23C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CAN | doub | 1.41Å | 1.39Å | Aromatic |
| CD2 | CAX | sing | 1.42Å | 1.40Å | Aromatic |
| CD2 | CG | sing | 1.41Å | 1.40Å | Aromatic |
| CAN | CAH | sing | 1.36Å | 1.38Å | Aromatic |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAH | CAG | doub | 1.39Å | 1.38Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | CAL | sing | 1.36Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAL | CAX | doub | 1.40Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAX | CAM | sing | 1.41Å | 1.39Å | Aromatic |
| CAM | CAI | doub | 1.36Å | 1.38Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAI | CD1 | sing | 1.39Å | 1.38Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CD1 | CG | doub | 1.36Å | 1.38Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CG | CB | sing | 1.51Å | 1.54Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| N | CAW | sing | 1.35Å | 1.34Å | |
| N | CAV | sing | 1.34Å | 1.34Å | |
| CAW | OAD | doub | 1.21Å | 1.23Å | |
| CAW | CBA | sing | 1.48Å | 1.39Å | |
| CBA | CAP | doub | 1.38Å | 1.40Å | Aromatic |
| CBA | CAZ | sing | 1.41Å | 1.39Å | Aromatic |
| CAP | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAT | CAR | sing | 1.48Å | 1.52Å | |
| CAT | CAK | doub | 1.39Å | 1.39Å | Aromatic |
| CAR | OAE | doub | 1.21Å | 1.25Å | |
| CAR | OAA | sing | 1.35Å | 1.25Å | |
| CAK | CAO | sing | 1.38Å | 1.38Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAO | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAZ | CAV | sing | 1.48Å | 1.40Å | |
| CAV | OAC | doub | 1.21Å | 1.24Å | |
| OXT | H14 | sing | 0.97Å | 0.95Å | |
| OAA | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | CD2 | CAX | 118.4° | 119.4° |
| CAN | CD2 | CG | 120.9° | 121.3° |
| CD2 | CAN | CAH | 120.9° | 119.6° |
| CD2 | CAN | HAN | 119.6° | 120.2° |
| CAX | CD2 | CG | 120.7° | 119.3° |
| CD2 | CAX | CAL | 120.9° | 119.3° |
| CD2 | CAX | CAM | 120.2° | 119.4° |
| CD2 | CG | CD1 | 118.0° | 119.6° |
| CD2 | CG | CB | 125.3° | 120.2° |
| CAH | CAN | HAN | 119.6° | 120.2° |
| CAN | CAH | CAG | 120.7° | 121.0° |
| CAN | CAH | HAH | 119.7° | 119.5° |
| CAG | CAH | HAH | 119.7° | 119.5° |
| CAH | CAG | CAL | 119.6° | 121.0° |
| CAH | CAG | HAG | 120.2° | 119.5° |
| CAL | CAG | HAG | 120.2° | 119.5° |
| CAG | CAL | CAX | 119.6° | 119.7° |
| CAG | CAL | HAL | 120.2° | 120.2° |
| CAX | CAL | HAL | 120.2° | 120.1° |
| CAL | CAX | CAM | 118.8° | 121.3° |
| CAX | CAM | CAI | 118.9° | 119.6° |
| CAX | CAM | HAM | 120.6° | 120.2° |
| CAI | CAM | HAM | 120.6° | 120.2° |
| CAM | CAI | CD1 | 120.8° | 121.0° |
| CAM | CAI | HAI | 119.6° | 119.4° |
| CD1 | CAI | HAI | 119.6° | 119.5° |
| CAI | CD1 | CG | 121.3° | 121.0° |
| CAI | CD1 | HD1 | 119.3° | 119.5° |
| CG | CD1 | HD1 | 119.3° | 119.5° |
| CD1 | CG | CB | 116.6° | 120.2° |
| CG | CB | CA | 107.8° | 109.5° |
| CG | CB | HB | 110.0° | 109.5° |
| CG | CB | HBA | 110.4° | 109.5° |
| CA | CB | HB | 110.0° | 109.5° |
| CA | CB | HBA | 110.4° | 109.5° |
| CB | CA | C | 113.7° | 109.5° |
| CB | CA | N | 111.1° | 109.5° |
| CB | CA | HA | 107.3° | 109.5° |
| HB | CB | HBA | 108.2° | 109.5° |
| C | CA | N | 114.7° | 109.5° |
| C | CA | HA | 103.1° | 109.5° |
| CA | C | OXT | 115.5° | 120.0° |
| CA | C | O | 118.9° | 119.9° |
| N | CA | HA | 106.1° | 109.5° |
| CA | N | CAW | 122.1° | 124.4° |
| CA | N | CAV | 129.3° | 124.4° |
| OXT | C | O | 125.6° | 120.0° |
| C | OXT | H14 | 109.5° | 117.0° |
| CAW | N | CAV | 108.5° | 111.2° |
| N | CAW | OAD | 124.5° | 125.7° |
| N | CAW | CBA | 110.0° | 108.6° |
| N | CAV | CAZ | 108.8° | 108.5° |
| N | CAV | OAC | 125.5° | 125.8° |
| OAD | CAW | CBA | 125.5° | 125.7° |
| CAW | CBA | CAP | 133.5° | 134.1° |
| CAW | CBA | CAZ | 105.7° | 105.9° |
| CAP | CBA | CAZ | 120.8° | 120.0° |
| CBA | CAP | CAT | 119.7° | 119.6° |
| CBA | CAP | HAP | 120.2° | 120.2° |
| CBA | CAZ | CAO | 118.7° | 120.1° |
| CBA | CAZ | CAV | 107.0° | 105.8° |
| CAT | CAP | HAP | 120.1° | 120.3° |
| CAP | CAT | CAR | 121.9° | 119.9° |
| CAP | CAT | CAK | 119.4° | 120.2° |
| CAR | CAT | CAK | 118.6° | 119.9° |
| CAT | CAR | OAE | 118.4° | 120.0° |
| CAT | CAR | OAA | 117.1° | 120.0° |
| CAT | CAK | CAO | 120.3° | 120.3° |
| CAT | CAK | HAK | 119.8° | 119.8° |
| OAE | CAR | OAA | 124.4° | 120.0° |
| CAR | OAA | H15 | 109.5° | 117.0° |
| CAO | CAK | HAK | 119.8° | 119.9° |
| CAK | CAO | CAZ | 121.0° | 119.9° |
| CAK | CAO | HAO | 119.5° | 120.1° |
| CAZ | CAO | HAO | 119.5° | 120.0° |
| CAO | CAZ | CAV | 134.3° | 134.1° |
| CAZ | CAV | OAC | 125.7° | 125.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | CD2 | CAX | CG | 179.0° | 179.6° |
| CD2 | CAN | CAH | HAN | 180.0° | 179.9° |
| CD2 | CAN | CAH | CAG | 0.5° | 0.1° |
| CD2 | CAN | CAH | HAH | 179.5° | 180.0° |
| CAN | CD2 | CAX | CAL | 0.5° | 0.1° |
| CAN | CD2 | CAX | CAM | 179.3° | 179.9° |
| CAN | CD2 | CG | CD1 | 180.0° | 179.8° |
| CAN | CD2 | CG | CB | 2.0° | 0.1° |
| CAX | CD2 | CAN | CAH | 0.8° | 0.1° |
| CAX | CD2 | CAN | HAN | 179.2° | 180.0° |
| CD2 | CAX | CAL | CAG | 0.0° | 0.1° |
| CD2 | CAX | CAL | CAM | 179.8° | 180.0° |
| CD2 | CAX | CAL | HAL | 180.0° | 179.9° |
| CD2 | CAX | CAM | CAI | 0.2° | 0.0° |
| CD2 | CAX | CAM | HAM | 179.7° | 180.0° |
| CAX | CD2 | CG | CD1 | 1.0° | 0.6° |
| CAX | CD2 | CG | CB | 179.0° | 179.7° |
| CG | CD2 | CAN | CAH | 179.8° | 179.7° |
| CG | CD2 | CAN | HAN | 0.2° | 0.4° |
| CG | CD2 | CAX | CAL | 179.5° | 179.7° |
| CG | CD2 | CAX | CAM | 0.3° | 0.3° |
| CD2 | CG | CD1 | CAI | 1.3° | 0.5° |
| CD2 | CG | CD1 | CB | 178.1° | 179.8° |
| CD2 | CG | CD1 | HD1 | 178.7° | 179.7° |
| CD2 | CG | CB | CA | 75.0° | 85.0° |
| CD2 | CG | CB | HB | 165.0° | 155.0° |
| CD2 | CG | CB | HBA | 45.7° | 35.0° |
| CAN | CAH | CAG | HAH | 180.0° | 180.0° |
| CAN | CAH | CAG | CAL | 0.0° | 0.0° |
| CAN | CAH | CAG | HAG | 180.0° | 180.0° |
| HAN | CAN | CAH | CAG | 179.4° | 179.9° |
| HAN | CAN | CAH | HAH | 0.6° | 0.1° |
| CAH | CAG | CAL | HAG | 180.0° | 180.0° |
| CAH | CAG | CAL | CAX | 0.2° | 0.0° |
| CAH | CAG | CAL | HAL | 179.7° | 179.9° |
| HAH | CAH | CAG | CAL | 180.0° | 180.0° |
| HAH | CAH | CAG | HAG | 0.0° | 0.0° |
| CAG | CAL | CAX | HAL | 180.0° | 179.9° |
| CAG | CAL | CAX | CAM | 179.8° | 179.9° |
| HAG | CAG | CAL | CAX | 179.7° | 180.0° |
| HAG | CAG | CAL | HAL | 0.3° | 0.0° |
| CAL | CAX | CAM | CAI | 179.9° | 180.0° |
| CAL | CAX | CAM | HAM | 0.1° | 0.1° |
| HAL | CAL | CAX | CAM | 0.2° | 0.1° |
| CAX | CAM | CAI | HAM | 180.0° | 179.9° |
| CAX | CAM | CAI | CD1 | 0.0° | 0.0° |
| CAX | CAM | CAI | HAI | 180.0° | 179.9° |
| CAM | CAI | CD1 | HAI | 180.0° | 179.9° |
| CAM | CAI | CD1 | CG | 0.8° | 0.3° |
| CAM | CAI | CD1 | HD1 | 179.2° | 180.0° |
| HAM | CAM | CAI | CD1 | 180.0° | 180.0° |
| HAM | CAM | CAI | HAI | 0.0° | 0.0° |
| CAI | CD1 | CG | HD1 | 180.0° | 179.7° |
| CAI | CD1 | CG | CB | 179.4° | 179.7° |
| HAI | CAI | CD1 | CG | 179.2° | 179.8° |
| HAI | CAI | CD1 | HD1 | 0.9° | 0.1° |
| CD1 | CG | CB | CA | 103.0° | 94.8° |
| CD1 | CG | CB | HB | 17.0° | 25.2° |
| CD1 | CG | CB | HBA | 136.4° | 145.2° |
| HD1 | CD1 | CG | CB | 0.5° | 0.0° |
| CG | CB | CA | HB | 120.0° | 120.0° |
| CG | CB | CA | HBA | 120.6° | 120.0° |
| CG | CB | HB | HBA | 120.7° | 120.0° |
| CG | CB | CA | C | 175.9° | 175.0° |
| CG | CB | CA | N | 52.9° | 65.0° |
| CG | CB | CA | HA | 62.7° | 55.0° |
| CA | CB | HB | HBA | 120.7° | 120.0° |
| CB | CA | C | N | 129.3° | 120.0° |
| CB | CA | C | HA | 115.8° | 120.0° |
| CB | CA | N | HA | 116.3° | 120.0° |
| CB | CA | C | OXT | 83.7° | 60.0° |
| CB | CA | C | O | 97.8° | 120.0° |
| CB | CA | N | CAW | 121.4° | 120.0° |
| CB | CA | N | CAV | 55.5° | 59.7° |
| HB | CB | CA | C | 64.1° | 65.0° |
| HB | CB | CA | N | 67.1° | 55.0° |
| HB | CB | CA | HA | 177.3° | 175.0° |
| HBA | CB | CA | C | 55.3° | 55.0° |
| HBA | CB | CA | N | 173.6° | 175.0° |
| HBA | CB | CA | HA | 58.0° | 65.0° |
| C | CA | N | HA | 113.1° | 120.0° |
| CA | C | OXT | O | 178.4° | 180.0° |
| C | CA | N | CAW | 108.0° | 120.0° |
| C | CA | N | CAV | 75.1° | 60.3° |
| CA | C | OXT | H14 | 178.3° | 180.0° |
| N | CA | C | OXT | 147.0° | 180.0° |
| N | CA | C | O | 31.5° | 0.0° |
| CA | N | CAW | CAV | 177.5° | 179.7° |
| CA | N | CAW | OAD | 2.8° | 0.0° |
| CA | N | CAW | CBA | 178.3° | 180.0° |
| CA | N | CAV | CAZ | 178.2° | 179.9° |
| CA | N | CAV | OAC | 2.5° | 0.1° |
| HA | CA | C | OXT | 32.2° | 60.0° |
| HA | CA | C | O | 146.3° | 120.0° |
| HA | CA | N | CAW | 5.1° | 0.0° |
| HA | CA | N | CAV | 171.9° | 179.7° |
| O | C | OXT | H14 | 0.0° | 0.0° |
| N | CAW | OAD | CBA | 178.8° | 179.9° |
| N | CAW | CBA | CAP | 179.3° | 180.0° |
| N | CAW | CBA | CAZ | 0.3° | 0.1° |
| CAW | N | CAV | CAZ | 0.9° | 0.4° |
| CAW | N | CAV | OAC | 179.8° | 179.7° |
| CAV | N | CAW | OAD | 179.7° | 179.8° |
| CAV | N | CAW | CBA | 0.8° | 0.3° |
| N | CAV | CAZ | CBA | 0.8° | 0.3° |
| N | CAV | CAZ | CAO | 179.2° | 179.9° |
| N | CAV | CAZ | OAC | 179.3° | 179.9° |
| OAD | CAW | CBA | CAP | 0.4° | 0.1° |
| OAD | CAW | CBA | CAZ | 179.2° | 180.0° |
| CAW | CBA | CAP | CAZ | 179.6° | 179.9° |
| CAW | CBA | CAP | CAT | 179.6° | 179.9° |
| CAW | CBA | CAP | HAP | 0.4° | 0.1° |
| CAW | CBA | CAZ | CAO | 179.6° | 180.0° |
| CAW | CBA | CAZ | CAV | 0.3° | 0.2° |
| CBA | CAP | CAT | HAP | 180.0° | 180.0° |
| CBA | CAP | CAT | CAR | 179.1° | 180.0° |
| CBA | CAP | CAT | CAK | 0.2° | 0.0° |
| CAP | CBA | CAZ | CAO | 0.0° | 0.1° |
| CAP | CBA | CAZ | CAV | 180.0° | 179.8° |
| CAZ | CBA | CAP | CAT | 0.0° | 0.0° |
| CAZ | CBA | CAP | HAP | 180.0° | 180.0° |
| CBA | CAZ | CAO | CAK | 0.1° | 0.0° |
| CBA | CAZ | CAO | CAV | 179.9° | 179.7° |
| CBA | CAZ | CAO | HAO | 179.9° | 180.0° |
| CBA | CAZ | CAV | OAC | 180.0° | 179.7° |
| CAP | CAT | CAR | CAK | 178.9° | 180.0° |
| CAP | CAT | CAR | OAE | 31.5° | 0.0° |
| CAP | CAT | CAR | OAA | 151.6° | 180.0° |
| CAP | CAT | CAK | CAO | 0.3° | 0.1° |
| CAP | CAT | CAK | HAK | 179.7° | 180.0° |
| HAP | CAP | CAT | CAR | 0.9° | 0.0° |
| HAP | CAP | CAT | CAK | 179.9° | 180.0° |
| CAT | CAR | OAE | OAA | 176.7° | 180.0° |
| CAR | CAT | CAK | CAO | 179.3° | 179.9° |
| CAR | CAT | CAK | HAK | 0.8° | 0.0° |
| CAT | CAR | OAA | H15 | 176.7° | 180.0° |
| CAK | CAT | CAR | OAE | 147.5° | 180.0° |
| CAK | CAT | CAR | OAA | 29.4° | 0.0° |
| CAT | CAK | CAO | HAK | 180.0° | 180.0° |
| CAT | CAK | CAO | CAZ | 0.3° | 0.0° |
| CAT | CAK | CAO | HAO | 179.7° | 179.9° |
| OAE | CAR | OAA | H15 | 0.0° | 0.0° |
| CAK | CAO | CAZ | HAO | 180.0° | 180.0° |
| CAK | CAO | CAZ | CAV | 179.8° | 179.7° |
| HAK | CAK | CAO | CAZ | 179.8° | 180.0° |
| HAK | CAK | CAO | HAO | 0.2° | 0.0° |
| CAO | CAZ | CAV | OAC | 0.1° | 0.1° |
| HAO | CAO | CAZ | CAV | 0.2° | 0.2° |
