K8B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAD | sing | 1.51Å | 1.41Å | |
| CAD | CAE | doub | 1.32Å | 1.41Å | |
| CAE | NAT | sing | 1.39Å | 1.39Å | |
| CAN | NAT | sing | 1.47Å | 1.46Å | |
| CAN | CAL | sing | 1.53Å | 1.53Å | |
| NAT | CAO | sing | 1.47Å | 1.46Å | |
| CAL | CAS | sing | 1.53Å | 1.50Å | |
| CAO | CAM | sing | 1.53Å | 1.49Å | |
| CAS | CAM | sing | 1.53Å | 1.52Å | |
| CAS | CAK | sing | 1.53Å | 1.53Å | |
| CAK | CAJ | sing | 1.53Å | 1.50Å | |
| CAJ | CAP | sing | 1.51Å | 1.36Å | |
| CAP | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | CAG | sing | 1.38Å | 1.37Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.37Å | Aromatic |
| CAH | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAB | CAR | sing | 1.53Å | 1.50Å | |
| CAI | CAQ | sing | 1.38Å | 1.37Å | Aromatic |
| CAQ | CAR | sing | 1.51Å | 1.38Å | |
| CAR | CAC | sing | 1.53Å | 1.51Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAB | H2 | sing | 1.09Å | 1.10Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAR | H4 | sing | 1.09Å | 1.10Å | |
| CAC | H5 | sing | 1.09Å | 1.10Å | |
| CAC | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAG | H9 | sing | 1.08Å | 1.08Å | |
| CAH | H10 | sing | 1.08Å | 1.08Å | |
| CAF | H11 | sing | 1.08Å | 1.08Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAS | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.09Å | 1.10Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAO | H19 | sing | 1.09Å | 1.10Å | |
| CAO | H20 | sing | 1.09Å | 1.10Å | |
| CAL | H21 | sing | 1.09Å | 1.10Å | |
| CAL | H22 | sing | 1.09Å | 1.10Å | |
| CAN | H23 | sing | 1.09Å | 1.10Å | |
| CAN | H24 | sing | 1.09Å | 1.10Å | |
| CAE | H25 | sing | 1.08Å | 1.08Å | |
| CAD | H26 | sing | 1.08Å | 1.08Å | |
| CAA | H27 | sing | 1.09Å | 1.10Å | |
| CAA | H28 | sing | 1.09Å | 1.10Å | |
| CAA | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAD | CAE | 119.2° | 120.0° |
| CAA | CAD | H26 | 120.4° | 120.0° |
| CAD | CAA | H27 | 109.5° | 109.5° |
| CAD | CAA | H28 | 109.5° | 109.5° |
| CAD | CAA | H29 | 109.5° | 109.5° |
| CAD | CAE | NAT | 120.8° | 119.9° |
| CAD | CAE | H25 | 119.6° | 120.0° |
| CAE | CAD | H26 | 120.4° | 120.0° |
| CAE | NAT | CAN | 114.1° | 120.7° |
| CAE | NAT | CAO | 112.7° | 120.6° |
| NAT | CAE | H25 | 119.6° | 120.1° |
| NAT | CAN | CAL | 106.7° | 108.8° |
| CAN | NAT | CAO | 112.2° | 118.7° |
| NAT | CAN | H23 | 110.1° | 109.6° |
| NAT | CAN | H24 | 110.1° | 109.6° |
| CAN | CAL | CAS | 107.8° | 109.3° |
| CAN | CAL | H21 | 109.9° | 109.5° |
| CAN | CAL | H22 | 109.9° | 109.5° |
| CAL | CAN | H23 | 110.2° | 109.5° |
| CAL | CAN | H24 | 110.2° | 109.6° |
| NAT | CAO | CAM | 102.8° | 108.8° |
| NAT | CAO | H19 | 111.1° | 109.6° |
| NAT | CAO | H20 | 111.1° | 109.7° |
| CAL | CAS | CAM | 113.7° | 109.5° |
| CAL | CAS | CAK | 105.8° | 109.4° |
| CAL | CAS | H16 | 109.9° | 109.5° |
| CAS | CAL | H21 | 109.9° | 109.5° |
| CAS | CAL | H22 | 109.9° | 109.5° |
| CAO | CAM | CAS | 111.6° | 109.3° |
| CAO | CAM | H17 | 108.9° | 109.5° |
| CAO | CAM | H18 | 108.9° | 109.6° |
| CAM | CAO | H19 | 111.1° | 109.6° |
| CAM | CAO | H20 | 111.1° | 109.6° |
| CAM | CAS | CAK | 108.3° | 109.5° |
| CAM | CAS | H16 | 109.6° | 109.5° |
| CAS | CAM | H17 | 108.9° | 109.5° |
| CAS | CAM | H18 | 108.9° | 109.5° |
| CAS | CAK | CAJ | 110.7° | 109.5° |
| CAS | CAK | H14 | 109.2° | 109.5° |
| CAS | CAK | H15 | 109.2° | 109.4° |
| CAK | CAS | H16 | 109.4° | 109.4° |
| CAK | CAJ | CAP | 112.2° | 109.5° |
| CAK | CAJ | H12 | 108.8° | 109.5° |
| CAK | CAJ | H13 | 108.8° | 109.4° |
| CAJ | CAK | H14 | 109.2° | 109.5° |
| CAJ | CAK | H15 | 109.2° | 109.4° |
| CAJ | CAP | CAF | 122.2° | 120.0° |
| CAJ | CAP | CAG | 116.9° | 120.0° |
| CAP | CAJ | H12 | 108.8° | 109.5° |
| CAP | CAJ | H13 | 108.8° | 109.5° |
| CAF | CAP | CAG | 120.7° | 120.0° |
| CAP | CAF | CAH | 119.4° | 120.0° |
| CAP | CAF | H11 | 120.3° | 120.0° |
| CAP | CAG | CAI | 120.5° | 120.0° |
| CAP | CAG | H9 | 119.7° | 120.0° |
| CAF | CAH | CAQ | 118.8° | 120.0° |
| CAF | CAH | H10 | 120.6° | 119.9° |
| CAH | CAF | H11 | 120.3° | 120.0° |
| CAG | CAI | CAQ | 119.5° | 120.0° |
| CAG | CAI | H8 | 120.2° | 120.0° |
| CAI | CAG | H9 | 119.7° | 120.1° |
| CAH | CAQ | CAI | 120.9° | 120.0° |
| CAH | CAQ | CAR | 123.7° | 120.0° |
| CAQ | CAH | H10 | 120.6° | 120.1° |
| CAB | CAR | CAQ | 110.1° | 109.5° |
| CAB | CAR | CAC | 109.8° | 109.5° |
| CAR | CAB | H1 | 109.5° | 109.5° |
| CAR | CAB | H2 | 109.5° | 109.5° |
| CAR | CAB | H3 | 109.5° | 109.5° |
| CAB | CAR | H4 | 108.9° | 109.4° |
| CAI | CAQ | CAR | 115.4° | 120.0° |
| CAQ | CAI | H8 | 120.2° | 120.0° |
| CAQ | CAR | CAC | 108.6° | 109.5° |
| CAQ | CAR | H4 | 110.6° | 109.5° |
| CAC | CAR | H4 | 108.8° | 109.4° |
| CAR | CAC | H5 | 109.5° | 109.4° |
| CAR | CAC | H6 | 109.5° | 109.5° |
| CAR | CAC | H7 | 109.5° | 109.5° |
| H1 | CAB | H2 | 109.5° | 109.4° |
| H1 | CAB | H3 | 109.4° | 109.5° |
| H2 | CAB | H3 | 109.5° | 109.4° |
| H5 | CAC | H6 | 109.5° | 109.4° |
| H5 | CAC | H7 | 109.5° | 109.5° |
| H6 | CAC | H7 | 109.5° | 109.5° |
| H12 | CAJ | H13 | 109.5° | 109.5° |
| H14 | CAK | H15 | 109.5° | 109.5° |
| H17 | CAM | H18 | 109.5° | 109.5° |
| H19 | CAO | H20 | 109.5° | 109.6° |
| H21 | CAL | H22 | 109.5° | 109.5° |
| H23 | CAN | H24 | 109.4° | 109.7° |
| H27 | CAA | H28 | 109.4° | 109.5° |
| H27 | CAA | H29 | 109.5° | 109.4° |
| H28 | CAA | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAD | CAE | H26 | 180.0° | 180.0° |
| CAA | CAD | CAE | NAT | 174.1° | 174.4° |
| CAA | CAD | CAE | H25 | 5.9° | 5.6° |
| CAD | CAA | H27 | H28 | 120.0° | 120.1° |
| CAD | CAA | H27 | H29 | 120.0° | 120.0° |
| CAD | CAA | H28 | H29 | 120.0° | 120.1° |
| CAD | CAE | NAT | H25 | 180.0° | 180.0° |
| CAD | CAE | NAT | CAN | 17.8° | 5.0° |
| CAD | CAE | NAT | CAO | 111.6° | 174.9° |
| CAE | CAD | CAA | H27 | 180.0° | 60.0° |
| CAE | CAD | CAA | H28 | 60.0° | 180.0° |
| CAE | CAD | CAA | H29 | 60.0° | 59.9° |
| CAE | NAT | CAN | CAO | 129.7° | 180.0° |
| CAE | NAT | CAN | CAL | 159.3° | 126.4° |
| CAE | NAT | CAO | CAM | 159.3° | 126.4° |
| CAE | NAT | CAO | H19 | 40.4° | 113.8° |
| CAE | NAT | CAO | H20 | 81.7° | 6.5° |
| CAE | NAT | CAN | H23 | 81.2° | 6.6° |
| CAE | NAT | CAN | H24 | 39.7° | 113.8° |
| NAT | CAE | CAD | H26 | 5.8° | 5.6° |
| NAT | CAN | CAL | H23 | 119.6° | 119.8° |
| NAT | CAN | CAL | H24 | 119.6° | 119.8° |
| NAT | CAN | CAL | CAS | 56.2° | 54.7° |
| CAN | NAT | CAO | CAM | 70.3° | 53.6° |
| CAN | NAT | CAO | H19 | 170.8° | 66.2° |
| CAN | NAT | CAO | H20 | 48.6° | 173.5° |
| NAT | CAN | CAL | H21 | 176.0° | 65.3° |
| NAT | CAN | CAL | H22 | 63.5° | 174.6° |
| NAT | CAN | H23 | H24 | 121.2° | 120.4° |
| CAN | NAT | CAE | H25 | 162.2° | 175.0° |
| CAL | CAN | NAT | CAO | 71.1° | 53.6° |
| CAN | CAL | CAS | H21 | 119.7° | 120.0° |
| CAN | CAL | CAS | H22 | 119.7° | 119.9° |
| CAN | CAL | CAS | CAM | 50.4° | 61.4° |
| CAN | CAL | CAS | CAK | 169.1° | 178.6° |
| CAN | CAL | CAS | H16 | 72.9° | 58.6° |
| CAN | CAL | H21 | H22 | 120.8° | 120.1° |
| CAL | CAN | H23 | H24 | 121.3° | 120.3° |
| NAT | CAO | CAM | H19 | 118.9° | 119.8° |
| NAT | CAO | CAM | H20 | 119.0° | 120.0° |
| NAT | CAO | CAM | CAS | 58.6° | 54.6° |
| NAT | CAO | CAM | H17 | 61.7° | 174.6° |
| NAT | CAO | CAM | H18 | 178.9° | 65.3° |
| NAT | CAO | H19 | H20 | 123.1° | 120.4° |
| CAO | NAT | CAN | H23 | 48.5° | 173.3° |
| CAO | NAT | CAN | H24 | 169.4° | 66.2° |
| CAO | NAT | CAE | H25 | 68.4° | 5.1° |
| CAL | CAS | CAM | CAO | 53.9° | 61.4° |
| CAL | CAS | CAM | CAK | 117.3° | 120.0° |
| CAL | CAS | CAM | H16 | 123.4° | 120.0° |
| CAL | CAS | CAK | H16 | 118.3° | 120.0° |
| CAL | CAS | CAK | CAJ | 164.7° | 64.9° |
| CAL | CAS | CAK | H14 | 44.5° | 175.0° |
| CAL | CAS | CAK | H15 | 75.1° | 55.1° |
| CAL | CAS | CAM | H17 | 66.4° | 178.6° |
| CAL | CAS | CAM | H18 | 174.2° | 58.6° |
| CAS | CAL | H21 | H22 | 120.8° | 120.1° |
| CAS | CAL | CAN | H23 | 63.3° | 174.4° |
| CAS | CAL | CAN | H24 | 175.8° | 65.2° |
| CAO | CAM | CAS | H17 | 120.3° | 120.0° |
| CAO | CAM | CAS | H18 | 120.3° | 120.0° |
| CAO | CAM | CAS | CAK | 171.2° | 178.6° |
| CAO | CAM | CAS | H16 | 69.5° | 58.7° |
| CAO | CAM | H17 | H18 | 119.0° | 120.2° |
| CAM | CAO | H19 | H20 | 123.1° | 120.3° |
| CAM | CAS | CAK | H16 | 119.4° | 120.0° |
| CAM | CAS | CAK | CAJ | 73.0° | 175.0° |
| CAM | CAS | CAK | H14 | 166.8° | 55.0° |
| CAM | CAS | CAK | H15 | 47.2° | 65.0° |
| CAS | CAM | H17 | H18 | 119.0° | 120.0° |
| CAS | CAM | CAO | H19 | 177.5° | 65.1° |
| CAS | CAM | CAO | H20 | 60.4° | 174.6° |
| CAM | CAS | CAL | H21 | 170.1° | 58.6° |
| CAM | CAS | CAL | H22 | 69.4° | 178.7° |
| CAS | CAK | CAJ | H14 | 120.2° | 120.0° |
| CAS | CAK | CAJ | H15 | 120.2° | 120.0° |
| CAS | CAK | CAJ | CAP | 161.7° | 180.0° |
| CAS | CAK | CAJ | H12 | 77.9° | 60.0° |
| CAS | CAK | CAJ | H13 | 41.3° | 60.0° |
| CAS | CAK | H14 | H15 | 119.5° | 120.0° |
| CAK | CAS | CAM | H17 | 50.9° | 58.6° |
| CAK | CAS | CAM | H18 | 68.5° | 61.4° |
| CAK | CAS | CAL | H21 | 71.2° | 61.5° |
| CAK | CAS | CAL | H22 | 49.4° | 58.7° |
| CAK | CAJ | CAP | H12 | 120.4° | 120.0° |
| CAK | CAJ | CAP | H13 | 120.4° | 120.0° |
| CAK | CAJ | CAP | CAF | 103.1° | 90.0° |
| CAK | CAJ | CAP | CAG | 82.5° | 90.4° |
| CAK | CAJ | H12 | H13 | 118.7° | 120.0° |
| CAJ | CAK | H14 | H15 | 119.5° | 120.0° |
| CAJ | CAK | CAS | H16 | 46.4° | 55.1° |
| CAJ | CAP | CAF | CAG | 174.1° | 179.6° |
| CAJ | CAP | CAF | CAH | 176.3° | 180.0° |
| CAJ | CAP | CAG | CAI | 176.4° | 180.0° |
| CAJ | CAP | CAG | H9 | 3.6° | 0.1° |
| CAJ | CAP | CAF | H11 | 3.7° | 0.0° |
| CAP | CAJ | H12 | H13 | 118.7° | 120.0° |
| CAP | CAJ | CAK | H14 | 41.5° | 60.0° |
| CAP | CAJ | CAK | H15 | 78.1° | 60.0° |
| CAP | CAF | CAH | H11 | 180.0° | 180.0° |
| CAF | CAP | CAG | CAI | 2.0° | 0.4° |
| CAP | CAF | CAH | CAQ | 1.4° | 0.1° |
| CAF | CAP | CAG | H9 | 178.0° | 179.7° |
| CAP | CAF | CAH | H10 | 178.6° | 179.9° |
| CAF | CAP | CAJ | H12 | 136.5° | 150.0° |
| CAF | CAP | CAJ | H13 | 17.3° | 30.0° |
| CAG | CAP | CAF | CAH | 2.2° | 0.4° |
| CAP | CAG | CAI | H9 | 180.0° | 179.9° |
| CAP | CAG | CAI | CAQ | 1.0° | 0.0° |
| CAP | CAG | CAI | H8 | 179.0° | 180.0° |
| CAG | CAP | CAF | H11 | 177.9° | 179.6° |
| CAG | CAP | CAJ | H12 | 37.9° | 29.6° |
| CAG | CAP | CAJ | H13 | 157.1° | 149.6° |
| CAF | CAH | CAQ | H10 | 180.0° | 180.0° |
| CAF | CAH | CAQ | CAI | 0.5° | 0.3° |
| CAF | CAH | CAQ | CAR | 178.7° | 180.0° |
| CAG | CAI | CAQ | CAH | 0.3° | 0.3° |
| CAG | CAI | CAQ | H8 | 180.0° | 180.0° |
| CAG | CAI | CAQ | CAR | 178.9° | 180.0° |
| CAH | CAQ | CAR | CAB | 66.5° | 60.3° |
| CAH | CAQ | CAI | CAR | 179.2° | 179.7° |
| CAH | CAQ | CAR | CAC | 53.8° | 59.7° |
| CAH | CAQ | CAR | H4 | 173.1° | 179.7° |
| CAH | CAQ | CAI | H8 | 179.7° | 179.7° |
| CAQ | CAH | CAF | H11 | 178.6° | 179.9° |
| CAB | CAR | CAQ | CAI | 114.4° | 120.0° |
| CAB | CAR | CAQ | CAC | 120.2° | 120.0° |
| CAB | CAR | CAQ | H4 | 120.4° | 120.0° |
| CAB | CAR | CAC | H4 | 119.1° | 119.9° |
| CAR | CAB | H1 | H2 | 120.0° | 120.0° |
| CAR | CAB | H1 | H3 | 120.0° | 120.0° |
| CAR | CAB | H2 | H3 | 120.0° | 120.0° |
| CAB | CAR | CAC | H5 | 180.0° | 60.1° |
| CAB | CAR | CAC | H6 | 60.0° | 180.0° |
| CAB | CAR | CAC | H7 | 60.0° | 59.9° |
| CAI | CAQ | CAR | CAC | 125.4° | 119.9° |
| CAI | CAQ | CAR | H4 | 6.1° | 0.0° |
| CAQ | CAI | CAG | H9 | 179.0° | 179.9° |
| CAI | CAQ | CAH | H10 | 179.6° | 179.7° |
| CAQ | CAR | CAC | H4 | 120.5° | 120.0° |
| CAQ | CAR | CAB | H1 | 180.0° | 180.0° |
| CAQ | CAR | CAB | H2 | 60.0° | 60.0° |
| CAQ | CAR | CAB | H3 | 60.0° | 60.0° |
| CAQ | CAR | CAC | H5 | 59.6° | 60.0° |
| CAQ | CAR | CAC | H6 | 60.5° | 59.9° |
| CAQ | CAR | CAC | H7 | 179.6° | 180.0° |
| CAR | CAQ | CAI | H8 | 1.1° | 0.0° |
| CAR | CAQ | CAH | H10 | 1.3° | 0.0° |
| CAC | CAR | CAB | H1 | 60.5° | 60.0° |
| CAC | CAR | CAB | H2 | 59.5° | 179.9° |
| CAC | CAR | CAB | H3 | 179.5° | 60.1° |
| CAR | CAC | H5 | H6 | 120.0° | 119.9° |
| CAR | CAC | H5 | H7 | 120.0° | 120.0° |
| CAR | CAC | H6 | H7 | 120.0° | 120.1° |
| H1 | CAB | H2 | H3 | 120.0° | 120.0° |
| H1 | CAB | CAR | H4 | 58.5° | 59.9° |
| H2 | CAB | CAR | H4 | 178.5° | 60.0° |
| H3 | CAB | CAR | H4 | 61.5° | 180.0° |
| H4 | CAR | CAC | H5 | 60.9° | 180.0° |
| H4 | CAR | CAC | H6 | 179.1° | 60.1° |
| H4 | CAR | CAC | H7 | 59.1° | 60.0° |
| H5 | CAC | H6 | H7 | 120.0° | 120.0° |
| H8 | CAI | CAG | H9 | 1.0° | 0.0° |
| H10 | CAH | CAF | H11 | 1.4° | 0.1° |
| H12 | CAJ | CAK | H14 | 162.0° | 180.0° |
| H12 | CAJ | CAK | H15 | 42.3° | 60.0° |
| H13 | CAJ | CAK | H14 | 78.8° | 60.0° |
| H13 | CAJ | CAK | H15 | 161.5° | NaN° |
| H14 | CAK | CAS | H16 | 73.7° | 65.0° |
| H15 | CAK | CAS | H16 | 166.6° | 175.0° |
| H16 | CAS | CAM | H17 | 170.2° | 61.3° |
| H16 | CAS | CAM | H18 | 50.8° | 178.7° |
| H16 | CAS | CAL | H21 | 46.8° | 178.6° |
| H16 | CAS | CAL | H22 | 167.3° | 61.3° |
| H17 | CAM | CAO | H19 | 57.2° | 54.8° |
| H17 | CAM | CAO | H20 | 179.3° | 65.5° |
| H18 | CAM | CAO | H19 | 62.2° | 174.9° |
| H18 | CAM | CAO | H20 | 59.9° | 54.6° |
| H21 | CAL | CAN | H23 | 56.4° | 54.4° |
| H21 | CAL | CAN | H24 | 64.4° | 174.8° |
| H22 | CAL | CAN | H23 | 176.9° | 65.7° |
| H22 | CAL | CAN | H24 | 56.0° | 54.7° |
| H25 | CAE | CAD | H26 | 174.1° | 174.4° |
| H26 | CAD | CAA | H27 | 0.0° | 120.0° |
| H26 | CAD | CAA | H28 | 120.0° | 0.0° |
| H26 | CAD | CAA | H29 | 120.0° | 120.1° |
| H27 | CAA | H28 | H29 | 120.0° | 119.9° |
