RB3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1M | C1A | sing | 1.37Å | 1.25Å | |
| O1M | C1 | sing | 1.43Å | 33.44Å | |
| C1A | O1A | doub | 1.22Å | 1.25Å | |
| C1A | C2A | sing | 1.51Å | 1.53Å | |
| C2A | C3A | sing | 1.53Å | 1.53Å | |
| C2A | H2A1 | sing | 1.10Å | 1.10Å | |
| C2A | H2A2 | sing | 1.10Å | 1.10Å | |
| C3A | C4A | sing | 1.52Å | 1.53Å | |
| C3A | O3A | sing | 1.43Å | 1.44Å | |
| C3A | H3A | sing | 1.10Å | 1.10Å | |
| C4A | H4A1 | sing | 1.10Å | 1.10Å | |
| C4A | H4A2 | sing | 1.09Å | 1.10Å | |
| C4A | H4A3 | sing | 1.10Å | 1.10Å | |
| O3A | C1B | sing | 1.37Å | 1.36Å | |
| C1B | O1B | doub | 1.22Å | 1.23Å | |
| C1B | C2B | sing | 1.51Å | 1.53Å | |
| C2B | C3B | sing | 1.53Å | 1.53Å | |
| C2B | H2B1 | sing | 1.10Å | 1.10Å | |
| C2B | H2B2 | sing | 1.10Å | 1.10Å | |
| C3B | C4B | sing | 1.52Å | 1.53Å | |
| C3B | O3B | sing | 1.43Å | 1.44Å | |
| C3B | H3B | sing | 1.10Å | 1.10Å | |
| C4B | H4B1 | sing | 1.09Å | 1.10Å | |
| C4B | H4B2 | sing | 1.09Å | 1.10Å | |
| C4B | H4B3 | sing | 1.09Å | 1.10Å | |
| O3B | C1C | sing | 1.37Å | 1.36Å | |
| C1C | O1C | doub | 1.22Å | 1.23Å | |
| C1C | C2C | sing | 1.51Å | 1.53Å | |
| C2C | C3C | sing | 1.53Å | 1.53Å | |
| C2C | H2C1 | sing | 1.10Å | 1.10Å | |
| C2C | H2C2 | sing | 1.10Å | 1.10Å | |
| C3C | C4C | sing | 1.52Å | 1.53Å | |
| C3C | O3C | sing | 1.43Å | 1.43Å | |
| C3C | H1 | sing | 1.10Å | 1.10Å | |
| C4C | H4C1 | sing | 1.09Å | 1.10Å | |
| C4C | H4C2 | sing | 1.09Å | 1.10Å | |
| C4C | H4C3 | sing | 1.10Å | 1.10Å | |
| O3C | H3C | sing | 0.97Å | 0.95Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1A | O1M | C1 | 73.9° | 115.5° |
| O1M | C1A | O1A | 125.9° | 125.8° |
| O1M | C1A | C2A | 117.0° | 108.8° |
| O1M | C1 | H11 | 127.5° | 109.5° |
| O1M | C1 | H12 | 73.9° | 109.5° |
| O1M | C1 | H13 | 127.5° | 109.0° |
| O1A | C1A | C2A | 117.2° | 125.4° |
| C1A | C2A | C3A | 111.4° | 112.4° |
| C1A | C2A | H2A1 | 108.4° | 107.6° |
| C1A | C2A | H2A2 | 108.9° | 107.4° |
| C3A | C2A | H2A1 | 108.4° | 110.0° |
| C3A | C2A | H2A2 | 108.8° | 109.8° |
| C2A | C3A | C4A | 108.6° | 111.2° |
| C2A | C3A | O3A | 109.2° | 108.6° |
| C2A | C3A | H3A | 110.3° | 110.7° |
| H2A1 | C2A | H2A2 | 110.9° | 109.6° |
| C4A | C3A | O3A | 109.5° | 108.6° |
| C4A | C3A | H3A | 110.0° | 109.6° |
| C3A | C4A | H4A1 | 109.4° | 110.9° |
| C3A | C4A | H4A2 | 109.4° | 111.3° |
| C3A | C4A | H4A3 | 109.5° | 110.5° |
| O3A | C3A | H3A | 109.3° | 108.0° |
| C3A | O3A | C1B | 112.5° | 115.7° |
| H4A1 | C4A | H4A2 | 109.5° | 108.8° |
| H4A1 | C4A | H4A3 | 109.4° | 106.7° |
| H4A2 | C4A | H4A3 | 109.5° | 108.5° |
| O3A | C1B | O1B | 120.8° | 125.7° |
| O3A | C1B | C2B | 118.3° | 109.0° |
| O1B | C1B | C2B | 121.0° | 125.4° |
| C1B | C2B | C3B | 113.4° | 112.4° |
| C1B | C2B | H2B1 | 107.3° | 107.6° |
| C1B | C2B | H2B2 | 108.2° | 107.3° |
| C3B | C2B | H2B1 | 107.3° | 110.0° |
| C3B | C2B | H2B2 | 108.2° | 109.8° |
| C2B | C3B | C4B | 111.4° | 111.1° |
| C2B | C3B | O3B | 108.9° | 108.6° |
| C2B | C3B | H3B | 108.2° | 110.7° |
| H2B1 | C2B | H2B2 | 112.5° | 109.6° |
| C4B | C3B | O3B | 108.4° | 108.6° |
| C4B | C3B | H3B | 108.7° | 109.7° |
| C3B | C4B | H4B1 | 109.5° | 111.0° |
| C3B | C4B | H4B2 | 109.4° | 111.3° |
| C3B | C4B | H4B3 | 109.5° | 110.4° |
| O3B | C3B | H3B | 111.2° | 108.1° |
| C3B | O3B | C1C | 112.5° | 115.7° |
| H4B1 | C4B | H4B2 | 109.5° | 108.8° |
| H4B1 | C4B | H4B3 | 109.4° | 106.7° |
| H4B2 | C4B | H4B3 | 109.5° | 108.5° |
| O3B | C1C | O1C | 120.4° | 125.6° |
| O3B | C1C | C2C | 119.1° | 109.0° |
| O1C | C1C | C2C | 120.5° | 125.4° |
| C1C | C2C | C3C | 111.1° | 112.4° |
| C1C | C2C | H2C1 | 108.6° | 107.6° |
| C1C | C2C | H2C2 | 109.0° | 107.3° |
| C3C | C2C | H2C1 | 108.6° | 110.0° |
| C3C | C2C | H2C2 | 109.0° | 109.8° |
| C2C | C3C | C4C | 110.6° | 111.1° |
| C2C | C3C | O3C | 109.6° | 108.6° |
| C2C | C3C | H1 | 109.0° | 110.8° |
| H2C1 | C2C | H2C2 | 110.7° | 109.6° |
| C4C | C3C | O3C | 110.4° | 108.6° |
| C4C | C3C | H1 | 108.1° | 109.7° |
| C3C | C4C | H4C1 | 109.5° | 111.0° |
| C3C | C4C | H4C2 | 109.5° | 111.3° |
| C3C | C4C | H4C3 | 109.5° | 110.4° |
| O3C | C3C | H1 | 109.2° | 108.0° |
| C3C | O3C | H3C | 109.5° | 106.5° |
| H4C1 | C4C | H4C2 | 109.5° | 108.8° |
| H4C1 | C4C | H4C3 | 109.5° | 106.7° |
| H4C2 | C4C | H4C3 | 109.4° | 108.4° |
| H11 | C1 | H12 | 127.5° | 110.0° |
| H11 | C1 | H13 | 80.7° | 109.4° |
| H12 | C1 | H13 | 127.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1M | C1A | O1A | C2A | 180.0° | 179.8° |
| O1M | C1A | C2A | C3A | 123.1° | 151.4° |
| O1M | C1A | C2A | H2A1 | 3.9° | 30.2° |
| O1M | C1A | C2A | H2A2 | 116.9° | 87.7° |
| C1A | O1M | C1 | H11 | 54.7° | 175.2° |
| C1A | O1M | C1 | H12 | 180.0° | 54.5° |
| C1A | O1M | C1 | H13 | 54.8° | 65.2° |
| C1 | O1M | C1A | O1A | 171.8° | 0.0° |
| C1 | O1M | C1A | C2A | 8.2° | 179.8° |
| O1M | C1 | H11 | H12 | 98.5° | 120.4° |
| O1M | C1 | H11 | H13 | 130.8° | 119.4° |
| O1M | C1 | H12 | H13 | 125.3° | 119.4° |
| O1A | C1A | C2A | C3A | 56.9° | 28.7° |
| O1A | C1A | C2A | H2A1 | 176.1° | 150.0° |
| O1A | C1A | C2A | H2A2 | 63.1° | 92.1° |
| C1A | C2A | C3A | H2A1 | 119.2° | 119.9° |
| C1A | C2A | C3A | H2A2 | 120.0° | 119.4° |
| C1A | C2A | H2A1 | H2A2 | 119.5° | 116.4° |
| C1A | C2A | C3A | C4A | 179.1° | 57.9° |
| C1A | C2A | C3A | O3A | 59.7° | 61.6° |
| C1A | C2A | C3A | H3A | 60.4° | 180.0° |
| C3A | C2A | H2A1 | H2A2 | 119.4° | 120.8° |
| C2A | C3A | C4A | O3A | 119.1° | 119.5° |
| C2A | C3A | C4A | H3A | 120.7° | 122.7° |
| C2A | C3A | O3A | H3A | 120.7° | 120.1° |
| C2A | C3A | C4A | H4A1 | 0.3° | 60.4° |
| C2A | C3A | C4A | H4A2 | 120.3° | 60.8° |
| C2A | C3A | C4A | H4A3 | 119.7° | 178.6° |
| C2A | C3A | O3A | C1B | 142.6° | 60.1° |
| H2A1 | C2A | C3A | C4A | 59.8° | 62.0° |
| H2A1 | C2A | C3A | O3A | 59.5° | 178.6° |
| H2A1 | C2A | C3A | H3A | 179.6° | 60.1° |
| H2A2 | C2A | C3A | C4A | 60.9° | 177.3° |
| H2A2 | C2A | C3A | O3A | 179.8° | 57.9° |
| H2A2 | C2A | C3A | H3A | 59.6° | 60.6° |
| C4A | C3A | O3A | H3A | 120.5° | 118.8° |
| C3A | C4A | H4A1 | H4A2 | 120.0° | 122.8° |
| C3A | C4A | H4A1 | H4A3 | 120.0° | 120.4° |
| C3A | C4A | H4A2 | H4A3 | 120.0° | 121.8° |
| C4A | C3A | O3A | C1B | 98.6° | 178.8° |
| O3A | C3A | C4A | H4A1 | 119.4° | 59.0° |
| O3A | C3A | C4A | H4A2 | 120.6° | 179.7° |
| O3A | C3A | C4A | H4A3 | 0.5° | 59.1° |
| C3A | O3A | C1B | O1B | 23.4° | 30.0° |
| C3A | O3A | C1B | C2B | 156.5° | 150.1° |
| H3A | C3A | C4A | H4A1 | 120.4° | 176.8° |
| H3A | C3A | C4A | H4A2 | 0.4° | 61.9° |
| H3A | C3A | C4A | H4A3 | 119.6° | 58.7° |
| H3A | C3A | O3A | C1B | 21.9° | 60.0° |
| H4A1 | C4A | H4A2 | H4A3 | 120.0° | 115.7° |
| O3A | C1B | O1B | C2B | 179.9° | 179.9° |
| O3A | C1B | C2B | C3B | 164.3° | 151.4° |
| O3A | C1B | C2B | H2B1 | 77.4° | 30.1° |
| O3A | C1B | C2B | H2B2 | 44.3° | 87.8° |
| O1B | C1B | C2B | C3B | 15.8° | 28.7° |
| O1B | C1B | C2B | H2B1 | 102.5° | 150.0° |
| O1B | C1B | C2B | H2B2 | 135.8° | 92.1° |
| C1B | C2B | C3B | H2B1 | 118.3° | 119.9° |
| C1B | C2B | C3B | H2B2 | 120.0° | 119.4° |
| C1B | C2B | H2B1 | H2B2 | 118.9° | 116.4° |
| C1B | C2B | C3B | C4B | 63.6° | 177.8° |
| C1B | C2B | C3B | O3B | 176.9° | 58.5° |
| C1B | C2B | C3B | H3B | 55.9° | 60.0° |
| C3B | C2B | H2B1 | H2B2 | 118.9° | 120.8° |
| C2B | C3B | C4B | O3B | 119.8° | 119.4° |
| C2B | C3B | C4B | H3B | 119.1° | 122.7° |
| C2B | C3B | O3B | H3B | 119.2° | 120.2° |
| C2B | C3B | C4B | H4B1 | 11.9° | 60.4° |
| C2B | C3B | C4B | H4B2 | 108.2° | 60.9° |
| C2B | C3B | C4B | H4B3 | 131.8° | 178.5° |
| C2B | C3B | O3B | C1C | 85.3° | 179.9° |
| H2B1 | C2B | C3B | C4B | 178.1° | 58.0° |
| H2B1 | C2B | C3B | O3B | 58.6° | 61.4° |
| H2B1 | C2B | C3B | H3B | 62.4° | 179.9° |
| H2B2 | C2B | C3B | C4B | 56.4° | 62.8° |
| H2B2 | C2B | C3B | O3B | 63.1° | 177.9° |
| H2B2 | C2B | C3B | H3B | 175.9° | 59.4° |
| C4B | C3B | O3B | H3B | 119.5° | 118.9° |
| C3B | C4B | H4B1 | H4B2 | 120.0° | 122.8° |
| C3B | C4B | H4B1 | H4B3 | 120.0° | 120.4° |
| C3B | C4B | H4B2 | H4B3 | 120.0° | 121.7° |
| C4B | C3B | O3B | C1C | 153.3° | 58.9° |
| O3B | C3B | C4B | H4B1 | 107.9° | 59.0° |
| O3B | C3B | C4B | H4B2 | 132.0° | 179.7° |
| O3B | C3B | C4B | H4B3 | 12.0° | 59.2° |
| C3B | O3B | C1C | O1C | 34.7° | 0.1° |
| C3B | O3B | C1C | C2C | 146.0° | 179.9° |
| H3B | C3B | C4B | H4B1 | 131.0° | 176.9° |
| H3B | C3B | C4B | H4B2 | 11.0° | 61.8° |
| H3B | C3B | C4B | H4B3 | 109.0° | 58.8° |
| H3B | C3B | O3B | C1C | 33.8° | 60.0° |
| H4B1 | C4B | H4B2 | H4B3 | 120.0° | 115.7° |
| O3B | C1C | O1C | C2C | 179.3° | 179.8° |
| O3B | C1C | C2C | C3C | 119.6° | 58.6° |
| O3B | C1C | C2C | H2C1 | 0.3° | 179.9° |
| O3B | C1C | C2C | H2C2 | 120.3° | 62.3° |
| O1C | C1C | C2C | C3C | 59.7° | 121.3° |
| O1C | C1C | C2C | H2C1 | 179.1° | 0.0° |
| O1C | C1C | C2C | H2C2 | 60.3° | 117.9° |
| C1C | C2C | C3C | H2C1 | 119.3° | 119.9° |
| C1C | C2C | C3C | H2C2 | 120.0° | 119.4° |
| C1C | C2C | H2C1 | H2C2 | 119.6° | 116.4° |
| C1C | C2C | C3C | C4C | 178.8° | 177.9° |
| C1C | C2C | C3C | O3C | 56.9° | 58.5° |
| C1C | C2C | C3C | H1 | 62.5° | 60.0° |
| C3C | C2C | H2C1 | H2C2 | 119.6° | 120.8° |
| C2C | C3C | C4C | O3C | 121.4° | 119.4° |
| C2C | C3C | C4C | H1 | 119.2° | 122.8° |
| C2C | C3C | O3C | H1 | 119.3° | 120.2° |
| C2C | C3C | C4C | H4C1 | 52.3° | 60.4° |
| C2C | C3C | C4C | H4C2 | 67.8° | 60.9° |
| C2C | C3C | C4C | H4C3 | 172.3° | 178.6° |
| C2C | C3C | O3C | H3C | 115.0° | 121.8° |
| H2C1 | C2C | C3C | C4C | 59.4° | 57.9° |
| H2C1 | C2C | C3C | O3C | 62.5° | 61.4° |
| H2C1 | C2C | C3C | H1 | 178.2° | 179.9° |
| H2C2 | C2C | C3C | C4C | 61.2° | 62.8° |
| H2C2 | C2C | C3C | O3C | 176.9° | 177.9° |
| H2C2 | C2C | C3C | H1 | 57.5° | 59.4° |
| C4C | C3C | O3C | H1 | 118.7° | 118.9° |
| C3C | C4C | H4C1 | H4C2 | 120.0° | 122.8° |
| C3C | C4C | H4C1 | H4C3 | 120.0° | 120.4° |
| C3C | C4C | H4C2 | H4C3 | 120.0° | 121.7° |
| C4C | C3C | O3C | H3C | 7.0° | 0.8° |
| O3C | C3C | C4C | H4C1 | 69.1° | 58.9° |
| O3C | C3C | C4C | H4C2 | 170.8° | 179.7° |
| O3C | C3C | C4C | H4C3 | 50.9° | 59.2° |
| H1 | C3C | C4C | H4C1 | 171.5° | 176.8° |
| H1 | C3C | C4C | H4C2 | 51.5° | 61.9° |
| H1 | C3C | C4C | H4C3 | 68.5° | 58.7° |
| H1 | C3C | O3C | H3C | 125.7° | 118.0° |
| H4C1 | C4C | H4C2 | H4C3 | 120.0° | 115.7° |
| H11 | C1 | H12 | H13 | 109.5° | 120.2° |
