KC5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | CAR | sing | 1.74Å | 1.70Å | |
| CAA | OAO | sing | 1.43Å | 1.43Å | |
| CAR | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAR | CAT | sing | 1.39Å | 1.38Å | Aromatic |
| CAM | CAX | sing | 1.39Å | 1.33Å | Aromatic |
| OAC | CAT | sing | 1.36Å | 1.36Å | |
| CAT | CAV | doub | 1.38Å | 1.38Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | OAP | sing | 1.35Å | 1.30Å | Aromatic |
| CAX | CBA | doub | 1.41Å | 1.34Å | Aromatic |
| OAO | CAU | sing | 1.36Å | 1.36Å | |
| OAP | CAZ | sing | 1.34Å | 1.29Å | Aromatic |
| CAH | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAV | CBA | sing | 1.40Å | 1.34Å | Aromatic |
| CAV | CL2 | sing | 1.74Å | 1.72Å | |
| CBA | CAY | sing | 1.45Å | 1.34Å | Aromatic |
| CAZ | CAY | doub | 1.36Å | 1.34Å | Aromatic |
| CAZ | CAW | sing | 1.48Å | 1.33Å | |
| CAF | CAW | doub | 1.38Å | 1.39Å | |
| CAF | NAN | sing | 1.36Å | 1.33Å | |
| CAS | NAN | sing | 1.40Å | 1.32Å | |
| CAS | CAI | doub | 1.39Å | 1.39Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAL | sing | 1.50Å | 1.40Å | |
| CAW | CAQ | sing | 1.42Å | 1.40Å | |
| CAL | CAG | sing | 1.53Å | 1.48Å | |
| CAQ | CAG | sing | 1.50Å | 1.37Å | |
| CAQ | OAB | doub | 1.21Å | 1.23Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAJ | H9 | sing | 1.08Å | 1.08Å | |
| CAK | H10 | sing | 1.08Å | 1.08Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAL | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.08Å | 1.08Å | |
| OAC | H15 | sing | 0.97Å | 0.95Å | |
| NAN | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | CAR | CAM | 121.2° | 119.7° |
| CL1 | CAR | CAT | 121.7° | 119.7° |
| CAA | OAO | CAU | 113.1° | 117.0° |
| OAO | CAA | H1 | 109.5° | 109.5° |
| OAO | CAA | H2 | 109.5° | 109.5° |
| OAO | CAA | H3 | 109.5° | 109.5° |
| CAM | CAR | CAT | 117.1° | 120.6° |
| CAR | CAM | CAX | 119.6° | 120.2° |
| CAR | CAM | H13 | 120.2° | 120.0° |
| CAR | CAT | OAC | 119.1° | 119.9° |
| CAR | CAT | CAV | 121.8° | 120.1° |
| CAM | CAX | OAP | 128.7° | 132.9° |
| CAM | CAX | CBA | 123.2° | 119.5° |
| CAX | CAM | H13 | 120.2° | 119.9° |
| OAC | CAT | CAV | 119.1° | 120.0° |
| CAT | OAC | H15 | 109.5° | 114.0° |
| CAT | CAV | CBA | 118.6° | 119.8° |
| CAT | CAV | CL2 | 119.2° | 120.1° |
| CAH | CAJ | CAU | 120.0° | 120.0° |
| CAJ | CAH | CAS | 119.6° | 120.0° |
| CAJ | CAH | H7 | 120.2° | 120.0° |
| CAH | CAJ | H9 | 120.0° | 120.0° |
| CAJ | CAU | OAO | 121.9° | 120.0° |
| CAJ | CAU | CAK | 119.7° | 120.0° |
| CAU | CAJ | H9 | 120.0° | 120.0° |
| OAP | CAX | CBA | 108.1° | 107.7° |
| CAX | OAP | CAZ | 109.6° | 110.8° |
| CAX | CBA | CAV | 119.7° | 119.9° |
| CAX | CBA | CAY | 106.6° | 105.4° |
| OAO | CAU | CAK | 118.3° | 120.0° |
| OAP | CAZ | CAY | 108.7° | 109.7° |
| OAP | CAZ | CAW | 128.2° | 129.7° |
| CAH | CAS | NAN | 121.2° | 120.0° |
| CAH | CAS | CAI | 120.2° | 119.9° |
| CAS | CAH | H7 | 120.2° | 120.0° |
| CAU | CAK | CAI | 120.3° | 120.0° |
| CAU | CAK | H10 | 119.8° | 120.0° |
| CBA | CAV | CL2 | 122.2° | 120.1° |
| CAV | CBA | CAY | 133.6° | 134.7° |
| CBA | CAY | CAZ | 106.8° | 106.4° |
| CBA | CAY | CAL | 136.7° | 130.3° |
| CAY | CAZ | CAW | 122.9° | 120.6° |
| CAZ | CAY | CAL | 115.3° | 123.3° |
| CAZ | CAW | CAF | 117.0° | 121.8° |
| CAZ | CAW | CAQ | 120.9° | 116.5° |
| CAW | CAF | NAN | 115.4° | 120.0° |
| CAF | CAW | CAQ | 121.8° | 121.7° |
| CAW | CAF | H4 | 122.3° | 120.0° |
| CAF | NAN | CAS | 117.1° | 120.0° |
| NAN | CAF | H4 | 122.3° | 120.0° |
| CAF | NAN | H14 | 121.5° | 120.0° |
| NAN | CAS | CAI | 118.2° | 120.0° |
| CAS | NAN | H14 | 121.5° | 120.0° |
| CAS | CAI | CAK | 119.9° | 120.0° |
| CAS | CAI | H8 | 120.0° | 120.0° |
| CAK | CAI | H8 | 120.0° | 120.0° |
| CAI | CAK | H10 | 119.9° | 120.0° |
| CAY | CAL | CAG | 109.9° | 109.6° |
| CAY | CAL | H11 | 109.4° | 109.4° |
| CAY | CAL | H12 | 109.4° | 109.4° |
| CAW | CAQ | CAG | 113.5° | 121.0° |
| CAW | CAQ | OAB | 121.7° | 119.5° |
| CAL | CAG | CAQ | 112.2° | 111.9° |
| CAL | CAG | H5 | 108.8° | 109.0° |
| CAL | CAG | H6 | 108.8° | 109.0° |
| CAG | CAL | H11 | 109.3° | 109.4° |
| CAG | CAL | H12 | 109.4° | 109.4° |
| CAG | CAQ | OAB | 122.2° | 119.5° |
| CAQ | CAG | H5 | 108.8° | 109.0° |
| CAQ | CAG | H6 | 108.8° | 108.9° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.4° | 109.5° |
| H5 | CAG | H6 | 109.5° | 109.0° |
| H11 | CAL | H12 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | CAR | CAM | CAT | 179.4° | 179.9° |
| CL1 | CAR | CAM | CAX | 179.5° | 180.0° |
| CL1 | CAR | CAT | OAC | 0.6° | 0.0° |
| CL1 | CAR | CAT | CAV | 179.6° | 180.0° |
| CL1 | CAR | CAM | H13 | 0.5° | 0.0° |
| CAA | OAO | CAU | CAJ | 1.2° | 180.0° |
| CAA | OAO | CAU | CAK | 179.8° | 0.0° |
| OAO | CAA | H1 | H2 | 120.0° | 120.0° |
| OAO | CAA | H1 | H3 | 120.0° | 120.0° |
| OAO | CAA | H2 | H3 | 120.0° | 120.0° |
| CAR | CAM | CAX | H13 | 180.0° | 180.0° |
| CAM | CAR | CAT | OAC | 180.0° | 180.0° |
| CAM | CAR | CAT | CAV | 0.2° | 0.1° |
| CAR | CAM | CAX | OAP | 179.9° | 179.9° |
| CAR | CAM | CAX | CBA | 0.1° | 0.0° |
| CAT | CAR | CAM | CAX | 0.1° | 0.1° |
| CAR | CAT | OAC | CAV | 179.8° | 180.0° |
| CAR | CAT | CAV | CBA | 0.3° | 0.0° |
| CAR | CAT | CAV | CL2 | 179.8° | 180.0° |
| CAT | CAR | CAM | H13 | 179.9° | 179.9° |
| CAR | CAT | OAC | H15 | 180.0° | 89.9° |
| CAM | CAX | OAP | CBA | 179.8° | 180.0° |
| CAM | CAX | OAP | CAZ | 179.4° | 178.9° |
| CAM | CAX | CBA | CAV | 0.2° | 0.1° |
| CAM | CAX | CBA | CAY | 177.7° | 179.8° |
| OAC | CAT | CAV | CBA | 179.9° | 180.0° |
| OAC | CAT | CAV | CL2 | 0.0° | 0.0° |
| CAT | CAV | CBA | CAX | 0.3° | 0.1° |
| CAT | CAV | CBA | CL2 | 179.9° | 180.0° |
| CAT | CAV | CBA | CAY | 177.0° | 179.8° |
| CAV | CAT | OAC | H15 | 0.2° | 90.0° |
| CAH | CAJ | CAU | H9 | 180.0° | 180.0° |
| CAH | CAJ | CAU | OAO | 179.8° | 180.0° |
| CAJ | CAH | CAS | H7 | 180.0° | 179.7° |
| CAH | CAJ | CAU | CAK | 0.8° | 0.0° |
| CAJ | CAH | CAS | NAN | 176.2° | 179.8° |
| CAJ | CAH | CAS | CAI | 3.6° | 0.3° |
| CAJ | CAU | OAO | CAK | 179.0° | 179.9° |
| CAU | CAJ | CAH | CAS | 2.0° | 0.0° |
| CAJ | CAU | CAK | CAI | 1.1° | 0.2° |
| CAU | CAJ | CAH | H7 | 178.0° | 179.7° |
| CAJ | CAU | CAK | H10 | 178.9° | 179.8° |
| OAP | CAX | CBA | CAV | 180.0° | 179.8° |
| OAP | CAX | CBA | CAY | 2.5° | 0.2° |
| CAX | OAP | CAZ | CAY | 3.2° | 1.6° |
| CAX | OAP | CAZ | CAW | 178.4° | 178.4° |
| OAP | CAX | CAM | H13 | 0.1° | 0.1° |
| CBA | CAX | OAP | CAZ | 0.4° | 1.1° |
| CAX | CBA | CAV | CAY | 176.7° | 179.9° |
| CAX | CBA | CAV | CL2 | 179.8° | 179.9° |
| CAX | CBA | CAY | CAZ | 4.3° | 0.7° |
| CAX | CBA | CAY | CAL | 170.3° | 179.3° |
| CBA | CAX | CAM | H13 | 179.9° | 180.0° |
| OAO | CAU | CAK | CAI | 179.8° | 179.7° |
| CAU | OAO | CAA | H1 | 180.0° | 60.0° |
| CAU | OAO | CAA | H2 | 60.0° | 60.0° |
| CAU | OAO | CAA | H3 | 60.0° | 180.0° |
| OAO | CAU | CAJ | H9 | 0.3° | 0.1° |
| OAO | CAU | CAK | H10 | 0.1° | 0.3° |
| OAP | CAZ | CAY | CBA | 4.6° | 1.4° |
| OAP | CAZ | CAY | CAW | 175.5° | 180.0° |
| OAP | CAZ | CAW | CAF | 6.0° | 10.6° |
| OAP | CAZ | CAY | CAL | 174.1° | 178.6° |
| OAP | CAZ | CAW | CAQ | 168.5° | 169.3° |
| CAH | CAS | NAN | CAF | 0.2° | 180.0° |
| CAH | CAS | NAN | CAI | 172.8° | 179.9° |
| CAH | CAS | CAI | CAK | 3.9° | 0.5° |
| CAH | CAS | CAI | H8 | 176.1° | 180.0° |
| CAS | CAH | CAJ | H9 | 178.1° | 179.9° |
| CAH | CAS | NAN | H14 | 179.8° | 0.1° |
| CAU | CAK | CAI | CAS | 2.7° | 0.5° |
| CAU | CAK | CAI | H10 | 180.0° | 180.0° |
| CAU | CAK | CAI | H8 | 177.3° | 180.0° |
| CAK | CAU | CAJ | H9 | 179.3° | 180.0° |
| CAV | CBA | CAY | CAZ | 178.7° | 179.2° |
| CAV | CBA | CAY | CAL | 12.7° | 0.8° |
| CL2 | CAV | CBA | CAY | 3.1° | 0.2° |
| CBA | CAY | CAZ | CAL | 169.5° | 180.0° |
| CBA | CAY | CAZ | CAW | 179.8° | 178.6° |
| CBA | CAY | CAL | CAG | 154.0° | 149.5° |
| CBA | CAY | CAL | H11 | 33.9° | 29.5° |
| CBA | CAY | CAL | H12 | 86.0° | 90.5° |
| CAY | CAZ | CAW | CAF | 179.4° | 169.4° |
| CAY | CAZ | CAW | CAQ | 6.1° | 10.7° |
| CAZ | CAY | CAL | CAG | 40.8° | 30.6° |
| CAZ | CAY | CAL | H11 | 160.9° | 150.6° |
| CAZ | CAY | CAL | H12 | 79.3° | 89.5° |
| CAZ | CAW | CAF | CAQ | 174.5° | 179.9° |
| CAZ | CAW | CAF | NAN | 179.6° | 175.4° |
| CAW | CAZ | CAY | CAL | 10.4° | 1.4° |
| CAZ | CAW | CAQ | CAG | 12.0° | 9.2° |
| CAZ | CAW | CAQ | OAB | 174.1° | 170.7° |
| CAZ | CAW | CAF | H4 | 0.5° | 4.6° |
| CAW | CAF | NAN | H4 | 180.0° | 179.9° |
| CAW | CAF | NAN | CAS | 180.0° | 174.3° |
| CAF | CAW | CAQ | CAG | 162.3° | 170.7° |
| CAF | CAW | CAQ | OAB | 0.2° | 9.3° |
| CAW | CAF | NAN | H14 | 0.0° | 5.8° |
| CAF | NAN | CAS | H14 | 180.0° | 180.0° |
| CAF | NAN | CAS | CAI | 172.9° | 0.1° |
| NAN | CAF | CAW | CAQ | 5.1° | 4.7° |
| NAN | CAS | CAI | CAK | 176.8° | 179.5° |
| CAS | NAN | CAF | H4 | 0.0° | 5.7° |
| NAN | CAS | CAH | H7 | 3.8° | 0.1° |
| NAN | CAS | CAI | H8 | 3.3° | 0.1° |
| CAS | CAI | CAK | H8 | 180.0° | 179.5° |
| CAI | CAS | CAH | H7 | 176.4° | 180.0° |
| CAS | CAI | CAK | H10 | 177.3° | 179.5° |
| CAI | CAS | NAN | H14 | 7.1° | 180.0° |
| CAY | CAL | CAG | H11 | 120.1° | 120.0° |
| CAY | CAL | CAG | H12 | 120.1° | 120.0° |
| CAY | CAL | CAG | CAQ | 58.9° | 46.3° |
| CAY | CAL | CAG | H5 | 61.5° | 167.0° |
| CAY | CAL | CAG | H6 | 179.4° | 74.2° |
| CAY | CAL | H11 | H12 | 119.8° | 119.9° |
| CAW | CAQ | CAG | CAL | 43.4° | 38.7° |
| CAW | CAQ | CAG | OAB | 162.0° | 180.0° |
| CAQ | CAW | CAF | H4 | 174.9° | 175.4° |
| CAW | CAQ | CAG | H5 | 77.0° | 159.3° |
| CAW | CAQ | CAG | H6 | 163.8° | 81.9° |
| CAL | CAG | CAQ | H5 | 120.4° | 120.6° |
| CAL | CAG | CAQ | H6 | 120.4° | 120.6° |
| CAL | CAG | CAQ | OAB | 154.5° | 141.2° |
| CAL | CAG | H5 | H6 | 118.7° | 118.8° |
| CAG | CAL | H11 | H12 | 119.8° | 119.9° |
| CAQ | CAG | H5 | H6 | 118.7° | 118.8° |
| CAQ | CAG | CAL | H11 | 179.0° | 166.3° |
| CAQ | CAG | CAL | H12 | 61.1° | 73.7° |
| OAB | CAQ | CAG | H5 | 85.1° | 20.6° |
| OAB | CAQ | CAG | H6 | 34.1° | 98.2° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H4 | CAF | NAN | H14 | 180.0° | 174.3° |
| H5 | CAG | CAL | H11 | 58.6° | 73.1° |
| H5 | CAG | CAL | H12 | 178.5° | 46.9° |
| H6 | CAG | CAL | H11 | 60.6° | 45.7° |
| H6 | CAG | CAL | H12 | 59.3° | 165.7° |
| H7 | CAH | CAJ | H9 | 1.9° | 0.2° |
| H8 | CAI | CAK | H10 | 2.7° | 0.0° |
