27P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAS | sing | 1.54Å | 1.52Å | |
| CAR | NAA | sing | 1.49Å | 1.46Å | |
| CAS | CAU | sing | 1.54Å | 1.53Å | |
| CAU | CAT | sing | 1.54Å | 1.54Å | |
| CAT | NAA | sing | 1.49Å | 1.48Å | |
| NAA | CAB | sing | 1.47Å | 1.48Å | |
| CAB | CAC | sing | 1.53Å | 1.52Å | |
| CAC | OAD | sing | 1.43Å | 1.43Å | |
| OAD | CAE | sing | 1.36Å | 1.36Å | |
| CAE | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
| CAJ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | sing | 1.38Å | 1.38Å | Aromatic |
| CAH | CAK | sing | 1.51Å | 1.54Å | |
| CAK | CAL | sing | 1.51Å | 1.53Å | |
| CAL | CAM | doub | 1.38Å | 1.38Å | Aromatic |
| CAL | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAR | HARA | sing | 1.09Å | 1.10Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAU | HAUA | sing | 1.09Å | 1.10Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | HATA | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.09Å | 1.10Å | |
| CAB | HABA | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.09Å | 1.10Å | |
| CAC | HACA | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | CAR | NAA | 104.6° | 104.6° |
| CAR | CAS | CAU | 103.1° | 105.1° |
| CAS | CAR | HAR | 111.2° | 110.4° |
| CAS | CAR | HARA | 112.2° | 110.4° |
| CAR | CAS | HAS | 111.6° | 110.3° |
| CAR | CAS | HASA | 113.0° | 110.3° |
| CAR | NAA | CAT | 103.0° | 104.2° |
| CAR | NAA | CAB | 107.3° | 111.0° |
| NAA | CAR | HAR | 111.1° | 110.4° |
| NAA | CAR | HARA | 112.2° | 110.4° |
| CAS | CAU | CAT | 105.0° | 105.0° |
| CAU | CAS | HAS | 111.7° | 110.3° |
| CAU | CAS | HASA | 113.0° | 110.3° |
| CAS | CAU | HAU | 111.0° | 110.4° |
| CAS | CAU | HAUA | 112.0° | 110.3° |
| CAU | CAT | NAA | 105.6° | 104.6° |
| CAT | CAU | HAU | 111.0° | 110.3° |
| CAT | CAU | HAUA | 112.0° | 110.3° |
| CAU | CAT | HAT | 110.8° | 110.3° |
| CAU | CAT | HATA | 111.6° | 110.5° |
| CAT | NAA | CAB | 114.6° | 111.0° |
| NAA | CAT | HAT | 110.8° | 110.4° |
| NAA | CAT | HATA | 111.6° | 110.4° |
| NAA | CAB | CAC | 114.5° | 109.5° |
| NAA | CAB | HAB | 107.8° | 109.4° |
| NAA | CAB | HABA | 106.7° | 109.5° |
| CAB | CAC | OAD | 104.5° | 109.5° |
| CAC | CAB | HAB | 107.9° | 109.5° |
| CAC | CAB | HABA | 106.7° | 109.5° |
| CAB | CAC | HAC | 111.1° | 109.5° |
| CAB | CAC | HACA | 112.2° | 109.5° |
| CAC | OAD | CAE | 118.1° | 117.0° |
| OAD | CAC | HAC | 111.1° | 109.4° |
| OAD | CAC | HACA | 112.2° | 109.5° |
| OAD | CAE | CAJ | 119.1° | 120.0° |
| OAD | CAE | CAF | 122.0° | 120.1° |
| CAJ | CAE | CAF | 118.8° | 119.9° |
| CAE | CAJ | CAI | 120.5° | 120.0° |
| CAE | CAJ | HAJ | 119.8° | 120.0° |
| CAE | CAF | CAG | 120.4° | 119.9° |
| CAE | CAF | HAF | 119.8° | 120.0° |
| CAJ | CAI | CAH | 120.4° | 120.1° |
| CAI | CAJ | HAJ | 119.7° | 120.0° |
| CAJ | CAI | HAI | 119.8° | 120.0° |
| CAI | CAH | CAG | 119.5° | 120.1° |
| CAI | CAH | CAK | 120.0° | 119.9° |
| CAH | CAI | HAI | 119.8° | 119.9° |
| CAF | CAG | CAH | 120.2° | 120.1° |
| CAG | CAF | HAF | 119.8° | 120.1° |
| CAF | CAG | HAG | 119.9° | 119.9° |
| CAG | CAH | CAK | 120.4° | 120.0° |
| CAH | CAG | HAG | 119.9° | 120.0° |
| CAH | CAK | CAL | 115.6° | 109.5° |
| CAH | CAK | HAK | 107.5° | 109.5° |
| CAH | CAK | HAKA | 106.1° | 109.5° |
| CAK | CAL | CAM | 119.7° | 120.0° |
| CAK | CAL | CAQ | 122.1° | 120.0° |
| CAL | CAK | HAK | 107.5° | 109.5° |
| CAL | CAK | HAKA | 106.1° | 109.5° |
| CAM | CAL | CAQ | 118.2° | 120.0° |
| CAL | CAM | CAN | 122.1° | 120.0° |
| CAL | CAM | HAM | 119.0° | 120.0° |
| CAL | CAQ | CAP | 119.9° | 120.0° |
| CAL | CAQ | HAQ | 120.1° | 120.0° |
| CAM | CAN | CAO | 119.7° | 120.0° |
| CAN | CAM | HAM | 118.9° | 120.0° |
| CAM | CAN | HAN | 120.1° | 120.0° |
| CAN | CAO | CAP | 118.5° | 120.0° |
| CAO | CAN | HAN | 120.1° | 120.0° |
| CAN | CAO | HAO | 120.7° | 120.0° |
| CAO | CAP | CAQ | 121.5° | 120.0° |
| CAP | CAO | HAO | 120.8° | 120.0° |
| CAO | CAP | HAP | 119.2° | 119.9° |
| CAQ | CAP | HAP | 119.2° | 120.1° |
| CAP | CAQ | HAQ | 120.1° | 120.0° |
| HAR | CAR | HARA | 105.7° | 110.5° |
| HAS | CAS | HASA | 104.7° | 110.4° |
| HAU | CAU | HAUA | 106.1° | 110.4° |
| HAT | CAT | HATA | 106.5° | 110.5° |
| HAB | CAB | HABA | 113.4° | 109.5° |
| HAC | CAC | HACA | 105.7° | 109.5° |
| HAK | CAK | HAKA | 114.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | CAR | NAA | HAR | 120.0° | 118.7° |
| CAS | CAR | NAA | HARA | 121.8° | 118.7° |
| CAR | CAS | CAU | HAS | 120.0° | 118.9° |
| CAR | CAS | CAU | HASA | 122.3° | 118.9° |
| CAR | CAS | CAU | CAT | 12.9° | 0.1° |
| CAS | CAR | NAA | CAT | 44.3° | 39.5° |
| CAS | CAR | NAA | CAB | 165.6° | 159.1° |
| CAS | CAR | HAR | HARA | 122.0° | 122.4° |
| CAR | CAS | HAS | HASA | 122.6° | 122.2° |
| CAR | CAS | CAU | HAU | 132.9° | 118.9° |
| CAR | CAS | CAU | HAUA | 108.8° | 118.9° |
| NAA | CAR | CAS | CAU | 35.3° | 23.8° |
| CAR | NAA | CAT | CAU | 35.4° | 39.5° |
| CAR | NAA | CAT | CAB | 116.3° | 119.6° |
| CAR | NAA | CAB | CAC | 170.2° | 170.0° |
| NAA | CAR | HAR | HARA | 122.0° | 122.5° |
| NAA | CAR | CAS | HAS | 84.7° | 95.0° |
| NAA | CAR | CAS | HASA | 157.6° | 142.8° |
| CAR | NAA | CAT | HAT | 155.4° | 158.2° |
| CAR | NAA | CAT | HATA | 86.1° | 79.3° |
| CAR | NAA | CAB | HAB | 50.2° | 70.0° |
| CAR | NAA | CAB | HABA | 72.0° | 49.9° |
| CAS | CAU | CAT | HAU | 120.0° | 119.0° |
| CAS | CAU | CAT | HAUA | 121.7° | 118.8° |
| CAS | CAU | CAT | NAA | 13.3° | 23.9° |
| CAU | CAS | CAR | HAR | 84.7° | 94.9° |
| CAU | CAS | CAR | HARA | 157.1° | 142.6° |
| CAU | CAS | HAS | HASA | 122.6° | 122.2° |
| CAS | CAU | HAU | HAUA | 121.8° | 122.2° |
| CAS | CAU | CAT | HAT | 133.3° | 142.7° |
| CAS | CAU | CAT | HATA | 108.2° | 94.9° |
| CAU | CAT | NAA | HAT | 120.0° | 118.7° |
| CAU | CAT | NAA | HATA | 121.5° | 118.9° |
| CAU | CAT | NAA | CAB | 151.6° | 159.1° |
| CAT | CAU | CAS | HAS | 107.1° | 118.9° |
| CAT | CAU | CAS | HASA | 135.3° | 118.9° |
| CAT | CAU | HAU | HAUA | 121.8° | 122.1° |
| CAU | CAT | HAT | HATA | 121.6° | 122.4° |
| CAT | NAA | CAB | CAC | 56.4° | 74.6° |
| CAT | NAA | CAR | HAR | 75.8° | 79.2° |
| CAT | NAA | CAR | HARA | 166.1° | 158.2° |
| NAA | CAT | CAU | HAU | 106.7° | 95.1° |
| NAA | CAT | CAU | HAUA | 135.0° | 142.7° |
| NAA | CAT | HAT | HATA | 121.6° | 122.4° |
| CAT | NAA | CAB | HAB | 63.6° | 45.4° |
| CAT | NAA | CAB | HABA | 174.2° | 165.4° |
| NAA | CAB | CAC | HAB | 120.0° | 119.9° |
| NAA | CAB | CAC | HABA | 117.8° | 120.0° |
| NAA | CAB | CAC | OAD | 55.7° | 65.0° |
| CAB | NAA | CAR | HAR | 45.6° | 40.3° |
| CAB | NAA | CAR | HARA | 72.6° | 82.2° |
| CAB | NAA | CAT | HAT | 88.4° | 82.2° |
| CAB | NAA | CAT | HATA | 30.1° | 40.3° |
| NAA | CAB | HAB | HABA | 117.9° | 119.9° |
| NAA | CAB | CAC | HAC | 64.3° | 175.1° |
| NAA | CAB | CAC | HACA | 177.5° | 55.0° |
| CAB | CAC | OAD | HAC | 120.0° | 120.0° |
| CAB | CAC | OAD | HACA | 121.9° | 120.0° |
| CAB | CAC | OAD | CAE | 179.7° | 180.0° |
| CAC | CAB | HAB | HABA | 118.0° | 120.1° |
| CAB | CAC | HAC | HACA | 122.0° | 120.0° |
| CAC | OAD | CAE | CAJ | 171.8° | 180.0° |
| CAC | OAD | CAE | CAF | 8.2° | 0.3° |
| OAD | CAC | CAB | HAB | 175.7° | 55.0° |
| OAD | CAC | CAB | HABA | 62.1° | 175.0° |
| OAD | CAC | HAC | HACA | 122.0° | 120.0° |
| OAD | CAE | CAJ | CAF | 180.0° | 179.7° |
| OAD | CAE | CAJ | CAI | 179.7° | 180.0° |
| OAD | CAE | CAF | CAG | 179.9° | 180.0° |
| CAE | OAD | CAC | HAC | 59.7° | 60.0° |
| CAE | OAD | CAC | HACA | 58.4° | 60.0° |
| OAD | CAE | CAJ | HAJ | 0.3° | 0.0° |
| OAD | CAE | CAF | HAF | 0.1° | 0.0° |
| CAE | CAJ | CAI | HAJ | 180.0° | 180.0° |
| CAE | CAJ | CAI | CAH | 0.2° | 0.0° |
| CAJ | CAE | CAF | CAG | 0.1° | 0.3° |
| CAE | CAJ | CAI | HAI | 179.8° | 180.0° |
| CAJ | CAE | CAF | HAF | 180.0° | 179.7° |
| CAF | CAE | CAJ | CAI | 0.3° | 0.3° |
| CAE | CAF | CAG | HAF | 180.0° | 180.0° |
| CAE | CAF | CAG | CAH | 0.5° | 0.0° |
| CAF | CAE | CAJ | HAJ | 179.7° | 179.7° |
| CAE | CAF | CAG | HAG | 179.5° | 180.0° |
| CAJ | CAI | CAH | HAI | 180.0° | 180.0° |
| CAJ | CAI | CAH | CAG | 0.2° | 0.2° |
| CAJ | CAI | CAH | CAK | 178.7° | 180.0° |
| CAI | CAH | CAG | CAF | 0.6° | 0.2° |
| CAI | CAH | CAG | CAK | 178.5° | 179.8° |
| CAI | CAH | CAK | CAL | 94.2° | 90.0° |
| CAH | CAI | CAJ | HAJ | 179.8° | 180.0° |
| CAI | CAH | CAG | HAG | 179.4° | 179.7° |
| CAI | CAH | CAK | HAK | 145.7° | 150.0° |
| CAI | CAH | CAK | HAKA | 23.0° | 30.0° |
| CAF | CAG | CAH | HAG | 180.0° | 180.0° |
| CAF | CAG | CAH | CAK | 179.1° | 180.0° |
| CAG | CAH | CAK | CAL | 87.2° | 89.8° |
| CAG | CAH | CAI | HAI | 179.8° | 179.8° |
| CAH | CAG | CAF | HAF | 179.5° | 180.0° |
| CAG | CAH | CAK | HAK | 32.8° | 30.2° |
| CAG | CAH | CAK | HAKA | 155.5° | 150.2° |
| CAH | CAK | CAL | HAK | 120.0° | 120.0° |
| CAH | CAK | CAL | HAKA | 117.3° | 120.0° |
| CAH | CAK | CAL | CAM | 130.0° | 90.0° |
| CAH | CAK | CAL | CAQ | 52.5° | 90.3° |
| CAK | CAH | CAI | HAI | 1.3° | 0.0° |
| CAK | CAH | CAG | HAG | 0.9° | 0.1° |
| CAH | CAK | HAK | HAKA | 117.5° | 120.0° |
| CAK | CAL | CAM | CAQ | 177.6° | 179.7° |
| CAK | CAL | CAM | CAN | 179.8° | 180.0° |
| CAK | CAL | CAQ | CAP | 179.4° | 179.8° |
| CAL | CAK | HAK | HAKA | 117.5° | 120.0° |
| CAK | CAL | CAM | HAM | 0.2° | 0.0° |
| CAK | CAL | CAQ | HAQ | 0.6° | 0.0° |
| CAL | CAM | CAN | HAM | 180.0° | 179.9° |
| CAL | CAM | CAN | CAO | 2.1° | 0.0° |
| CAM | CAL | CAQ | CAP | 1.9° | 0.5° |
| CAM | CAL | CAK | HAK | 109.9° | 30.0° |
| CAM | CAL | CAK | HAKA | 12.8° | 150.0° |
| CAL | CAM | CAN | HAN | 177.9° | 179.9° |
| CAM | CAL | CAQ | HAQ | 178.1° | 179.7° |
| CAQ | CAL | CAM | CAN | 2.6° | 0.3° |
| CAL | CAQ | CAP | CAO | 0.8° | 0.4° |
| CAL | CAQ | CAP | HAQ | 180.0° | 179.8° |
| CAQ | CAL | CAK | HAK | 67.5° | 149.7° |
| CAQ | CAL | CAK | HAKA | 169.8° | 29.8° |
| CAQ | CAL | CAM | HAM | 177.4° | 179.8° |
| CAL | CAQ | CAP | HAP | 179.2° | 179.7° |
| CAM | CAN | CAO | HAN | 180.0° | 179.9° |
| CAM | CAN | CAO | CAP | 0.9° | 0.0° |
| CAM | CAN | CAO | HAO | 179.1° | 180.0° |
| CAN | CAO | CAP | HAO | 180.0° | 180.0° |
| CAN | CAO | CAP | CAQ | 0.3° | 0.2° |
| CAO | CAN | CAM | HAM | 177.9° | 180.0° |
| CAN | CAO | CAP | HAP | 179.7° | 180.0° |
| CAO | CAP | CAQ | HAP | 180.0° | 179.8° |
| CAP | CAO | CAN | HAN | 179.1° | 180.0° |
| CAO | CAP | CAQ | HAQ | 179.2° | 179.8° |
| CAQ | CAP | CAO | HAO | 179.7° | 179.8° |
| HAR | CAR | CAS | HAS | 155.2° | 146.2° |
| HAR | CAR | CAS | HASA | 37.6° | 24.0° |
| HARA | CAR | CAS | HAS | 37.1° | 23.8° |
| HARA | CAR | CAS | HASA | 80.6° | 98.5° |
| HAS | CAS | CAU | HAU | 12.9° | 0.0° |
| HAS | CAS | CAU | HAUA | 131.2° | 122.3° |
| HASA | CAS | CAU | HAU | 104.7° | 122.2° |
| HASA | CAS | CAU | HAUA | 13.6° | 0.1° |
| HAU | CAU | CAT | HAT | 13.3° | 23.7° |
| HAU | CAU | CAT | HATA | 131.7° | 146.1° |
| HAUA | CAU | CAT | HAT | 105.0° | 98.5° |
| HAUA | CAU | CAT | HATA | 13.4° | 23.9° |
| HAB | CAB | CAC | HAC | 55.7° | 65.0° |
| HAB | CAB | CAC | HACA | 62.5° | 175.0° |
| HABA | CAB | CAC | HAC | 177.9° | 55.0° |
| HABA | CAB | CAC | HACA | 59.7° | 65.0° |
| HAJ | CAJ | CAI | HAI | 0.2° | 0.0° |
| HAF | CAF | CAG | HAG | 0.5° | 0.0° |
| HAM | CAM | CAN | HAN | 2.1° | 0.0° |
| HAN | CAN | CAO | HAO | 0.9° | 0.0° |
| HAO | CAO | CAP | HAP | 0.3° | 0.0° |
| HAP | CAP | CAQ | HAQ | 0.8° | 0.0° |
