BC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAC | CAA | trip | 1.17Å | 1.23Å | |
| CAC | CAD | sing | 1.47Å | 1.53Å | |
| CAD | CAE | sing | 1.53Å | 1.58Å | |
| CAE | CAF | sing | 1.53Å | 1.55Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAG | CAM | sing | 1.53Å | 1.53Å | |
| CAM | CAO | sing | 1.54Å | 1.53Å | |
| CAM | SAK | sing | 1.84Å | 1.81Å | |
| CAO | NAJ | sing | 1.47Å | 1.47Å | |
| CAO | CAN | sing | 1.53Å | 1.54Å | |
| NAJ | CAL | sing | 1.34Å | 1.33Å | |
| SAK | CAH | sing | 1.84Å | 1.78Å | |
| CAN | CAH | sing | 1.54Å | 1.52Å | |
| CAN | NAI | sing | 1.47Å | 1.44Å | |
| CAL | NAI | sing | 1.34Å | 1.33Å | |
| CAL | OAB | doub | 1.22Å | 1.24Å | |
| CAA | H1 | sing | 1.05Å | 1.06Å | |
| CAD | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.09Å | 1.10Å | |
| CAE | H5 | sing | 1.09Å | 1.10Å | |
| CAF | H6 | sing | 1.09Å | 1.10Å | |
| CAF | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAG | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAH | H11 | sing | 1.09Å | 1.10Å | |
| CAH | H12 | sing | 1.09Å | 1.10Å | |
| CAN | H13 | sing | 1.09Å | 1.10Å | |
| CAO | H14 | sing | 1.09Å | 1.10Å | |
| NAJ | H15 | sing | 0.97Å | 1.00Å | |
| NAI | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAC | CAD | 175.7° | 179.9° |
| CAC | CAA | H1 | 180.0° | 179.9° |
| CAC | CAD | CAE | 114.1° | 109.4° |
| CAC | CAD | H2 | 108.3° | 109.5° |
| CAC | CAD | H3 | 108.3° | 109.5° |
| CAD | CAE | CAF | 117.2° | 109.5° |
| CAE | CAD | H2 | 108.3° | 109.5° |
| CAE | CAD | H3 | 108.3° | 109.5° |
| CAD | CAE | H4 | 107.5° | 109.5° |
| CAD | CAE | H5 | 107.5° | 109.5° |
| CAE | CAF | CAG | 115.8° | 109.5° |
| CAF | CAE | H4 | 107.5° | 109.5° |
| CAF | CAE | H5 | 107.5° | 109.5° |
| CAE | CAF | H6 | 107.9° | 109.5° |
| CAE | CAF | H7 | 107.9° | 109.4° |
| CAF | CAG | CAM | 110.4° | 109.4° |
| CAG | CAF | H6 | 107.8° | 109.5° |
| CAG | CAF | H7 | 107.9° | 109.5° |
| CAF | CAG | H8 | 109.2° | 109.5° |
| CAF | CAG | H9 | 109.2° | 109.5° |
| CAG | CAM | CAO | 109.1° | 110.7° |
| CAG | CAM | SAK | 109.0° | 110.7° |
| CAM | CAG | H8 | 109.3° | 109.4° |
| CAM | CAG | H9 | 109.2° | 109.5° |
| CAG | CAM | H10 | 113.8° | 110.7° |
| CAO | CAM | SAK | 100.2° | 102.7° |
| CAM | CAO | NAJ | 110.3° | 109.2° |
| CAM | CAO | CAN | 111.2° | 112.4° |
| CAO | CAM | H10 | 114.0° | 110.8° |
| CAM | CAO | H14 | 110.2° | 110.2° |
| CAM | SAK | CAH | 94.6° | 94.8° |
| SAK | CAM | H10 | 109.9° | 110.9° |
| NAJ | CAO | CAN | 104.0° | 104.1° |
| CAO | NAJ | CAL | 109.1° | 109.0° |
| NAJ | CAO | H14 | 111.0° | 110.3° |
| CAO | NAJ | H15 | 125.4° | 125.5° |
| CAO | CAN | CAH | 111.1° | 112.4° |
| CAO | CAN | NAI | 102.8° | 104.0° |
| CAO | CAN | H13 | 111.4° | 110.5° |
| CAN | CAO | H14 | 110.0° | 110.5° |
| NAJ | CAL | NAI | 112.7° | 113.9° |
| NAJ | CAL | OAB | 124.7° | 123.0° |
| CAL | NAJ | H15 | 125.4° | 125.5° |
| SAK | CAH | CAN | 102.1° | 102.7° |
| SAK | CAH | H11 | 111.3° | 110.8° |
| SAK | CAH | H12 | 111.3° | 110.8° |
| CAH | CAN | NAI | 106.5° | 109.2° |
| CAN | CAH | H11 | 111.3° | 110.7° |
| CAN | CAH | H12 | 111.3° | 110.9° |
| CAH | CAN | H13 | 111.7° | 110.3° |
| CAN | NAI | CAL | 111.3° | 109.1° |
| NAI | CAN | H13 | 112.9° | 110.3° |
| CAN | NAI | H16 | 124.4° | 125.5° |
| NAI | CAL | OAB | 122.4° | 123.1° |
| CAL | NAI | H16 | 124.4° | 125.4° |
| H2 | CAD | H3 | 109.4° | 109.5° |
| H4 | CAE | H5 | 109.5° | 109.4° |
| H6 | CAF | H7 | 109.5° | 109.5° |
| H8 | CAG | H9 | 109.5° | 109.5° |
| H11 | CAH | H12 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAC | CAD | CAE | 90.5° | 163.4° |
| CAA | CAC | CAD | H2 | 30.2° | 43.4° |
| CAA | CAC | CAD | H3 | 148.8° | 76.6° |
| CAC | CAD | CAE | H2 | 120.7° | 120.0° |
| CAC | CAD | CAE | H3 | 120.7° | 120.0° |
| CAC | CAD | CAE | CAF | 148.0° | 180.0° |
| CAD | CAC | CAA | H1 | 107.5° | 162.7° |
| CAC | CAD | H2 | H3 | 117.9° | 120.0° |
| CAC | CAD | CAE | H4 | 90.9° | 60.0° |
| CAC | CAD | CAE | H5 | 26.8° | 60.0° |
| CAD | CAE | CAF | H4 | 121.1° | 120.0° |
| CAD | CAE | CAF | H5 | 121.1° | 120.0° |
| CAD | CAE | CAF | CAG | 94.4° | 180.0° |
| CAE | CAD | H2 | H3 | 117.9° | 120.0° |
| CAD | CAE | H4 | H5 | 116.5° | 120.0° |
| CAD | CAE | CAF | H6 | 26.5° | 60.0° |
| CAD | CAE | CAF | H7 | 144.7° | 60.0° |
| CAE | CAF | CAG | H6 | 120.9° | 120.0° |
| CAE | CAF | CAG | H7 | 120.9° | 120.0° |
| CAE | CAF | CAG | CAM | 162.5° | 180.0° |
| CAF | CAE | CAD | H2 | 27.3° | 60.0° |
| CAF | CAE | CAD | H3 | 91.4° | 60.0° |
| CAF | CAE | H4 | H5 | 116.5° | 120.0° |
| CAE | CAF | H6 | H7 | 117.1° | 119.9° |
| CAE | CAF | CAG | H8 | 42.3° | 60.1° |
| CAE | CAF | CAG | H9 | 77.4° | 60.0° |
| CAF | CAG | CAM | H8 | 120.1° | 120.0° |
| CAF | CAG | CAM | H9 | 120.1° | 120.0° |
| CAF | CAG | CAM | CAO | 111.2° | 175.1° |
| CAF | CAG | CAM | SAK | 140.3° | 71.7° |
| CAG | CAF | CAE | H4 | 144.5° | 60.0° |
| CAG | CAF | CAE | H5 | 26.7° | 60.0° |
| CAG | CAF | H6 | H7 | 117.1° | 120.1° |
| CAF | CAG | H8 | H9 | 119.6° | 120.0° |
| CAF | CAG | CAM | H10 | 17.2° | 51.7° |
| CAG | CAM | CAO | SAK | 114.3° | 118.2° |
| CAG | CAM | CAO | H10 | 128.4° | 123.2° |
| CAG | CAM | SAK | H10 | 125.4° | 123.3° |
| CAG | CAM | CAO | NAJ | 30.2° | 28.0° |
| CAG | CAM | CAO | CAN | 145.0° | 143.0° |
| CAG | CAM | SAK | CAH | 155.9° | 153.0° |
| CAM | CAG | CAF | H6 | 76.6° | 60.0° |
| CAM | CAG | CAF | H7 | 41.6° | 60.0° |
| CAM | CAG | H8 | H9 | 119.6° | 120.0° |
| CAG | CAM | CAO | H14 | 92.7° | 93.3° |
| CAO | CAM | SAK | H10 | 120.3° | 118.5° |
| CAM | CAO | NAJ | CAN | 119.3° | 120.2° |
| CAM | CAO | NAJ | H14 | 122.5° | 121.2° |
| CAM | CAO | CAN | H14 | 122.4° | 123.6° |
| CAM | CAO | NAJ | CAL | 119.6° | 120.2° |
| CAO | CAM | SAK | CAH | 41.6° | 34.8° |
| CAM | CAO | CAN | CAH | 3.7° | 0.1° |
| CAM | CAO | CAN | NAI | 117.3° | 118.1° |
| CAO | CAM | CAG | H8 | 8.9° | 55.1° |
| CAO | CAM | CAG | H9 | 128.6° | 65.0° |
| CAM | CAO | CAN | H13 | 121.5° | 123.6° |
| CAM | CAO | NAJ | H15 | 60.4° | 59.8° |
| SAK | CAM | CAO | NAJ | 84.1° | 90.2° |
| SAK | CAM | CAO | CAN | 30.8° | 24.7° |
| CAM | SAK | CAH | CAN | 40.0° | 34.7° |
| SAK | CAM | CAG | H8 | 99.5° | 168.3° |
| SAK | CAM | CAG | H9 | 20.2° | 48.3° |
| CAM | SAK | CAH | H11 | 158.8° | 153.0° |
| CAM | SAK | CAH | H12 | 78.8° | 83.8° |
| SAK | CAM | CAO | H14 | 153.0° | 148.5° |
| NAJ | CAO | CAN | H14 | 119.0° | 118.4° |
| CAO | NAJ | CAL | H15 | 180.0° | 179.9° |
| NAJ | CAO | CAN | CAH | 114.9° | 118.0° |
| NAJ | CAO | CAN | NAI | 1.4° | 0.0° |
| CAO | NAJ | CAL | NAI | 2.1° | 0.0° |
| CAO | NAJ | CAL | OAB | 179.1° | 179.9° |
| NAJ | CAO | CAM | H10 | 158.6° | 151.2° |
| NAJ | CAO | CAN | H13 | 119.8° | 118.3° |
| CAN | CAO | NAJ | CAL | 0.3° | 0.0° |
| CAO | CAN | CAH | SAK | 26.0° | 24.6° |
| CAO | CAN | CAH | NAI | 111.2° | 114.8° |
| CAO | CAN | CAH | H13 | 125.1° | 123.8° |
| CAO | CAN | NAI | H13 | 120.1° | 118.5° |
| CAO | CAN | NAI | CAL | 2.7° | 0.0° |
| CAN | CAO | CAM | H10 | 86.6° | 93.8° |
| CAO | CAN | CAH | H11 | 144.8° | 142.9° |
| CAO | CAN | CAH | H12 | 92.8° | 93.8° |
| CAN | CAO | NAJ | H15 | 179.7° | 179.9° |
| CAO | CAN | NAI | H16 | 177.3° | 180.0° |
| NAJ | CAL | NAI | CAN | 3.1° | 0.1° |
| NAJ | CAL | NAI | OAB | 177.1° | 179.9° |
| CAL | NAJ | CAO | H14 | 118.0° | 118.5° |
| NAJ | CAL | NAI | H16 | 176.9° | 180.0° |
| SAK | CAH | CAN | H11 | 118.8° | 118.3° |
| SAK | CAH | CAN | H12 | 118.8° | 118.4° |
| SAK | CAH | CAN | NAI | 85.2° | 90.2° |
| CAH | SAK | CAM | H10 | 78.7° | 83.7° |
| SAK | CAH | H11 | H12 | 123.4° | 123.3° |
| SAK | CAH | CAN | H13 | 151.1° | 148.4° |
| CAH | CAN | NAI | H13 | 123.0° | 121.4° |
| CAH | CAN | NAI | CAL | 119.6° | 120.2° |
| CAN | CAH | H11 | H12 | 123.4° | 123.4° |
| CAH | CAN | CAO | H14 | 126.1° | 123.7° |
| CAH | CAN | NAI | H16 | 60.4° | 59.9° |
| CAN | NAI | CAL | H16 | 180.0° | 179.9° |
| CAN | NAI | CAL | OAB | 179.7° | 180.0° |
| NAI | CAN | CAH | H11 | 33.6° | 28.1° |
| NAI | CAN | CAH | H12 | 156.0° | 151.4° |
| NAI | CAN | CAO | H14 | 120.4° | 118.4° |
| CAL | NAI | CAN | H13 | 117.4° | 118.5° |
| NAI | CAL | NAJ | H15 | 177.9° | 180.0° |
| OAB | CAL | NAJ | H15 | 0.9° | 0.1° |
| OAB | CAL | NAI | H16 | 0.2° | 0.1° |
| H2 | CAD | CAE | H4 | 148.4° | 180.0° |
| H2 | CAD | CAE | H5 | 93.9° | 60.0° |
| H3 | CAD | CAE | H4 | 29.8° | 60.0° |
| H3 | CAD | CAE | H5 | 147.5° | 180.0° |
| H4 | CAE | CAF | H6 | 94.6° | 180.0° |
| H4 | CAE | CAF | H7 | 23.6° | 60.0° |
| H5 | CAE | CAF | H6 | 147.6° | 60.0° |
| H5 | CAE | CAF | H7 | 94.2° | 180.0° |
| H6 | CAF | CAG | H8 | 163.2° | 180.0° |
| H6 | CAF | CAG | H9 | 43.5° | 60.0° |
| H7 | CAF | CAG | H8 | 78.6° | 59.9° |
| H7 | CAF | CAG | H9 | 161.7° | 180.0° |
| H8 | CAG | CAM | H10 | 137.4° | 68.2° |
| H9 | CAG | CAM | H10 | 102.9° | 171.7° |
| H10 | CAM | CAO | H14 | 35.7° | 29.9° |
| H11 | CAH | CAN | H13 | 90.1° | 93.3° |
| H12 | CAH | CAN | H13 | 32.3° | 30.0° |
| H13 | CAN | CAO | H14 | 0.8° | 0.0° |
| H13 | CAN | NAI | H16 | 62.5° | 61.4° |
| H14 | CAO | NAJ | H15 | 62.0° | 61.4° |
