B6X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAF | sing | 1.53Å | 1.56Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAG | CAH | sing | 1.53Å | 1.52Å | |
| CAH | CAI | sing | 1.53Å | 1.54Å | |
| CAI | CAJ | sing | 1.53Å | 1.52Å | |
| CAJ | CAP | sing | 1.53Å | 1.53Å | |
| OAE | CAO | doub | 1.21Å | 1.26Å | |
| OAC | CAO | sing | 1.34Å | 1.25Å | |
| CAO | CAL | sing | 1.51Å | 1.54Å | |
| CAP | SAM | sing | 1.81Å | 1.81Å | |
| CAP | CAL | sing | 1.53Å | 1.54Å | |
| SAM | CAK | sing | 1.81Å | 1.83Å | |
| CAK | CAN | sing | 1.51Å | 1.51Å | |
| OAB | CAN | doub | 1.21Å | 1.25Å | |
| CAN | OAD | sing | 1.34Å | 1.25Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAP | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| OAC | H7 | sing | 0.97Å | 0.95Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAH | H13 | sing | 1.09Å | 1.10Å | |
| CAG | H14 | sing | 1.09Å | 1.10Å | |
| CAG | H15 | sing | 1.09Å | 1.10Å | |
| CAF | H16 | sing | 1.09Å | 1.10Å | |
| CAF | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAA | H19 | sing | 1.09Å | 1.10Å | |
| CAA | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAF | CAG | 109.5° | 109.5° |
| CAA | CAF | H16 | 109.5° | 109.5° |
| CAA | CAF | H17 | 109.5° | 109.5° |
| CAF | CAA | H18 | 109.5° | 109.5° |
| CAF | CAA | H19 | 109.5° | 109.5° |
| CAF | CAA | H20 | 109.5° | 109.5° |
| CAF | CAG | CAH | 107.6° | 109.5° |
| CAF | CAG | H14 | 110.0° | 109.5° |
| CAF | CAG | H15 | 109.9° | 109.4° |
| CAG | CAF | H16 | 109.5° | 109.5° |
| CAG | CAF | H17 | 109.5° | 109.4° |
| CAG | CAH | CAI | 111.5° | 109.5° |
| CAG | CAH | H12 | 109.0° | 109.5° |
| CAG | CAH | H13 | 109.0° | 109.5° |
| CAH | CAG | H14 | 109.9° | 109.5° |
| CAH | CAG | H15 | 110.0° | 109.4° |
| CAH | CAI | CAJ | 109.2° | 109.5° |
| CAH | CAI | H10 | 109.6° | 109.5° |
| CAH | CAI | H11 | 109.6° | 109.5° |
| CAI | CAH | H12 | 109.0° | 109.5° |
| CAI | CAH | H13 | 108.9° | 109.5° |
| CAI | CAJ | CAP | 111.6° | 109.5° |
| CAI | CAJ | H8 | 108.9° | 109.4° |
| CAI | CAJ | H9 | 109.0° | 109.5° |
| CAJ | CAI | H10 | 109.5° | 109.4° |
| CAJ | CAI | H11 | 109.5° | 109.5° |
| CAJ | CAP | SAM | 118.2° | 109.5° |
| CAJ | CAP | CAL | 108.2° | 109.5° |
| CAJ | CAP | H4 | 107.4° | 109.4° |
| CAP | CAJ | H8 | 108.9° | 109.5° |
| CAP | CAJ | H9 | 108.9° | 109.5° |
| OAE | CAO | OAC | 125.1° | 120.0° |
| OAE | CAO | CAL | 119.3° | 120.0° |
| OAC | CAO | CAL | 115.4° | 120.0° |
| CAO | OAC | H7 | 109.5° | 117.0° |
| CAO | CAL | CAP | 112.0° | 109.5° |
| CAO | CAL | H5 | 108.8° | 109.5° |
| CAO | CAL | H6 | 108.8° | 109.5° |
| SAM | CAP | CAL | 110.5° | 109.5° |
| CAP | SAM | CAK | 102.1° | 103.0° |
| SAM | CAP | H4 | 104.6° | 109.5° |
| CAL | CAP | H4 | 107.4° | 109.5° |
| CAP | CAL | H5 | 108.8° | 109.5° |
| CAP | CAL | H6 | 108.9° | 109.5° |
| SAM | CAK | CAN | 104.0° | 109.5° |
| SAM | CAK | H2 | 110.8° | 109.5° |
| SAM | CAK | H3 | 110.8° | 109.5° |
| CAK | CAN | OAB | 117.1° | 120.0° |
| CAK | CAN | OAD | 117.6° | 120.0° |
| CAN | CAK | H2 | 110.8° | 109.4° |
| CAN | CAK | H3 | 110.8° | 109.5° |
| OAB | CAN | OAD | 125.2° | 120.0° |
| CAN | OAD | H1 | 109.5° | 117.0° |
| H2 | CAK | H3 | 109.5° | 109.5° |
| H5 | CAL | H6 | 109.5° | 109.4° |
| H8 | CAJ | H9 | 109.5° | 109.4° |
| H10 | CAI | H11 | 109.5° | 109.5° |
| H12 | CAH | H13 | 109.5° | 109.5° |
| H14 | CAG | H15 | 109.5° | 109.5° |
| H16 | CAF | H17 | 109.5° | 109.5° |
| H18 | CAA | H19 | 109.5° | 109.5° |
| H18 | CAA | H20 | 109.5° | 109.4° |
| H19 | CAA | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAF | CAG | H16 | 120.0° | 120.0° |
| CAA | CAF | CAG | H17 | 120.0° | 120.0° |
| CAA | CAF | CAG | CAH | 178.7° | 180.0° |
| CAA | CAF | CAG | H14 | 61.6° | 60.0° |
| CAA | CAF | CAG | H15 | 59.0° | 60.0° |
| CAA | CAF | H16 | H17 | 120.0° | 120.0° |
| CAF | CAA | H18 | H19 | 120.0° | 120.0° |
| CAF | CAA | H18 | H20 | 120.0° | 120.0° |
| CAF | CAA | H19 | H20 | 120.0° | 120.0° |
| CAF | CAG | CAH | H14 | 119.7° | 120.0° |
| CAF | CAG | CAH | H15 | 119.7° | 119.9° |
| CAF | CAG | CAH | CAI | 91.3° | 180.0° |
| CAF | CAG | CAH | H12 | 148.4° | 60.0° |
| CAF | CAG | CAH | H13 | 29.0° | 60.0° |
| CAF | CAG | H14 | H15 | 120.9° | 120.0° |
| CAG | CAF | H16 | H17 | 120.0° | 120.0° |
| CAG | CAF | CAA | H18 | 180.0° | 60.0° |
| CAG | CAF | CAA | H19 | 60.0° | 60.0° |
| CAG | CAF | CAA | H20 | 60.0° | 180.0° |
| CAG | CAH | CAI | H12 | 120.3° | 120.0° |
| CAG | CAH | CAI | H13 | 120.3° | 120.0° |
| CAG | CAH | CAI | CAJ | 68.4° | 180.0° |
| CAG | CAH | CAI | H10 | 171.7° | 60.0° |
| CAG | CAH | CAI | H11 | 51.6° | 60.0° |
| CAG | CAH | H12 | H13 | 119.1° | 120.0° |
| CAH | CAG | H14 | H15 | 120.9° | 120.0° |
| CAH | CAG | CAF | H16 | 58.7° | 60.0° |
| CAH | CAG | CAF | H17 | 61.3° | 60.0° |
| CAH | CAI | CAJ | H10 | 120.0° | 120.0° |
| CAH | CAI | CAJ | H11 | 120.0° | 120.0° |
| CAH | CAI | CAJ | CAP | 147.5° | 180.0° |
| CAH | CAI | CAJ | H8 | 92.1° | 60.0° |
| CAH | CAI | CAJ | H9 | 27.3° | 59.9° |
| CAH | CAI | H10 | H11 | 120.1° | 120.0° |
| CAI | CAH | H12 | H13 | 119.0° | 120.0° |
| CAI | CAH | CAG | H14 | 28.4° | 60.0° |
| CAI | CAH | CAG | H15 | 149.1° | 60.1° |
| CAI | CAJ | CAP | H8 | 120.3° | 120.0° |
| CAI | CAJ | CAP | H9 | 120.3° | 120.0° |
| CAI | CAJ | CAP | SAM | 11.1° | 65.0° |
| CAI | CAJ | CAP | CAL | 137.5° | 175.0° |
| CAI | CAJ | CAP | H4 | 106.9° | 55.0° |
| CAI | CAJ | H8 | H9 | 119.1° | 119.9° |
| CAJ | CAI | H10 | H11 | 120.1° | 120.0° |
| CAJ | CAI | CAH | H12 | 52.0° | 60.0° |
| CAJ | CAI | CAH | H13 | 171.3° | 60.0° |
| CAJ | CAP | CAL | CAO | 67.4° | 174.2° |
| CAJ | CAP | SAM | CAL | 125.3° | 120.0° |
| CAJ | CAP | SAM | H4 | 119.4° | 120.0° |
| CAJ | CAP | CAL | H4 | 115.6° | 120.0° |
| CAJ | CAP | SAM | CAK | 97.1° | 63.0° |
| CAJ | CAP | CAL | H5 | 172.2° | 65.8° |
| CAJ | CAP | CAL | H6 | 53.0° | 54.2° |
| CAP | CAJ | H8 | H9 | 119.0° | 120.0° |
| CAP | CAJ | CAI | H10 | 27.6° | 60.0° |
| CAP | CAJ | CAI | H11 | 92.5° | 60.0° |
| OAE | CAO | OAC | CAL | 174.8° | 180.0° |
| OAE | CAO | CAL | CAP | 31.8° | 6.4° |
| OAE | CAO | CAL | H5 | 88.6° | 126.4° |
| OAE | CAO | CAL | H6 | 152.2° | 113.6° |
| OAE | CAO | OAC | H7 | 0.0° | 0.0° |
| OAC | CAO | CAL | CAP | 153.1° | 173.6° |
| OAC | CAO | CAL | H5 | 86.5° | 53.6° |
| OAC | CAO | CAL | H6 | 32.7° | 66.4° |
| CAO | CAL | CAP | SAM | 63.4° | 65.7° |
| CAO | CAL | CAP | H5 | 120.4° | 120.0° |
| CAO | CAL | CAP | H6 | 120.4° | 120.0° |
| CAO | CAL | CAP | H4 | 176.9° | 54.2° |
| CAO | CAL | H5 | H6 | 118.8° | 120.0° |
| CAL | CAO | OAC | H7 | 174.8° | 180.0° |
| SAM | CAP | CAL | H4 | 113.6° | 120.0° |
| CAP | SAM | CAK | CAN | 155.7° | 176.2° |
| CAP | SAM | CAK | H2 | 36.6° | 56.2° |
| CAP | SAM | CAK | H3 | 85.1° | 63.8° |
| SAM | CAP | CAL | H5 | 57.0° | 54.3° |
| SAM | CAP | CAL | H6 | 176.3° | 174.2° |
| SAM | CAP | CAJ | H8 | 109.3° | 175.0° |
| SAM | CAP | CAJ | H9 | 131.4° | 55.1° |
| CAL | CAP | SAM | CAK | 137.6° | 57.1° |
| CAP | CAL | H5 | H6 | 118.9° | 120.0° |
| CAL | CAP | CAJ | H8 | 17.2° | 55.0° |
| CAL | CAP | CAJ | H9 | 102.2° | 65.0° |
| SAM | CAK | CAN | H2 | 119.2° | 120.0° |
| SAM | CAK | CAN | H3 | 119.1° | 120.0° |
| SAM | CAK | CAN | OAB | 95.9° | 0.0° |
| SAM | CAK | CAN | OAD | 87.2° | 179.7° |
| SAM | CAK | H2 | H3 | 122.5° | 120.1° |
| CAK | SAM | CAP | H4 | 22.3° | 177.0° |
| CAK | CAN | OAB | OAD | 176.7° | 179.7° |
| CAK | CAN | OAD | H1 | 176.7° | 179.8° |
| CAN | CAK | H2 | H3 | 122.5° | 119.9° |
| OAB | CAN | OAD | H1 | 0.0° | 0.1° |
| OAB | CAN | CAK | H2 | 145.0° | 120.0° |
| OAB | CAN | CAK | H3 | 23.3° | 120.0° |
| OAD | CAN | CAK | H2 | 32.0° | 60.3° |
| OAD | CAN | CAK | H3 | 153.7° | 59.7° |
| H4 | CAP | CAL | H5 | 56.6° | 174.2° |
| H4 | CAP | CAL | H6 | 62.7° | 65.8° |
| H4 | CAP | CAJ | H8 | 132.8° | 65.0° |
| H4 | CAP | CAJ | H9 | 13.5° | 175.0° |
| H8 | CAJ | CAI | H10 | 147.9° | 180.0° |
| H8 | CAJ | CAI | H11 | 27.8° | 60.0° |
| H9 | CAJ | CAI | H10 | 92.7° | 60.1° |
| H9 | CAJ | CAI | H11 | 147.2° | 179.9° |
| H10 | CAI | CAH | H12 | 68.0° | 180.0° |
| H10 | CAI | CAH | H13 | 51.4° | 60.0° |
| H11 | CAI | CAH | H12 | 171.9° | 60.0° |
| H11 | CAI | CAH | H13 | 68.7° | 180.0° |
| H12 | CAH | CAG | H14 | 91.9° | 180.0° |
| H12 | CAH | CAG | H15 | 28.7° | 59.9° |
| H13 | CAH | CAG | H14 | 148.7° | 60.0° |
| H13 | CAH | CAG | H15 | 90.7° | 180.0° |
| H14 | CAG | CAF | H16 | 178.4° | 180.0° |
| H14 | CAG | CAF | H17 | 58.4° | 60.0° |
| H15 | CAG | CAF | H16 | 61.0° | 60.0° |
| H15 | CAG | CAF | H17 | 179.0° | 180.0° |
| H16 | CAF | CAA | H18 | 60.0° | NaN° |
| H16 | CAF | CAA | H19 | 60.0° | 60.0° |
| H16 | CAF | CAA | H20 | 180.0° | 60.0° |
| H17 | CAF | CAA | H18 | 60.0° | 60.0° |
| H17 | CAF | CAA | H19 | 180.0° | NaN° |
| H17 | CAF | CAA | H20 | 60.0° | 60.0° |
| H18 | CAA | H19 | H20 | 120.0° | 120.0° |
