AYC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAD | CAQ | doub | 1.21Å | 1.23Å | |
| CAQ | CAB | sing | 1.51Å | 1.50Å | |
| CAQ | NAP | sing | 1.35Å | 1.34Å | |
| NAP | CAR | sing | 1.47Å | 1.47Å | |
| CAR | CAA | sing | 1.53Å | 1.51Å | |
| CAR | CAU | sing | 1.51Å | 1.53Å | |
| CAU | CAM | sing | 1.51Å | 1.50Å | |
| CAU | OXT | doub | 1.21Å | 1.29Å | |
| CAM | CAL | sing | 1.53Å | 1.56Å | |
| CAL | CAS | sing | 1.51Å | 1.53Å | |
| CAS | OAG | sing | 1.34Å | 1.25Å | |
| CAS | OAE | doub | 1.21Å | 1.22Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| CAR | HAR | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAD | CAQ | CAB | 120.5° | 120.0° |
| OAD | CAQ | NAP | 126.3° | 120.0° |
| CAB | CAQ | NAP | 113.0° | 120.0° |
| CAQ | CAB | HAB1 | 109.5° | 109.5° |
| CAQ | CAB | HAB2 | 109.5° | 109.5° |
| CAQ | CAB | HAB3 | 109.5° | 109.5° |
| CAQ | NAP | CAR | 128.2° | 120.0° |
| CAQ | NAP | HAP | 115.9° | 120.0° |
| NAP | CAR | CAA | 114.2° | 109.5° |
| NAP | CAR | CAU | 115.9° | 109.4° |
| CAR | NAP | HAP | 115.9° | 120.0° |
| NAP | CAR | HAR | 103.1° | 109.5° |
| CAA | CAR | CAU | 115.3° | 109.5° |
| CAA | CAR | HAR | 104.0° | 109.4° |
| CAR | CAA | HAA1 | 109.5° | 109.5° |
| CAR | CAA | HAA2 | 109.5° | 109.4° |
| CAR | CAA | HAA3 | 109.4° | 109.4° |
| CAR | CAU | CAM | 116.4° | 120.0° |
| CAR | CAU | OXT | 121.1° | 120.0° |
| CAU | CAR | HAR | 101.6° | 109.5° |
| CAM | CAU | OXT | 122.4° | 120.0° |
| CAU | CAM | CAL | 109.6° | 109.5° |
| CAU | CAM | HAM1 | 109.4° | 109.5° |
| CAU | CAM | HAM2 | 109.4° | 109.5° |
| CAM | CAL | CAS | 111.3° | 109.5° |
| CAL | CAM | HAM1 | 109.4° | 109.5° |
| CAL | CAM | HAM2 | 109.4° | 109.5° |
| CAM | CAL | HAL1 | 108.9° | 109.4° |
| CAM | CAL | HAL2 | 108.4° | 109.5° |
| CAL | CAS | OAG | 122.4° | 120.0° |
| CAL | CAS | OAE | 115.5° | 120.0° |
| CAS | CAL | HAL1 | 108.9° | 109.4° |
| CAS | CAL | HAL2 | 108.5° | 109.5° |
| OAG | CAS | OAE | 122.0° | 120.0° |
| CAS | OAG | HAG | 109.5° | 117.0° |
| HAB1 | CAB | HAB2 | 109.4° | 109.4° |
| HAB1 | CAB | HAB3 | 109.4° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.4° |
| HAM1 | CAM | HAM2 | 109.6° | 109.5° |
| HAL1 | CAL | HAL2 | 110.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAD | CAQ | CAB | NAP | 175.0° | 179.7° |
| OAD | CAQ | NAP | CAR | 7.1° | 0.0° |
| OAD | CAQ | CAB | HAB1 | 124.9° | 90.0° |
| OAD | CAQ | CAB | HAB2 | 4.9° | 150.0° |
| OAD | CAQ | CAB | HAB3 | 115.1° | 30.0° |
| OAD | CAQ | NAP | HAP | 172.9° | 180.0° |
| CAB | CAQ | NAP | CAR | 178.2° | 179.7° |
| CAQ | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| CAQ | CAB | HAB1 | HAB3 | 120.0° | 120.1° |
| CAQ | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAB | CAQ | NAP | HAP | 1.8° | 0.3° |
| CAQ | NAP | CAR | HAP | 180.0° | 180.0° |
| CAQ | NAP | CAR | CAA | 114.3° | 85.0° |
| CAQ | NAP | CAR | CAU | 23.4° | 155.0° |
| NAP | CAQ | CAB | HAB1 | 50.1° | 89.7° |
| NAP | CAQ | CAB | HAB2 | 170.1° | 30.3° |
| NAP | CAQ | CAB | HAB3 | 69.9° | 150.3° |
| CAQ | NAP | CAR | HAR | 133.5° | 35.0° |
| NAP | CAR | CAA | CAU | 138.0° | 120.0° |
| NAP | CAR | CAA | HAR | 111.6° | 120.0° |
| NAP | CAR | CAU | HAR | 111.0° | 120.0° |
| NAP | CAR | CAU | CAM | 64.7° | 160.0° |
| NAP | CAR | CAU | OXT | 118.1° | 20.0° |
| NAP | CAR | CAA | HAA1 | 165.3° | 180.0° |
| NAP | CAR | CAA | HAA2 | 45.3° | 60.0° |
| NAP | CAR | CAA | HAA3 | 74.7° | 60.0° |
| CAA | CAR | CAU | HAR | 111.8° | 120.0° |
| CAA | CAR | CAU | CAM | 158.1° | 80.0° |
| CAA | CAR | CAU | OXT | 19.1° | 100.0° |
| CAA | CAR | NAP | HAP | 65.7° | 95.0° |
| CAR | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAR | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAR | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| CAR | CAU | CAM | OXT | 177.2° | 179.9° |
| CAR | CAU | CAM | CAL | 95.1° | 180.0° |
| CAU | CAR | NAP | HAP | 156.6° | 25.0° |
| CAU | CAR | CAA | HAA1 | 27.3° | 60.0° |
| CAU | CAR | CAA | HAA2 | 92.7° | 60.0° |
| CAU | CAR | CAA | HAA3 | 147.3° | 179.9° |
| CAR | CAU | CAM | HAM1 | 24.9° | 60.0° |
| CAR | CAU | CAM | HAM2 | 145.0° | 60.0° |
| CAU | CAM | CAL | HAM1 | 120.0° | 120.0° |
| CAU | CAM | CAL | HAM2 | 119.9° | 120.0° |
| CAU | CAM | CAL | CAS | 171.9° | 180.0° |
| CAM | CAU | CAR | HAR | 46.3° | 40.0° |
| CAU | CAM | HAM1 | HAM2 | 119.9° | 120.0° |
| CAU | CAM | CAL | HAL1 | 51.9° | 60.0° |
| CAU | CAM | CAL | HAL2 | 68.9° | 60.0° |
| OXT | CAU | CAM | CAL | 82.0° | 0.0° |
| OXT | CAU | CAR | HAR | 130.9° | 140.1° |
| OXT | CAU | CAM | HAM1 | 158.0° | 120.0° |
| OXT | CAU | CAM | HAM2 | 37.9° | 120.0° |
| CAM | CAL | CAS | HAL1 | 120.0° | 119.9° |
| CAM | CAL | CAS | HAL2 | 119.2° | 120.0° |
| CAM | CAL | CAS | OAG | 10.0° | 180.0° |
| CAM | CAL | CAS | OAE | 170.2° | 0.1° |
| CAL | CAM | HAM1 | HAM2 | 119.9° | 120.0° |
| CAM | CAL | HAL1 | HAL2 | 119.2° | 120.0° |
| CAL | CAS | OAG | OAE | 179.7° | 179.9° |
| CAS | CAL | CAM | HAM1 | 68.1° | 60.0° |
| CAS | CAL | CAM | HAM2 | 52.0° | 59.9° |
| CAS | CAL | HAL1 | HAL2 | 119.3° | 120.1° |
| CAL | CAS | OAG | HAG | 179.7° | 180.0° |
| OAG | CAS | CAL | HAL1 | 110.0° | 60.1° |
| OAG | CAS | CAL | HAL2 | 129.2° | 59.9° |
| OAE | CAS | CAL | HAL1 | 69.8° | 120.0° |
| OAE | CAS | CAL | HAL2 | 51.0° | 119.9° |
| OAE | CAS | OAG | HAG | 0.0° | 0.1° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
| HAP | NAP | CAR | HAR | 46.5° | 145.0° |
| HAR | CAR | CAA | HAA1 | 83.0° | 60.0° |
| HAR | CAR | CAA | HAA2 | 156.9° | 180.0° |
| HAR | CAR | CAA | HAA3 | 36.9° | 60.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HAM1 | CAM | CAL | HAL1 | 171.9° | 180.0° |
| HAM1 | CAM | CAL | HAL2 | 51.1° | 60.0° |
| HAM2 | CAM | CAL | HAL1 | 68.0° | 60.0° |
| HAM2 | CAM | CAL | HAL2 | 171.2° | 180.0° |
