CY0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAF | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | CAX | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAF | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| CAE | CAG | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.09Å | 1.10Å | |
| CAG | CAJ | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAJ | CAX | doub | 1.40Å | 1.39Å | Aromatic |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAX | NAT | sing | 1.40Å | 1.34Å | |
| NAT | C6 | sing | 1.42Å | 1.36Å | |
| NAT | HAT | sing | 1.01Å | 1.02Å | |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C6 | N1 | doub | 1.35Å | 1.36Å | Aromatic |
| C5 | CAM | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| CAM | CAY | doub | 1.39Å | 1.41Å | Aromatic |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| N1 | C2 | sing | 1.34Å | 1.34Å | Aromatic |
| C2 | N3 | doub | 1.35Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| N3 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| C4 | CAL | sing | 1.39Å | 1.40Å | Aromatic |
| CAL | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAK | CAY | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAY | NAS | sing | 1.39Å | 1.36Å | |
| NAS | CAW | sing | 1.41Å | 1.37Å | |
| NAS | HAS | sing | 1.03Å | 1.02Å | |
| CAW | OAC | doub | 1.23Å | 1.24Å | |
| CAW | CAO | sing | 1.52Å | 1.54Å | |
| CAO | CAN | sing | 1.52Å | 1.56Å | |
| CAO | HAO1 | sing | 1.10Å | 1.11Å | |
| CAO | HAO2 | sing | 1.10Å | 1.12Å | |
| CAN | SAU | sing | 1.81Å | 1.86Å | |
| CAN | HAN1 | sing | 1.10Å | 1.11Å | |
| CAN | HAN2 | sing | 1.09Å | 1.11Å | |
| SAU | CB | sing | 1.81Å | 1.79Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | HBC1 | sing | 1.10Å | 1.11Å | |
| CB | HBC2 | sing | 1.10Å | 1.11Å | |
| CA | C | sing | 1.52Å | 1.49Å | |
| CA | N | sing | 1.44Å | 1.46Å | |
| CA | HA | sing | 1.10Å | 1.12Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | OXT | sing | 1.35Å | 1.33Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2 | sing | 1.01Å | 1.02Å | |
| OXT | HOT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAI | CAX | 119.9° | 120.3° |
| CAF | CAI | HAI | 120.1° | 119.4° |
| CAI | CAF | CAE | 120.9° | 120.0° |
| CAI | CAF | HAF | 119.6° | 120.0° |
| CAX | CAI | HAI | 120.0° | 120.4° |
| CAI | CAX | CAJ | 119.0° | 119.5° |
| CAI | CAX | NAT | 121.9° | 120.2° |
| CAE | CAF | HAF | 119.6° | 120.0° |
| CAF | CAE | CAG | 119.3° | 120.0° |
| CAF | CAE | HAE | 120.4° | 120.0° |
| CAG | CAE | HAE | 120.4° | 120.0° |
| CAE | CAG | CAJ | 119.8° | 120.0° |
| CAE | CAG | HAG | 120.1° | 120.0° |
| CAJ | CAG | HAG | 120.1° | 120.0° |
| CAG | CAJ | CAX | 121.2° | 120.3° |
| CAG | CAJ | HAJ | 119.4° | 119.4° |
| CAX | CAJ | HAJ | 119.4° | 120.3° |
| CAJ | CAX | NAT | 119.1° | 120.3° |
| CAX | NAT | C6 | 124.6° | 132.4° |
| CAX | NAT | HAT | 117.7° | 114.3° |
| C6 | NAT | HAT | 117.7° | 113.3° |
| NAT | C6 | C5 | 119.2° | 119.4° |
| NAT | C6 | N1 | 122.9° | 116.7° |
| C5 | C6 | N1 | 117.9° | 124.0° |
| C6 | C5 | CAM | 120.5° | 122.9° |
| C6 | C5 | C4 | 119.3° | 116.1° |
| C6 | N1 | C2 | 121.3° | 114.6° |
| CAM | C5 | C4 | 120.1° | 121.0° |
| C5 | CAM | CAY | 120.7° | 120.0° |
| C5 | CAM | HAM | 119.7° | 121.1° |
| C5 | C4 | N3 | 119.0° | 121.5° |
| C5 | C4 | CAL | 120.0° | 117.8° |
| CAY | CAM | HAM | 119.7° | 118.8° |
| CAM | CAY | CAK | 118.3° | 119.5° |
| CAM | CAY | NAS | 122.6° | 120.3° |
| N1 | C2 | N3 | 121.7° | 127.1° |
| N1 | C2 | H2 | 119.2° | 116.5° |
| N3 | C2 | H2 | 119.1° | 116.4° |
| C2 | N3 | C4 | 120.8° | 116.7° |
| N3 | C4 | CAL | 121.0° | 120.7° |
| C4 | CAL | CAK | 119.5° | 121.6° |
| C4 | CAL | HAL | 120.3° | 119.8° |
| CAK | CAL | HAL | 120.2° | 118.7° |
| CAL | CAK | CAY | 121.3° | 120.1° |
| CAL | CAK | HAK | 119.4° | 119.3° |
| CAY | CAK | HAK | 119.3° | 120.7° |
| CAK | CAY | NAS | 118.6° | 120.2° |
| CAY | NAS | CAW | 126.4° | 128.2° |
| CAY | NAS | HAS | 116.8° | 116.3° |
| CAW | NAS | HAS | 116.8° | 115.5° |
| NAS | CAW | OAC | 126.2° | 126.7° |
| NAS | CAW | CAO | 115.1° | 111.2° |
| OAC | CAW | CAO | 118.7° | 122.1° |
| CAW | CAO | CAN | 108.5° | 112.2° |
| CAW | CAO | HAO1 | 112.6° | 107.7° |
| CAW | CAO | HAO2 | 112.6° | 107.8° |
| CAN | CAO | HAO1 | 112.6° | 110.5° |
| CAN | CAO | HAO2 | 112.6° | 110.3° |
| CAO | CAN | SAU | 117.2° | 110.7° |
| CAO | CAN | HAN1 | 109.4° | 110.7° |
| CAO | CAN | HAN2 | 109.4° | 110.7° |
| HAO1 | CAO | HAO2 | 97.8° | 108.2° |
| SAU | CAN | HAN1 | 109.4° | 108.6° |
| SAU | CAN | HAN2 | 109.4° | 108.5° |
| CAN | SAU | CB | 102.5° | 98.4° |
| HAN1 | CAN | HAN2 | 100.7° | 107.6° |
| SAU | CB | CA | 111.0° | 113.8° |
| SAU | CB | HBC1 | 111.6° | 107.3° |
| SAU | CB | HBC2 | 111.7° | 107.6° |
| CA | CB | HBC1 | 111.6° | 109.8° |
| CA | CB | HBC2 | 111.6° | 110.4° |
| CB | CA | C | 97.9° | 112.4° |
| CB | CA | N | 105.9° | 111.9° |
| CB | CA | HA | 113.6° | 108.8° |
| HBC1 | CB | HBC2 | 98.8° | 107.6° |
| C | CA | N | 111.0° | 111.9° |
| C | CA | HA | 113.6° | 106.1° |
| CA | C | O | 120.0° | 123.8° |
| CA | C | OXT | 117.0° | 113.3° |
| N | CA | HA | 113.6° | 105.2° |
| CA | N | HN1 | 111.6° | 119.0° |
| CA | N | HN2 | 111.5° | 119.0° |
| O | C | OXT | 122.9° | 123.0° |
| C | OXT | HOT | 109.5° | 111.9° |
| HN1 | N | HN2 | 98.9° | 120.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAI | CAX | HAI | 180.0° | 180.0° |
| CAI | CAF | CAE | HAF | 180.0° | 180.0° |
| CAI | CAF | CAE | CAG | 0.2° | 0.1° |
| CAI | CAF | CAE | HAE | 179.8° | 179.9° |
| CAF | CAI | CAX | CAJ | 0.7° | 0.1° |
| CAF | CAI | CAX | NAT | 179.2° | 180.0° |
| CAX | CAI | CAF | CAE | 0.8° | 0.0° |
| CAX | CAI | CAF | HAF | 179.2° | 180.0° |
| CAI | CAX | CAJ | CAG | 0.1° | 0.0° |
| CAI | CAX | CAJ | NAT | 179.9° | 179.9° |
| CAI | CAX | CAJ | HAJ | 179.9° | 180.0° |
| CAI | CAX | NAT | C6 | 43.2° | 180.0° |
| CAI | CAX | NAT | HAT | 136.8° | 0.0° |
| HAI | CAI | CAF | CAE | 179.3° | 180.0° |
| HAI | CAI | CAF | HAF | 0.8° | 0.0° |
| HAI | CAI | CAX | CAJ | 179.3° | 180.0° |
| HAI | CAI | CAX | NAT | 0.8° | 0.1° |
| CAF | CAE | CAG | HAE | 180.0° | 179.9° |
| CAF | CAE | CAG | CAJ | 0.3° | 0.1° |
| CAF | CAE | CAG | HAG | 179.7° | 180.0° |
| HAF | CAF | CAE | CAG | 179.7° | 180.0° |
| HAF | CAF | CAE | HAE | 0.3° | 0.1° |
| CAE | CAG | CAJ | HAG | 180.0° | 180.0° |
| CAE | CAG | CAJ | CAX | 0.4° | 0.0° |
| CAE | CAG | CAJ | HAJ | 179.6° | 179.9° |
| HAE | CAE | CAG | CAJ | 179.7° | 179.9° |
| HAE | CAE | CAG | HAG | 0.3° | 0.1° |
| CAG | CAJ | CAX | HAJ | 180.0° | 180.0° |
| CAG | CAJ | CAX | NAT | 179.8° | 180.0° |
| HAG | CAG | CAJ | CAX | 179.6° | 180.0° |
| HAG | CAG | CAJ | HAJ | 0.4° | 0.0° |
| CAJ | CAX | NAT | C6 | 136.7° | 0.1° |
| CAJ | CAX | NAT | HAT | 43.3° | 180.0° |
| HAJ | CAJ | CAX | NAT | 0.2° | 0.1° |
| CAX | NAT | C6 | HAT | 180.0° | 179.9° |
| CAX | NAT | C6 | C5 | 170.8° | 150.0° |
| CAX | NAT | C6 | N1 | 9.4° | 29.9° |
| NAT | C6 | C5 | N1 | 179.8° | 180.0° |
| NAT | C6 | C5 | CAM | 0.1° | 0.0° |
| NAT | C6 | C5 | C4 | 179.4° | 180.0° |
| NAT | C6 | N1 | C2 | 179.7° | 180.0° |
| HAT | NAT | C6 | C5 | 9.2° | 30.0° |
| HAT | NAT | C6 | N1 | 170.6° | 150.0° |
| C6 | C5 | CAM | C4 | 179.5° | 180.0° |
| C6 | C5 | CAM | CAY | 178.3° | 179.9° |
| C6 | C5 | CAM | HAM | 1.7° | 0.0° |
| C5 | C6 | N1 | C2 | 0.5° | 0.0° |
| C6 | C5 | C4 | N3 | 0.4° | 0.0° |
| C6 | C5 | C4 | CAL | 179.9° | 180.0° |
| N1 | C6 | C5 | CAM | 179.7° | 180.0° |
| N1 | C6 | C5 | C4 | 0.8° | 0.0° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| C6 | N1 | C2 | H2 | 179.7° | 179.9° |
| C5 | CAM | CAY | HAM | 180.0° | 179.9° |
| CAM | C5 | C4 | N3 | 179.9° | 180.0° |
| CAM | C5 | C4 | CAL | 0.5° | 0.0° |
| C5 | CAM | CAY | CAK | 3.0° | 0.1° |
| C5 | CAM | CAY | NAS | 175.0° | 180.0° |
| C4 | C5 | CAM | CAY | 1.1° | 0.1° |
| C4 | C5 | CAM | HAM | 178.9° | 180.0° |
| C5 | C4 | N3 | C2 | 0.3° | 0.0° |
| C5 | C4 | N3 | CAL | 179.6° | 180.0° |
| C5 | C4 | CAL | CAK | 0.1° | 0.0° |
| C5 | C4 | CAL | HAL | 179.9° | 180.0° |
| CAM | CAY | CAK | CAL | 3.5° | 0.1° |
| CAM | CAY | CAK | NAS | 172.3° | 180.0° |
| CAM | CAY | CAK | HAK | 176.5° | 180.0° |
| CAM | CAY | NAS | CAW | 17.0° | 179.9° |
| CAM | CAY | NAS | HAS | 163.0° | 0.0° |
| HAM | CAM | CAY | CAK | 177.0° | 180.0° |
| HAM | CAM | CAY | NAS | 5.0° | 0.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.7° | 0.1° |
| C2 | N3 | C4 | CAL | 179.3° | 180.0° |
| H2 | C2 | N3 | C4 | 179.3° | 180.0° |
| N3 | C4 | CAL | CAK | 179.7° | 180.0° |
| N3 | C4 | CAL | HAL | 0.3° | 0.0° |
| C4 | CAL | CAK | HAL | 180.0° | 180.0° |
| C4 | CAL | CAK | CAY | 1.9° | 0.0° |
| C4 | CAL | CAK | HAK | 178.1° | 180.0° |
| CAL | CAK | CAY | HAK | 180.0° | 180.0° |
| CAL | CAK | CAY | NAS | 175.8° | 180.0° |
| HAL | CAL | CAK | CAY | 178.0° | 180.0° |
| HAL | CAL | CAK | HAK | 1.9° | 0.0° |
| CAK | CAY | NAS | CAW | 155.0° | 0.1° |
| CAK | CAY | NAS | HAS | 25.0° | 180.0° |
| HAK | CAK | CAY | NAS | 4.2° | 0.0° |
| CAY | NAS | CAW | HAS | 180.0° | 179.9° |
| CAY | NAS | CAW | OAC | 8.4° | 0.0° |
| CAY | NAS | CAW | CAO | 173.1° | 180.0° |
| NAS | CAW | OAC | CAO | 178.5° | 179.9° |
| NAS | CAW | CAO | CAN | 64.5° | 179.9° |
| NAS | CAW | CAO | HAO1 | 60.8° | 58.2° |
| NAS | CAW | CAO | HAO2 | 170.3° | 58.3° |
| HAS | NAS | CAW | OAC | 171.6° | 179.9° |
| HAS | NAS | CAW | CAO | 6.9° | 0.1° |
| OAC | CAW | CAO | CAN | 116.9° | 0.1° |
| OAC | CAW | CAO | HAO1 | 117.8° | 121.7° |
| OAC | CAW | CAO | HAO2 | 8.3° | 121.8° |
| CAW | CAO | CAN | HAO1 | 125.3° | 120.2° |
| CAW | CAO | CAN | HAO2 | 125.3° | 120.2° |
| CAW | CAO | HAO1 | HAO2 | 118.5° | 116.3° |
| CAW | CAO | CAN | SAU | 87.6° | 179.5° |
| CAW | CAO | CAN | HAN1 | 37.6° | 60.1° |
| CAW | CAO | CAN | HAN2 | 147.1° | 59.2° |
| CAN | CAO | HAO1 | HAO2 | 118.5° | 120.8° |
| CAO | CAN | SAU | HAN1 | 125.3° | 121.7° |
| CAO | CAN | SAU | HAN2 | 125.3° | 121.6° |
| CAO | CAN | HAN1 | HAN2 | 115.2° | 121.1° |
| CAO | CAN | SAU | CB | 166.2° | 179.9° |
| HAO1 | CAO | CAN | SAU | 147.1° | 60.3° |
| HAO1 | CAO | CAN | HAN1 | 87.7° | 60.2° |
| HAO1 | CAO | CAN | HAN2 | 21.8° | 179.4° |
| HAO2 | CAO | CAN | SAU | 37.6° | 59.3° |
| HAO2 | CAO | CAN | HAN1 | 162.9° | 179.7° |
| HAO2 | CAO | CAN | HAN2 | 87.6° | 61.0° |
| SAU | CAN | HAN1 | HAN2 | 115.2° | 117.2° |
| CAN | SAU | CB | CA | 90.8° | 178.2° |
| CAN | SAU | CB | HBC1 | 34.5° | 60.0° |
| CAN | SAU | CB | HBC2 | 144.0° | 55.6° |
| HAN1 | CAN | SAU | CB | 40.9° | 58.2° |
| HAN2 | CAN | SAU | CB | 68.6° | 58.4° |
| SAU | CB | CA | HBC1 | 125.3° | 120.3° |
| SAU | CB | CA | HBC2 | 125.3° | 121.1° |
| SAU | CB | HBC1 | HBC2 | 117.6° | 115.6° |
| SAU | CB | CA | C | 157.1° | 59.7° |
| SAU | CB | CA | N | 88.3° | 67.2° |
| SAU | CB | CA | HA | 37.1° | 176.9° |
| CA | CB | HBC1 | HBC2 | 117.5° | 120.2° |
| CB | CA | C | N | 110.4° | 126.9° |
| CB | CA | C | HA | 120.1° | 118.8° |
| CB | CA | N | HA | 125.3° | 118.0° |
| CB | CA | C | O | 66.0° | 121.2° |
| CB | CA | C | OXT | 111.0° | 58.1° |
| CB | CA | N | HN1 | 120.2° | 37.2° |
| CB | CA | N | HN2 | 130.3° | 129.5° |
| HBC1 | CB | CA | C | 77.6° | 180.0° |
| HBC1 | CB | CA | N | 37.0° | 53.1° |
| HBC1 | CB | CA | HA | 162.3° | 62.8° |
| HBC2 | CB | CA | C | 31.9° | 61.5° |
| HBC2 | CB | CA | N | 146.5° | 171.6° |
| HBC2 | CB | CA | HA | 88.2° | 55.7° |
| C | CA | N | HA | 129.5° | 114.8° |
| CA | C | O | OXT | 176.8° | 179.3° |
| C | CA | N | HN1 | 15.0° | 164.3° |
| C | CA | N | HN2 | 124.5° | 2.3° |
| CA | C | OXT | HOT | 176.9° | 179.3° |
| N | CA | C | O | 44.4° | 5.7° |
| N | CA | C | OXT | 138.6° | 175.0° |
| CA | N | HN1 | HN2 | 117.5° | 166.4° |
| HA | CA | C | O | 173.9° | 120.0° |
| HA | CA | C | OXT | 9.1° | 60.7° |
| HA | CA | N | HN1 | 114.5° | 80.9° |
| HA | CA | N | HN2 | 5.0° | 112.5° |
| O | C | OXT | HOT | 0.0° | 0.0° |
