| O20 | C08 | sing | 1.43Å | 1.43Å | |
| C08 | C09 | sing | 1.52Å | 1.52Å | |
| C08 | C13 | sing | 1.55Å | 1.52Å | |
| C09 | C10 | sing | 1.52Å | 1.49Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| O12 | C10 | sing | 1.34Å | 1.45Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C14 | C13 | sing | 1.55Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| O16 | C14 | sing | 1.44Å | 1.43Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | C15 | sing | 1.51Å | 1.48Å | |
| C15 | O16 | sing | 1.44Å | 1.43Å | |
| O19 | C17 | sing | 1.34Å | 1.45Å | |
| C17 | O18 | doub | 1.21Å | 1.22Å | |
| O20 | HO20 | sing | 0.97Å | 0.95Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H01A | 109.5° | 109.4° |
| C02 | C01 | H01B | 109.5° | 109.4° |
| C01 | C02 | C03 | 119.1° | 120.0° |
| C01 | C02 | C04 | 120.0° | 120.0° |
| H01 | C01 | H01A | 109.4° | 109.5° |
| H01 | C01 | H01B | 109.5° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.5° |
| C03 | C02 | C04 | 120.9° | 120.0° |
| C02 | C03 | H03 | 120.0° | 120.0° |
| C02 | C03 | H03A | 120.0° | 120.1° |
| C02 | C04 | C05 | 113.4° | 111.7° |
| C02 | C04 | C09 | 117.3° | 111.7° |
| C02 | C04 | H04 | 98.9° | 111.5° |
| H03 | C03 | H03A | 120.0° | 119.9° |
| C05 | C04 | C09 | 101.9° | 97.8° |
| C05 | C04 | H04 | 115.1° | 111.8° |
| C04 | C05 | C06 | 112.1° | 107.4° |
| C04 | C05 | O12 | 102.3° | 104.4° |
| C04 | C05 | H05 | 111.4° | 111.7° |
| C09 | C04 | H04 | 111.0° | 111.7° |
| C04 | C09 | C08 | 112.0° | 107.4° |
| C04 | C09 | C10 | 97.6° | 102.5° |
| C04 | C09 | H09 | 114.6° | 112.7° |
| C06 | C05 | O12 | 106.2° | 108.7° |
| C06 | C05 | H05 | 107.9° | 112.5° |
| C05 | C06 | O19 | 106.4° | 107.6° |
| C05 | C06 | C07 | 117.2° | 113.5° |
| C05 | C06 | H06 | 106.3° | 109.9° |
| O12 | C05 | H05 | 116.9° | 111.7° |
| C05 | O12 | C10 | 102.4° | 110.4° |
| O19 | C06 | C07 | 109.3° | 105.2° |
| O19 | C06 | H06 | 114.7° | 110.0° |
| C06 | O19 | C17 | 109.0° | 109.2° |
| C07 | C06 | H06 | 103.2° | 110.5° |
| C06 | C07 | C21 | 109.4° | 109.5° |
| C06 | C07 | C15 | 103.5° | 103.3° |
| C06 | C07 | C08 | 118.7° | 117.9° |
| C21 | C07 | C15 | 110.3° | 109.4° |
| C21 | C07 | C08 | 107.9° | 108.8° |
| C07 | C21 | H21 | 109.5° | 109.4° |
| C07 | C21 | H21A | 109.4° | 109.5° |
| C07 | C21 | H21B | 109.5° | 109.5° |
| C15 | C07 | C08 | 106.7° | 107.6° |
| C07 | C15 | C14 | 110.3° | 106.4° |
| C07 | C15 | C17 | 108.6° | 105.2° |
| C07 | C15 | O16 | 122.9° | 127.1° |
| C07 | C08 | O20 | 108.6° | 109.3° |
| C07 | C08 | C09 | 113.0° | 115.0° |
| C07 | C08 | C13 | 107.5° | 105.2° |
| O20 | C08 | C09 | 110.4° | 109.2° |
| O20 | C08 | C13 | 106.1° | 108.7° |
| C08 | O20 | HO20 | 109.5° | 114.0° |
| C09 | C08 | C13 | 110.9° | 109.3° |
| C08 | C09 | C10 | 107.0° | 107.7° |
| C08 | C09 | H09 | 106.3° | 112.5° |
| C08 | C13 | C14 | 109.1° | 103.6° |
| C08 | C13 | H13 | 109.6° | 110.6° |
| C08 | C13 | H13A | 109.6° | 110.6° |
| C10 | C09 | H09 | 119.1° | 113.4° |
| C09 | C10 | O12 | 112.7° | 108.6° |
| C09 | C10 | O11 | 125.4° | 125.7° |
| O12 | C10 | O11 | 121.9° | 125.7° |
| C14 | C13 | H13 | 109.6° | 110.6° |
| C14 | C13 | H13A | 109.6° | 110.7° |
| C13 | C14 | C15 | 105.1° | 106.1° |
| C13 | C14 | O16 | 115.1° | 114.5° |
| C13 | C14 | H14 | 101.0° | 118.7° |
| H13 | C13 | H13A | 109.3° | 110.5° |
| C15 | C14 | O16 | 57.6° | 57.8° |
| C15 | C14 | H14 | 140.9° | 123.7° |
| C14 | C15 | C17 | 108.1° | 127.9° |
| C14 | C15 | O16 | 58.0° | 57.7° |
| O16 | C14 | H14 | 132.5° | 121.1° |
| C14 | O16 | C15 | 64.4° | 64.4° |
| C17 | C15 | O16 | 128.4° | 124.5° |
| C15 | C17 | O19 | 108.9° | 109.0° |
| C15 | C17 | O18 | 126.4° | 125.5° |
| O19 | C17 | O18 | 124.7° | 125.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.4° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | H01 | H01A | 120.0° | 120.0° |
| C02 | C01 | H01 | H01B | 120.0° | 120.0° |
| C02 | C01 | H01A | H01B | 120.0° | 119.9° |
| C01 | C02 | C03 | C04 | 177.4° | 180.0° |
| C01 | C02 | C03 | H03 | 177.5° | 127.0° |
| C01 | C02 | C03 | H03A | 2.6° | 53.0° |
| C01 | C02 | C04 | C05 | 28.0° | 136.3° |
| C01 | C02 | C04 | C09 | 146.3° | 115.2° |
| C01 | C02 | C04 | H04 | 94.4° | 10.5° |
| H01 | C01 | H01A | H01B | 120.0° | 120.1° |
| H01 | C01 | C02 | C03 | 180.0° | 2.6° |
| H01 | C01 | C02 | C04 | 2.6° | 177.4° |
| H01A | C01 | C02 | C03 | 60.0° | 117.4° |
| H01A | C01 | C02 | C04 | 122.5° | 62.5° |
| H01B | C01 | C02 | C03 | 60.0° | 122.6° |
| H01B | C01 | C02 | C04 | 117.5° | 57.4° |
| C02 | C03 | H03 | H03A | 180.0° | 180.0° |
| C03 | C02 | C04 | C05 | 154.6° | 43.7° |
| C03 | C02 | C04 | C09 | 36.3° | 64.7° |
| C03 | C02 | C04 | H04 | 83.0° | 169.5° |
| C04 | C02 | C03 | H03 | 0.0° | 53.0° |
| C04 | C02 | C03 | H03A | 180.0° | 127.0° |
| C02 | C04 | C05 | C09 | 127.0° | 117.2° |
| C02 | C04 | C05 | H04 | 112.8° | 125.7° |
| C02 | C04 | C09 | H04 | 112.6° | 125.6° |
| C02 | C04 | C05 | C06 | 62.9° | 39.3° |
| C02 | C04 | C05 | O12 | 176.3° | 154.5° |
| C02 | C04 | C05 | H05 | 58.1° | 84.5° |
| C02 | C04 | C09 | C08 | 49.4° | 40.8° |
| C02 | C04 | C09 | C10 | 161.2° | 154.0° |
| C02 | C04 | C09 | H09 | 71.9° | 83.7° |
| C05 | C04 | C09 | H04 | 123.0° | 117.2° |
| C04 | C05 | C06 | O12 | 111.0° | 112.4° |
| C04 | C05 | C06 | H05 | 123.0° | 123.3° |
| C04 | C05 | O12 | H05 | 122.0° | 120.9° |
| C04 | C05 | C06 | O19 | 148.5° | 167.9° |
| C04 | C05 | C06 | C07 | 26.0° | 51.9° |
| C04 | C05 | C06 | H06 | 88.8° | 72.4° |
| C05 | C04 | C09 | C08 | 75.0° | 76.4° |
| C05 | C04 | C09 | C10 | 36.9° | 36.9° |
| C05 | C04 | C09 | H09 | 163.8° | 159.1° |
| C04 | C05 | O12 | C10 | 38.4° | 24.5° |
| C09 | C04 | C05 | C06 | 64.1° | 77.9° |
| C09 | C04 | C05 | O12 | 49.3° | 37.4° |
| C09 | C04 | C05 | H05 | 174.9° | 158.3° |
| C04 | C09 | C08 | C07 | 43.0° | 49.8° |
| C04 | C09 | C08 | O20 | 78.8° | 73.4° |
| C04 | C09 | C08 | C10 | 105.9° | 109.8° |
| C04 | C09 | C08 | H09 | 125.9° | 124.6° |
| C04 | C09 | C08 | C13 | 163.8° | 167.8° |
| C04 | C09 | C10 | H09 | 123.7° | 121.8° |
| C04 | C09 | C10 | O12 | 14.7° | 25.3° |
| C04 | C09 | C10 | O11 | 165.2° | 154.8° |
| H04 | C04 | C05 | C06 | 175.7° | 164.9° |
| H04 | C04 | C05 | O12 | 70.9° | 79.8° |
| H04 | C04 | C05 | H05 | 54.7° | 41.1° |
| H04 | C04 | C09 | C08 | 162.0° | 166.4° |
| H04 | C04 | C09 | C10 | 86.2° | 80.3° |
| H04 | C04 | C09 | H09 | 40.7° | 41.9° |
| C06 | C05 | O12 | H05 | 120.3° | 124.7° |
| C05 | C06 | O19 | C07 | 127.4° | 121.3° |
| C05 | C06 | O19 | H06 | 117.2° | 119.7° |
| C05 | C06 | C07 | H06 | 116.4° | 124.0° |
| C05 | C06 | C07 | C21 | 116.7° | 146.8° |
| C05 | C06 | C07 | C15 | 125.7° | 96.7° |
| C05 | C06 | C07 | C08 | 7.7° | 21.7° |
| C06 | C05 | O12 | C10 | 79.3° | 89.9° |
| C05 | C06 | O19 | C17 | 127.0° | 91.4° |
| O12 | C05 | C06 | O19 | 37.6° | 55.4° |
| O12 | C05 | C06 | C07 | 85.0° | 60.5° |
| O12 | C05 | C06 | H06 | 160.3° | 175.2° |
| C05 | O12 | C10 | C09 | 15.0° | 0.7° |
| C05 | O12 | C10 | O11 | 165.0° | 179.4° |
| H05 | C05 | C06 | O19 | 88.5° | 68.8° |
| H05 | C05 | C06 | C07 | 149.0° | 175.2° |
| H05 | C05 | C06 | H06 | 34.2° | 50.9° |
| H05 | C05 | O12 | C10 | 160.4° | 145.4° |
| O19 | C06 | C07 | H06 | 122.5° | 118.6° |
| O19 | C06 | C07 | C21 | 122.2° | 95.8° |
| O19 | C06 | C07 | C15 | 4.6° | 20.6° |
| O19 | C06 | C07 | C08 | 113.4° | 139.1° |
| C06 | O19 | C17 | C15 | 5.7° | 26.2° |
| C06 | O19 | C17 | O18 | 171.4° | 153.8° |
| C06 | C07 | C21 | C15 | 113.2° | 112.6° |
| C06 | C07 | C21 | C08 | 130.5° | 130.2° |
| C06 | C07 | C15 | C08 | 126.0° | 125.4° |
| C06 | C07 | C08 | O20 | 122.3° | 102.3° |
| C06 | C07 | C08 | C09 | 0.6° | 20.9° |
| C06 | C07 | C08 | C13 | 123.3° | 141.2° |
| C06 | C07 | C15 | C14 | 126.3° | 131.8° |
| C06 | C07 | C15 | C17 | 8.0° | 6.2° |
| C06 | C07 | C15 | O16 | 169.3° | 166.6° |
| C07 | C06 | O19 | C17 | 0.5° | 29.9° |
| C06 | C07 | C21 | H21 | 180.0° | 87.4° |
| C06 | C07 | C21 | H21A | 60.0° | 152.6° |
| C06 | C07 | C21 | H21B | 60.0° | 32.5° |
| H06 | C06 | C07 | C21 | 0.3° | 22.8° |
| H06 | C06 | C07 | C15 | 117.9° | 139.2° |
| H06 | C06 | C07 | C08 | 124.1° | 102.3° |
| H06 | C06 | O19 | C17 | 115.8° | 148.9° |
| C21 | C07 | C15 | C08 | 117.0° | 118.1° |
| C21 | C07 | C08 | O20 | 2.8° | 23.1° |
| C21 | C07 | C08 | C09 | 125.7° | 146.3° |
| C21 | C07 | C08 | C13 | 111.6° | 93.4° |
| C21 | C07 | C15 | C14 | 116.7° | 111.7° |
| C21 | C07 | C15 | C17 | 124.9° | 110.3° |
| C21 | C07 | C15 | O16 | 52.4° | 50.1° |
| C07 | C21 | H21 | H21A | 120.0° | 120.0° |
| C07 | C21 | H21 | H21B | 120.0° | 120.0° |
| C07 | C21 | H21A | H21B | 120.0° | 120.0° |
| C15 | C07 | C08 | O20 | 121.4° | 141.5° |
| C15 | C07 | C08 | C09 | 115.7° | 95.3° |
| C15 | C07 | C08 | C13 | 7.0° | 25.0° |
| C07 | C15 | C14 | C13 | 6.4° | 14.7° |
| C07 | C15 | C14 | C17 | 118.6° | 125.1° |
| C07 | C15 | C14 | O16 | 116.9° | 123.9° |
| C07 | C15 | C14 | H14 | 123.9° | 127.8° |
| C07 | C15 | C17 | O16 | 177.1° | 161.0° |
| C07 | C15 | C17 | O19 | 8.7° | 11.8° |
| C07 | C15 | C17 | O18 | 168.2° | 168.2° |
| C15 | C07 | C21 | H21 | 66.8° | 25.1° |
| C15 | C07 | C21 | H21A | 173.2° | 94.9° |
| C15 | C07 | C21 | H21B | 53.2° | 145.1° |
| C07 | C08 | O20 | C09 | 124.4° | 126.6° |
| C07 | C08 | O20 | C13 | 115.3° | 114.2° |
| C07 | C08 | C09 | C13 | 120.8° | 118.0° |
| C07 | C08 | C09 | C10 | 62.9° | 59.9° |
| C07 | C08 | C09 | H09 | 168.9° | 174.5° |
| C07 | C08 | C13 | C14 | 11.2° | 33.5° |
| C07 | C08 | C13 | H13 | 131.2° | 152.1° |
| C07 | C08 | C13 | H13A | 108.8° | 85.1° |
| C08 | C07 | C15 | C14 | 0.3° | 6.4° |
| C08 | C07 | C15 | C17 | 118.1° | 131.6° |
| C08 | C07 | C15 | O16 | 64.6° | 68.0° |
| C07 | C08 | O20 | HO20 | 180.0° | 180.0° |
| C08 | C07 | C21 | H21 | 49.5° | 142.4° |
| C08 | C07 | C21 | H21A | 70.5° | 22.4° |
| C08 | C07 | C21 | H21B | 169.5° | 97.6° |
| O20 | C08 | C09 | C13 | 117.4° | 118.7° |
| O20 | C08 | C09 | C10 | 175.3° | 176.8° |
| O20 | C08 | C09 | H09 | 47.1° | 51.2° |
| O20 | C08 | C13 | C14 | 127.3° | 150.4° |
| O20 | C08 | C13 | H13 | 112.8° | 91.1° |
| O20 | C08 | C13 | H13A | 7.2° | 31.8° |
| C08 | C09 | C10 | H09 | 120.4° | 125.1° |
| C08 | C09 | C10 | O12 | 101.1° | 87.8° |
| C08 | C09 | C10 | O11 | 78.9° | 92.2° |
| C09 | C08 | C13 | C14 | 112.8° | 90.5° |
| C09 | C08 | C13 | H13 | 7.2° | 28.1° |
| C09 | C08 | C13 | H13A | 127.2° | 150.9° |
| C09 | C08 | O20 | HO20 | 55.6° | 53.4° |
| C13 | C08 | C09 | C10 | 57.9° | 58.1° |
| C13 | C08 | C09 | H09 | 70.3° | 67.6° |
| C08 | C13 | C14 | H13 | 120.0° | 118.5° |
| C08 | C13 | C14 | H13A | 120.0° | 118.6° |
| C08 | C13 | H13 | H13A | 120.2° | 122.9° |
| C08 | C13 | C14 | C15 | 10.8° | 29.7° |
| C08 | C13 | C14 | O16 | 71.7° | 91.2° |
| C08 | C13 | C14 | H14 | 139.9° | 115.1° |
| C13 | C08 | O20 | HO20 | 64.7° | 65.7° |
| C09 | C10 | O12 | O11 | 180.0° | 179.9° |
| H09 | C09 | C10 | O12 | 138.4° | 147.1° |
| H09 | C09 | C10 | O11 | 41.5° | 33.0° |
| C14 | C13 | H13 | H13A | 120.2° | 123.0° |
| C13 | C14 | C15 | O16 | 110.5° | 109.2° |
| C13 | C14 | C15 | H14 | 130.3° | 142.6° |
| C13 | C14 | O16 | H14 | 135.8° | 153.0° |
| C13 | C14 | C15 | C17 | 125.0° | 139.8° |
| H13 | C13 | C14 | C15 | 130.8° | 148.2° |
| H13 | C13 | C14 | O16 | 168.3° | 150.3° |
| H13 | C13 | C14 | H14 | 19.9° | 3.4° |
| H13A | C13 | C14 | C15 | 109.2° | 88.9° |
| H13A | C13 | C14 | O16 | 48.3° | 27.4° |
| H13A | C13 | C14 | H14 | 100.1° | 126.3° |
| C15 | C14 | O16 | H14 | 131.7° | 112.7° |
| C14 | C15 | C17 | O16 | 63.1° | 73.4° |
| C14 | C15 | C17 | O19 | 128.5° | 137.4° |
| C14 | C15 | C17 | O18 | 48.5° | 42.6° |
| H14 | C14 | C15 | C17 | 5.2° | 2.7° |
| C15 | C17 | O19 | O18 | 177.0° | 180.0° |
| O16 | C15 | C17 | O19 | 168.4° | 149.2° |
| O16 | C15 | C17 | O18 | 14.6° | 30.8° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
