KBP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | sing | 1.51Å | 1.51Å | |
| CAA | OAM | doub | 1.21Å | 1.23Å | |
| CAA | SAO | sing | 1.71Å | 1.73Å | |
| CAB | CAC | sing | 1.53Å | 1.53Å | |
| CAC | CAD | sing | 1.53Å | 1.52Å | |
| CAC | OAN | sing | 1.43Å | 1.43Å | |
| CAD | CAE | sing | 1.53Å | 1.52Å | |
| CAE | CAF | sing | 1.53Å | 1.54Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CAG | CAH | sing | 1.53Å | 1.54Å | |
| CAH | CAI | sing | 1.53Å | 1.54Å | |
| CAI | CAJ | sing | 1.53Å | 1.54Å | |
| SAO | CAP | sing | 1.81Å | 1.84Å | |
| CAP | CAQ | sing | 1.53Å | 1.54Å | |
| CAQ | NAR | sing | 1.47Å | 1.49Å | |
| NAR | CAS | sing | 1.35Å | 1.35Å | |
| CAS | CAT | sing | 1.51Å | 1.55Å | |
| CAS | OAY | doub | 1.21Å | 1.23Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAD | HADA | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAE | HAEA | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAF | HAFA | sing | 1.09Å | 1.10Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJB | sing | 1.09Å | 1.10Å | |
| OAN | HOAN | sing | 0.97Å | 0.95Å | |
| CAP | HAP | sing | 1.09Å | 1.10Å | |
| CAP | HAPA | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.09Å | 1.10Å | |
| CAQ | HAQA | sing | 1.09Å | 1.10Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAT | HATB | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | OAM | 121.5° | 120.0° |
| CAB | CAA | SAO | 115.3° | 120.0° |
| CAA | CAB | CAC | 110.2° | 109.5° |
| CAA | CAB | HAB | 109.3° | 109.5° |
| CAA | CAB | HABA | 109.3° | 109.5° |
| OAM | CAA | SAO | 122.9° | 120.0° |
| CAA | SAO | CAP | 101.9° | 100.0° |
| CAB | CAC | CAD | 107.5° | 109.4° |
| CAB | CAC | OAN | 110.1° | 109.5° |
| CAC | CAB | HAB | 109.3° | 109.5° |
| CAC | CAB | HABA | 109.3° | 109.4° |
| CAB | CAC | HAC | 109.1° | 109.4° |
| CAD | CAC | OAN | 110.2° | 109.5° |
| CAC | CAD | CAE | 108.6° | 109.4° |
| CAD | CAC | HAC | 109.2° | 109.5° |
| CAC | CAD | HAD | 109.7° | 109.5° |
| CAC | CAD | HADA | 109.7° | 109.5° |
| OAN | CAC | HAC | 110.5° | 109.5° |
| CAC | OAN | HOAN | 109.5° | 114.0° |
| CAD | CAE | CAF | 109.2° | 109.4° |
| CAE | CAD | HAD | 109.7° | 109.4° |
| CAE | CAD | HADA | 109.7° | 109.5° |
| CAD | CAE | HAE | 109.5° | 109.4° |
| CAD | CAE | HAEA | 109.5° | 109.5° |
| CAE | CAF | CAG | 110.9° | 109.4° |
| CAF | CAE | HAE | 109.5° | 109.5° |
| CAF | CAE | HAEA | 109.5° | 109.5° |
| CAE | CAF | HAF | 109.1° | 109.5° |
| CAE | CAF | HAFA | 109.2° | 109.5° |
| CAF | CAG | CAH | 113.5° | 109.5° |
| CAG | CAF | HAF | 109.1° | 109.5° |
| CAG | CAF | HAFA | 109.1° | 109.4° |
| CAF | CAG | HAG | 108.4° | 109.5° |
| CAF | CAG | HAGA | 108.4° | 109.5° |
| CAG | CAH | CAI | 113.3° | 109.5° |
| CAH | CAG | HAG | 108.5° | 109.4° |
| CAH | CAG | HAGA | 108.5° | 109.4° |
| CAG | CAH | HAH | 108.5° | 109.4° |
| CAG | CAH | HAHA | 108.5° | 109.4° |
| CAH | CAI | CAJ | 111.6° | 109.5° |
| CAI | CAH | HAH | 108.5° | 109.5° |
| CAI | CAH | HAHA | 108.5° | 109.5° |
| CAH | CAI | HAI | 108.9° | 109.5° |
| CAH | CAI | HAIA | 109.0° | 109.5° |
| CAJ | CAI | HAI | 108.9° | 109.4° |
| CAJ | CAI | HAIA | 108.9° | 109.4° |
| CAI | CAJ | HAJ | 109.5° | 109.5° |
| CAI | CAJ | HAJA | 109.4° | 109.4° |
| CAI | CAJ | HAJB | 109.5° | 109.4° |
| SAO | CAP | CAQ | 116.6° | 109.5° |
| SAO | CAP | HAP | 107.7° | 109.5° |
| SAO | CAP | HAPA | 107.7° | 109.4° |
| CAP | CAQ | NAR | 111.0° | 109.5° |
| CAQ | CAP | HAP | 107.7° | 109.5° |
| CAQ | CAP | HAPA | 107.7° | 109.5° |
| CAP | CAQ | HAQ | 109.1° | 109.5° |
| CAP | CAQ | HAQA | 109.1° | 109.5° |
| CAQ | NAR | CAS | 124.6° | 120.0° |
| NAR | CAQ | HAQ | 109.1° | 109.4° |
| NAR | CAQ | HAQA | 109.1° | 109.5° |
| CAQ | NAR | HNAR | 117.7° | 120.0° |
| NAR | CAS | CAT | 115.0° | 120.0° |
| NAR | CAS | OAY | 125.3° | 120.0° |
| CAS | NAR | HNAR | 117.7° | 120.1° |
| CAT | CAS | OAY | 119.7° | 120.0° |
| CAS | CAT | HAT | 109.5° | 109.5° |
| CAS | CAT | HATA | 109.5° | 109.5° |
| CAS | CAT | HATB | 109.5° | 109.5° |
| HAB | CAB | HABA | 109.5° | 109.5° |
| HAD | CAD | HADA | 109.5° | 109.5° |
| HAE | CAE | HAEA | 109.5° | 109.5° |
| HAF | CAF | HAFA | 109.5° | 109.5° |
| HAG | CAG | HAGA | 109.5° | 109.5° |
| HAH | CAH | HAHA | 109.5° | 109.5° |
| HAI | CAI | HAIA | 109.4° | 109.5° |
| HAJ | CAJ | HAJA | 109.5° | 109.5° |
| HAJ | CAJ | HAJB | 109.4° | 109.5° |
| HAJA | CAJ | HAJB | 109.5° | 109.5° |
| HAP | CAP | HAPA | 109.5° | 109.5° |
| HAQ | CAQ | HAQA | 109.5° | 109.5° |
| HAT | CAT | HATA | 109.5° | 109.5° |
| HAT | CAT | HATB | 109.5° | 109.5° |
| HATA | CAT | HATB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | OAM | SAO | 173.3° | 179.7° |
| CAA | CAB | CAC | HAB | 120.1° | 120.1° |
| CAA | CAB | CAC | HABA | 120.1° | 120.0° |
| CAA | CAB | CAC | CAD | 152.6° | 175.0° |
| CAA | CAB | CAC | OAN | 87.3° | 65.0° |
| CAB | CAA | SAO | CAP | 176.4° | 180.0° |
| CAA | CAB | HAB | HABA | 119.7° | 120.0° |
| CAA | CAB | CAC | HAC | 34.2° | 55.0° |
| OAM | CAA | CAB | CAC | 46.2° | 0.0° |
| OAM | CAA | SAO | CAP | 2.7° | 0.3° |
| OAM | CAA | CAB | HAB | 73.8° | 120.0° |
| OAM | CAA | CAB | HABA | 166.4° | 120.0° |
| SAO | CAA | CAB | CAC | 127.6° | 179.7° |
| CAA | SAO | CAP | CAQ | 72.7° | 180.0° |
| SAO | CAA | CAB | HAB | 112.3° | 60.3° |
| SAO | CAA | CAB | HABA | 7.4° | 59.8° |
| CAA | SAO | CAP | HAP | 166.3° | 60.0° |
| CAA | SAO | CAP | HAPA | 48.3° | 60.0° |
| CAB | CAC | CAD | OAN | 120.0° | 120.0° |
| CAB | CAC | CAD | HAC | 118.3° | 120.0° |
| CAB | CAC | OAN | HAC | 120.7° | 120.0° |
| CAB | CAC | CAD | CAE | 57.6° | 175.0° |
| CAC | CAB | HAB | HABA | 119.7° | 119.9° |
| CAB | CAC | CAD | HAD | 62.2° | 55.0° |
| CAB | CAC | CAD | HADA | 177.5° | 65.1° |
| CAB | CAC | OAN | HOAN | 180.0° | 60.1° |
| CAD | CAC | OAN | HAC | 120.9° | 120.1° |
| CAC | CAD | CAE | HAD | 119.9° | 119.9° |
| CAC | CAD | CAE | HADA | 119.9° | 120.0° |
| CAC | CAD | CAE | CAF | 66.4° | NaN° |
| CAD | CAC | CAB | HAB | 32.5° | 55.0° |
| CAD | CAC | CAB | HABA | 87.3° | 65.0° |
| CAC | CAD | HAD | HADA | 120.4° | 120.1° |
| CAC | CAD | CAE | HAE | 53.6° | 60.1° |
| CAC | CAD | CAE | HAEA | 173.6° | 60.0° |
| CAD | CAC | OAN | HOAN | 61.5° | 59.9° |
| OAN | CAC | CAD | CAE | 177.7° | 65.1° |
| OAN | CAC | CAB | HAB | 152.6° | 174.9° |
| OAN | CAC | CAB | HABA | 32.8° | 55.0° |
| OAN | CAC | CAD | HAD | 57.8° | 175.0° |
| OAN | CAC | CAD | HADA | 62.5° | 54.9° |
| CAD | CAE | CAF | HAE | 119.9° | 119.9° |
| CAD | CAE | CAF | HAEA | 120.0° | 120.0° |
| CAD | CAE | CAF | CAG | 164.4° | 180.0° |
| CAE | CAD | CAC | HAC | 60.7° | 55.0° |
| CAE | CAD | HAD | HADA | 120.4° | 120.0° |
| CAD | CAE | HAE | HAEA | 120.1° | 120.0° |
| CAD | CAE | CAF | HAF | 44.2° | 60.1° |
| CAD | CAE | CAF | HAFA | 75.4° | 60.0° |
| CAE | CAF | CAG | HAF | 120.2° | 120.0° |
| CAE | CAF | CAG | HAFA | 120.2° | 120.0° |
| CAE | CAF | CAG | CAH | 4.4° | 180.0° |
| CAF | CAE | CAD | HAD | 173.7° | 60.1° |
| CAF | CAE | CAD | HADA | 53.5° | 60.0° |
| CAF | CAE | HAE | HAEA | 120.1° | 120.1° |
| CAE | CAF | HAF | HAFA | 119.4° | 120.1° |
| CAE | CAF | CAG | HAG | 116.2° | 60.0° |
| CAE | CAF | CAG | HAGA | 125.0° | 60.0° |
| CAF | CAG | CAH | HAG | 120.6° | 120.0° |
| CAF | CAG | CAH | HAGA | 120.6° | 120.0° |
| CAF | CAG | CAH | CAI | 93.1° | 180.0° |
| CAG | CAF | CAE | HAE | 75.7° | 60.1° |
| CAG | CAF | CAE | HAEA | 44.4° | 60.1° |
| CAG | CAF | HAF | HAFA | 119.3° | 120.0° |
| CAF | CAG | HAG | HAGA | 118.1° | 120.1° |
| CAF | CAG | CAH | HAH | 146.3° | 60.0° |
| CAF | CAG | CAH | HAHA | 27.5° | 60.0° |
| CAG | CAH | CAI | HAH | 120.6° | 119.9° |
| CAG | CAH | CAI | HAHA | 120.6° | 120.0° |
| CAG | CAH | CAI | CAJ | 119.4° | NaN° |
| CAH | CAG | CAF | HAF | 124.6° | 60.0° |
| CAH | CAG | CAF | HAFA | 115.8° | 60.0° |
| CAH | CAG | HAG | HAGA | 118.2° | 119.9° |
| CAG | CAH | HAH | HAHA | 118.2° | 119.9° |
| CAG | CAH | CAI | HAI | 120.2° | 60.1° |
| CAG | CAH | CAI | HAIA | 0.9° | 60.0° |
| CAH | CAI | CAJ | HAI | 120.4° | 120.0° |
| CAH | CAI | CAJ | HAIA | 120.3° | 120.1° |
| CAI | CAH | CAG | HAG | 27.5° | 60.0° |
| CAI | CAH | CAG | HAGA | 146.3° | 59.9° |
| CAI | CAH | HAH | HAHA | 118.3° | 120.1° |
| CAH | CAI | HAI | HAIA | 119.0° | 120.1° |
| CAH | CAI | CAJ | HAJ | 180.0° | 179.9° |
| CAH | CAI | CAJ | HAJA | 60.0° | 60.0° |
| CAH | CAI | CAJ | HAJB | 60.0° | 59.9° |
| CAJ | CAI | CAH | HAH | 1.1° | 60.1° |
| CAJ | CAI | CAH | HAHA | 120.0° | 60.0° |
| CAJ | CAI | HAI | HAIA | 119.0° | 119.9° |
| CAI | CAJ | HAJ | HAJA | 120.0° | 120.0° |
| CAI | CAJ | HAJ | HAJB | 120.0° | 120.0° |
| CAI | CAJ | HAJA | HAJB | 120.0° | 119.9° |
| SAO | CAP | CAQ | HAP | 121.0° | 120.0° |
| SAO | CAP | CAQ | HAPA | 121.0° | 120.0° |
| SAO | CAP | CAQ | NAR | 155.4° | 180.0° |
| SAO | CAP | HAP | HAPA | 116.8° | 120.0° |
| SAO | CAP | CAQ | HAQ | 35.2° | 60.0° |
| SAO | CAP | CAQ | HAQA | 84.3° | 60.0° |
| CAP | CAQ | NAR | HAQ | 120.2° | 120.0° |
| CAP | CAQ | NAR | HAQA | 120.2° | 120.0° |
| CAP | CAQ | NAR | CAS | 64.9° | 180.0° |
| CAQ | CAP | HAP | HAPA | 116.8° | 120.0° |
| CAP | CAQ | HAQ | HAQA | 119.3° | 120.0° |
| CAP | CAQ | NAR | HNAR | 115.1° | 0.1° |
| CAQ | NAR | CAS | HNAR | 180.0° | 179.9° |
| CAQ | NAR | CAS | CAT | 179.9° | 180.0° |
| CAQ | NAR | CAS | OAY | 3.4° | 0.0° |
| NAR | CAQ | CAP | HAP | 83.6° | 60.1° |
| NAR | CAQ | CAP | HAPA | 34.4° | 60.0° |
| NAR | CAQ | HAQ | HAQA | 119.3° | 120.0° |
| NAR | CAS | CAT | OAY | 177.0° | 180.0° |
| CAS | NAR | CAQ | HAQ | 174.9° | 60.0° |
| CAS | NAR | CAQ | HAQA | 55.3° | 60.0° |
| NAR | CAS | CAT | HAT | 177.0° | 0.0° |
| NAR | CAS | CAT | HATA | 63.0° | 120.0° |
| NAR | CAS | CAT | HATB | 57.0° | 120.0° |
| CAT | CAS | NAR | HNAR | 0.1° | 0.0° |
| CAS | CAT | HAT | HATA | 120.0° | 120.0° |
| CAS | CAT | HAT | HATB | 120.0° | 120.0° |
| CAS | CAT | HATA | HATB | 120.0° | 120.0° |
| OAY | CAS | NAR | HNAR | 176.7° | 179.9° |
| OAY | CAS | CAT | HAT | 0.0° | 179.9° |
| OAY | CAS | CAT | HATA | 120.0° | 60.1° |
| OAY | CAS | CAT | HATB | 120.0° | 60.0° |
| HAB | CAB | CAC | HAC | 85.9° | 65.0° |
| HABA | CAB | CAC | HAC | 154.3° | 175.0° |
| HAC | CAC | CAD | HAD | 179.4° | 64.9° |
| HAC | CAC | CAD | HADA | 59.2° | 175.0° |
| HAC | CAC | OAN | HOAN | 59.3° | 180.0° |
| HAD | CAD | CAE | HAE | 66.3° | NaN° |
| HAD | CAD | CAE | HAEA | 53.8° | 59.9° |
| HADA | CAD | CAE | HAE | 173.4° | 59.9° |
| HADA | CAD | CAE | HAEA | 66.5° | 180.0° |
| HAE | CAE | CAF | HAF | 164.1° | 180.0° |
| HAE | CAE | CAF | HAFA | 44.5° | 59.9° |
| HAEA | CAE | CAF | HAF | 75.8° | 59.9° |
| HAEA | CAE | CAF | HAFA | 164.6° | 180.0° |
| HAF | CAF | CAG | HAG | 4.0° | 180.0° |
| HAF | CAF | CAG | HAGA | 114.8° | 60.0° |
| HAFA | CAF | CAG | HAG | 123.6° | 59.9° |
| HAFA | CAF | CAG | HAGA | 4.8° | 180.0° |
| HAG | CAG | CAH | HAH | 93.1° | 180.0° |
| HAG | CAG | CAH | HAHA | 148.0° | 60.0° |
| HAGA | CAG | CAH | HAH | 25.8° | 60.1° |
| HAGA | CAG | CAH | HAHA | 93.1° | 180.0° |
| HAH | CAH | CAI | HAI | 119.2° | 180.0° |
| HAH | CAH | CAI | HAIA | 121.4° | 60.0° |
| HAHA | CAH | CAI | HAI | 0.4° | 60.0° |
| HAHA | CAH | CAI | HAIA | 119.7° | 180.0° |
| HAI | CAI | CAJ | HAJ | 59.6° | 60.0° |
| HAI | CAI | CAJ | HAJA | 179.6° | 180.0° |
| HAI | CAI | CAJ | HAJB | 60.3° | 60.1° |
| HAIA | CAI | CAJ | HAJ | 59.7° | 60.0° |
| HAIA | CAI | CAJ | HAJA | 60.3° | 60.1° |
| HAIA | CAI | CAJ | HAJB | 179.6° | 180.0° |
| HAJ | CAJ | HAJA | HAJB | 120.0° | 120.0° |
| HAP | CAP | CAQ | HAQ | 156.2° | 180.0° |
| HAP | CAP | CAQ | HAQA | 36.7° | 60.0° |
| HAPA | CAP | CAQ | HAQ | 85.8° | 60.0° |
| HAPA | CAP | CAQ | HAQA | 154.6° | 180.0° |
| HAQ | CAQ | NAR | HNAR | 5.1° | 120.1° |
| HAQA | CAQ | NAR | HNAR | 124.7° | 119.9° |
| HAT | CAT | HATA | HATB | 120.0° | 120.0° |
