8R2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAY | sing | 1.39Å | 1.34Å | Aromatic |
| CAM | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAW | sing | 1.48Å | 1.34Å | Aromatic |
| CAY | CAX | doub | 1.40Å | 1.34Å | Aromatic |
| CAW | CAF | sing | 1.43Å | 1.41Å | |
| CAW | CAS | doub | 1.39Å | 1.32Å | Aromatic |
| CAF | NAA | trip | 1.14Å | 1.21Å | |
| CAS | NAB | sing | 1.38Å | 1.32Å | |
| CAS | NAP | sing | 1.36Å | 1.34Å | Aromatic |
| NAP | CAX | sing | 1.39Å | 1.35Å | Aromatic |
| CAX | CAL | sing | 1.39Å | 1.35Å | Aromatic |
| CAL | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAK | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | OAQ | sing | 1.36Å | 1.36Å | |
| OAQ | CAU | sing | 1.36Å | 1.36Å | |
| CAU | CAJ | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | CAI | doub | 1.39Å | 1.37Å | Aromatic |
| CAJ | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAH | CAT | sing | 1.39Å | 1.39Å | Aromatic |
| CAI | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAT | doub | 1.39Å | 1.39Å | Aromatic |
| CAT | NAO | sing | 1.40Å | 1.35Å | |
| NAO | C | sing | 1.35Å | 1.35Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | OG | sing | 1.43Å | 1.42Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| NAB | HAB1 | sing | 0.97Å | 1.00Å | |
| NAB | HAB2 | sing | 0.97Å | 1.00Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| OG | HG | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | CAM | CAV | 121.0° | 119.6° |
| CAM | CAY | CAW | 133.4° | 133.6° |
| CAM | CAY | CAX | 120.1° | 120.2° |
| CAY | CAM | HAM | 119.5° | 120.2° |
| CAM | CAV | CAK | 119.2° | 120.1° |
| CAM | CAV | OAQ | 120.2° | 120.0° |
| CAV | CAM | HAM | 119.5° | 120.2° |
| CAW | CAY | CAX | 106.5° | 106.2° |
| CAY | CAW | CAF | 126.8° | 126.8° |
| CAY | CAW | CAS | 109.8° | 106.3° |
| CAY | CAX | NAP | 108.2° | 107.9° |
| CAY | CAX | CAL | 120.5° | 119.5° |
| CAF | CAW | CAS | 123.4° | 126.8° |
| CAW | CAF | NAA | 177.4° | 180.0° |
| CAW | CAS | NAB | 127.9° | 125.4° |
| CAW | CAS | NAP | 108.1° | 109.3° |
| NAB | CAS | NAP | 124.0° | 125.4° |
| CAS | NAB | HAB1 | 109.5° | 120.0° |
| CAS | NAB | HAB2 | 109.5° | 120.0° |
| CAS | NAP | CAX | 107.4° | 110.4° |
| CAS | NAP | HAP | 126.3° | 124.8° |
| NAP | CAX | CAL | 131.3° | 132.7° |
| CAX | NAP | HAP | 126.3° | 124.8° |
| CAX | CAL | CAK | 121.8° | 120.0° |
| CAX | CAL | HAL | 119.1° | 120.0° |
| CAL | CAK | CAV | 117.3° | 120.5° |
| CAK | CAL | HAL | 119.1° | 119.9° |
| CAL | CAK | HAK | 121.3° | 119.8° |
| CAK | CAV | OAQ | 120.6° | 119.9° |
| CAV | CAK | HAK | 121.3° | 119.7° |
| CAV | OAQ | CAU | 116.9° | 118.0° |
| OAQ | CAU | CAJ | 124.9° | 120.0° |
| OAQ | CAU | CAI | 117.0° | 119.9° |
| CAJ | CAU | CAI | 118.1° | 120.0° |
| CAU | CAJ | CAH | 121.2° | 120.0° |
| CAU | CAJ | HAJ | 119.4° | 120.0° |
| CAU | CAI | CAG | 120.7° | 120.0° |
| CAU | CAI | HAI | 119.6° | 120.0° |
| CAJ | CAH | CAT | 121.0° | 120.0° |
| CAH | CAJ | HAJ | 119.4° | 119.9° |
| CAJ | CAH | HAH | 119.5° | 120.0° |
| CAH | CAT | CAG | 116.4° | 120.0° |
| CAH | CAT | NAO | 127.6° | 120.0° |
| CAT | CAH | HAH | 119.5° | 120.0° |
| CAI | CAG | CAT | 122.6° | 120.0° |
| CAG | CAI | HAI | 119.6° | 120.0° |
| CAI | CAG | HAG | 118.7° | 120.0° |
| CAG | CAT | NAO | 116.0° | 120.0° |
| CAT | CAG | HAG | 118.7° | 120.0° |
| CAT | NAO | C | 123.0° | 120.0° |
| CAT | NAO | HAO | 118.5° | 120.0° |
| NAO | C | O | 125.8° | 120.0° |
| NAO | C | CA | 115.6° | 120.0° |
| C | NAO | HAO | 118.5° | 120.0° |
| O | C | CA | 118.4° | 120.0° |
| C | CA | N | 112.0° | 109.5° |
| C | CA | CB | 102.9° | 109.5° |
| C | CA | HA | 109.1° | 109.4° |
| N | CA | CB | 113.4° | 109.5° |
| N | CA | HA | 109.8° | 109.5° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| CA | CB | OG | 104.4° | 109.4° |
| CB | CA | HA | 109.3° | 109.5° |
| CA | CB | HB1C | 110.7° | 109.5° |
| CA | CB | HB2C | 110.7° | 109.5° |
| OG | CB | HB1C | 110.7° | 109.5° |
| OG | CB | HB2C | 110.7° | 109.5° |
| CB | OG | HG | 109.5° | 114.0° |
| HAB1 | NAB | HAB2 | 109.4° | 120.0° |
| HN1 | N | HN2 | 109.5° | 110.9° |
| HB1C | CB | HB2C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | CAM | CAV | HAM | 180.0° | 179.7° |
| CAM | CAY | CAW | CAX | 179.0° | 179.9° |
| CAM | CAY | CAW | CAF | 0.6° | 0.0° |
| CAM | CAY | CAW | CAS | 179.1° | 179.9° |
| CAM | CAY | CAX | NAP | 179.1° | 180.0° |
| CAM | CAY | CAX | CAL | 0.8° | 0.1° |
| CAY | CAM | CAV | CAK | 0.3° | 0.0° |
| CAY | CAM | CAV | OAQ | 179.4° | 180.0° |
| CAV | CAM | CAY | CAW | 179.6° | 180.0° |
| CAV | CAM | CAY | CAX | 0.8° | 0.0° |
| CAM | CAV | CAK | CAL | 0.1° | 0.0° |
| CAM | CAV | CAK | OAQ | 179.7° | 180.0° |
| CAM | CAV | OAQ | CAU | 117.3° | 66.7° |
| CAM | CAV | CAK | HAK | 179.9° | 179.9° |
| CAY | CAW | CAF | CAS | 179.7° | 180.0° |
| CAY | CAW | CAF | NAA | 170.1° | 8.9° |
| CAY | CAW | CAS | NAB | 179.9° | 179.9° |
| CAY | CAW | CAS | NAP | 0.3° | 0.0° |
| CAW | CAY | CAX | NAP | 0.0° | 0.0° |
| CAW | CAY | CAX | CAL | 179.9° | 180.0° |
| CAW | CAY | CAM | HAM | 0.3° | 0.2° |
| CAX | CAY | CAW | CAF | 179.6° | 180.0° |
| CAX | CAY | CAW | CAS | 0.2° | 0.0° |
| CAY | CAX | NAP | CAS | 0.2° | 0.0° |
| CAY | CAX | NAP | CAL | 179.9° | 180.0° |
| CAY | CAX | CAL | CAK | 0.4° | 0.0° |
| CAX | CAY | CAM | HAM | 179.2° | 179.7° |
| CAY | CAX | NAP | HAP | 179.8° | 179.9° |
| CAY | CAX | CAL | HAL | 179.6° | 180.0° |
| CAF | CAW | CAS | NAB | 0.3° | 0.1° |
| CAF | CAW | CAS | NAP | 179.5° | 180.0° |
| CAS | CAW | CAF | NAA | 10.1° | 171.0° |
| CAW | CAS | NAB | NAP | 179.8° | 179.9° |
| CAW | CAS | NAP | CAX | 0.3° | 0.0° |
| CAW | CAS | NAB | HAB1 | 180.0° | 0.1° |
| CAW | CAS | NAB | HAB2 | 60.0° | 180.0° |
| CAW | CAS | NAP | HAP | 179.7° | 179.9° |
| NAB | CAS | NAP | CAX | 179.9° | 180.0° |
| CAS | NAB | HAB1 | HAB2 | 120.0° | 180.0° |
| NAB | CAS | NAP | HAP | 0.1° | 0.1° |
| CAS | NAP | CAX | HAP | 180.0° | 179.9° |
| CAS | NAP | CAX | CAL | 179.9° | 180.0° |
| NAP | CAS | NAB | HAB1 | 0.1° | 180.0° |
| NAP | CAS | NAB | HAB2 | 119.8° | 0.0° |
| NAP | CAX | CAL | CAK | 179.5° | 180.0° |
| NAP | CAX | CAL | HAL | 0.4° | 0.0° |
| CAX | CAL | CAK | HAL | 180.0° | 180.0° |
| CAX | CAL | CAK | CAV | 0.1° | 0.0° |
| CAL | CAX | NAP | HAP | 0.1° | 0.1° |
| CAX | CAL | CAK | HAK | 180.0° | 179.9° |
| CAL | CAK | CAV | HAK | 180.0° | 179.9° |
| CAL | CAK | CAV | OAQ | 179.8° | 180.0° |
| CAK | CAV | OAQ | CAU | 62.4° | 113.3° |
| CAK | CAV | CAM | HAM | 179.6° | 179.7° |
| CAV | CAK | CAL | HAL | 179.9° | 180.0° |
| CAV | OAQ | CAU | CAJ | 27.6° | 174.1° |
| CAV | OAQ | CAU | CAI | 153.7° | 5.6° |
| OAQ | CAV | CAM | HAM | 0.6° | 0.2° |
| OAQ | CAV | CAK | HAK | 0.2° | 0.1° |
| OAQ | CAU | CAJ | CAI | 178.6° | 179.7° |
| OAQ | CAU | CAJ | CAH | 179.5° | 179.9° |
| OAQ | CAU | CAI | CAG | 179.0° | 180.0° |
| OAQ | CAU | CAJ | HAJ | 0.5° | 0.0° |
| OAQ | CAU | CAI | HAI | 1.0° | 0.0° |
| CAU | CAJ | CAH | HAJ | 180.0° | 179.9° |
| CAU | CAJ | CAH | CAT | 0.4° | 0.1° |
| CAJ | CAU | CAI | CAG | 0.3° | 0.3° |
| CAJ | CAU | CAI | HAI | 179.7° | 179.7° |
| CAU | CAJ | CAH | HAH | 179.6° | 179.9° |
| CAI | CAU | CAJ | CAH | 0.9° | 0.3° |
| CAU | CAI | CAG | HAI | 180.0° | 180.0° |
| CAU | CAI | CAG | CAT | 0.9° | 0.1° |
| CAI | CAU | CAJ | HAJ | 179.1° | 179.8° |
| CAU | CAI | CAG | HAG | 179.1° | 180.0° |
| CAJ | CAH | CAT | HAH | 180.0° | 180.0° |
| CAJ | CAH | CAT | CAG | 0.7° | 0.2° |
| CAJ | CAH | CAT | NAO | 178.9° | 179.9° |
| CAH | CAT | CAG | CAI | 1.3° | 0.3° |
| CAH | CAT | CAG | NAO | 178.4° | 179.7° |
| CAH | CAT | NAO | C | 23.2° | 35.1° |
| CAT | CAH | CAJ | HAJ | 179.6° | 180.0° |
| CAH | CAT | CAG | HAG | 178.7° | 179.7° |
| CAH | CAT | NAO | HAO | 156.8° | 144.7° |
| CAI | CAG | CAT | HAG | 180.0° | 180.0° |
| CAI | CAG | CAT | NAO | 179.7° | 180.0° |
| CAG | CAT | NAO | C | 155.0° | 144.6° |
| CAT | CAG | CAI | HAI | 179.1° | 180.0° |
| CAG | CAT | CAH | HAH | 179.3° | 179.8° |
| CAG | CAT | NAO | HAO | 25.0° | 35.5° |
| CAT | NAO | C | HAO | 180.0° | 179.9° |
| CAT | NAO | C | O | 2.2° | 4.0° |
| CAT | NAO | C | CA | 172.8° | 176.0° |
| NAO | CAT | CAH | HAH | 1.1° | 0.1° |
| NAO | CAT | CAG | HAG | 0.3° | 0.0° |
| NAO | C | O | CA | 174.9° | 179.9° |
| NAO | C | CA | N | 128.5° | 160.1° |
| NAO | C | CA | CB | 109.3° | 79.9° |
| NAO | C | CA | HA | 6.7° | 40.0° |
| O | C | CA | N | 56.1° | 20.0° |
| O | C | CA | CB | 66.2° | 100.0° |
| O | C | NAO | HAO | 177.8° | 175.9° |
| O | C | CA | HA | 177.9° | 140.0° |
| C | CA | N | CB | 116.0° | 120.0° |
| C | CA | N | HA | 121.4° | 120.0° |
| C | CA | CB | HA | 115.9° | 119.9° |
| C | CA | CB | OG | 147.5° | 175.0° |
| CA | C | NAO | HAO | 7.2° | 4.2° |
| C | CA | N | HN1 | 180.0° | 63.9° |
| C | CA | N | HN2 | 60.0° | 60.0° |
| C | CA | CB | HB1C | 93.3° | 65.0° |
| C | CA | CB | HB2C | 28.3° | 55.0° |
| N | CA | CB | HA | 122.8° | 120.1° |
| N | CA | CB | OG | 91.2° | 65.0° |
| CA | N | HN1 | HN2 | 120.0° | 124.0° |
| N | CA | CB | HB1C | 27.9° | 55.0° |
| N | CA | CB | HB2C | 149.6° | 175.0° |
| CA | CB | OG | HB1C | 119.2° | 120.0° |
| CA | CB | OG | HB2C | 119.2° | 120.0° |
| CB | CA | N | HN1 | 64.0° | 176.1° |
| CB | CA | N | HN2 | 176.0° | 60.0° |
| CA | CB | HB1C | HB2C | 122.4° | 120.0° |
| CA | CB | OG | HG | 180.0° | 180.0° |
| OG | CB | CA | HA | 31.6° | 55.1° |
| OG | CB | HB1C | HB2C | 122.3° | 120.0° |
| HAL | CAL | CAK | HAK | 0.1° | 0.1° |
| HAJ | CAJ | CAH | HAH | 0.4° | 0.0° |
| HAI | CAI | CAG | HAG | 0.9° | 0.0° |
| HA | CA | N | HN1 | 58.6° | 56.1° |
| HA | CA | N | HN2 | 61.4° | 180.0° |
| HA | CA | CB | HB1C | 150.8° | 175.0° |
| HA | CA | CB | HB2C | 87.6° | 64.9° |
| HB1C | CB | OG | HG | 60.8° | 60.0° |
| HB2C | CB | OG | HG | 60.8° | 60.0° |
