M8A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAD | doub | 1.21Å | 1.56Å | |
| CAD | CAN | sing | 1.51Å | 1.60Å | |
| CAN | CAP | sing | 1.53Å | 1.51Å | |
| CAP | CAX | sing | 1.51Å | 1.35Å | |
| CAX | CAK | sing | 1.38Å | 1.39Å | Aromatic |
| CAX | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAK | CAM | doub | 1.38Å | 1.41Å | Aromatic |
| CAM | CAZ | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAZ | NAT | sing | 1.40Å | 1.34Å | |
| NAT | C | sing | 1.35Å | 1.34Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.37Å | |
| CA | CB | sing | 1.54Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CB | CG | sing | 1.55Å | 1.47Å | |
| CG | CD | sing | 1.55Å | 1.49Å | |
| CD | N | sing | 1.47Å | 1.43Å | |
| N | CAW | sing | 1.35Å | 1.34Å | |
| CAW | OAC | doub | 1.22Å | 1.21Å | |
| CAW | OAU | sing | 1.35Å | 1.35Å | |
| OAU | CAS | sing | 1.45Å | 1.42Å | |
| CAS | CAY | sing | 1.51Å | 1.45Å | |
| CAY | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| CAY | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAH | CAF | doub | 1.38Å | 1.41Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAI | sing | 1.38Å | 1.43Å | Aromatic |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| NAT | HAT | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CG | HG1C | sing | 1.09Å | 1.10Å | |
| CG | HG2C | sing | 1.09Å | 1.10Å | |
| CD | HD1C | sing | 1.09Å | 1.10Å | |
| CD | HD2C | sing | 1.09Å | 1.10Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAD | CAN | 120.7° | 120.0° |
| OAA | CAD | HAD | 119.6° | 119.9° |
| CAD | CAN | CAP | 112.1° | 109.5° |
| CAD | CAN | HAN1 | 108.8° | 109.5° |
| CAD | CAN | HAN2 | 108.8° | 109.5° |
| CAN | CAD | HAD | 119.7° | 120.1° |
| CAN | CAP | CAX | 111.6° | 109.5° |
| CAP | CAN | HAN1 | 108.8° | 109.5° |
| CAP | CAN | HAN2 | 108.8° | 109.5° |
| CAN | CAP | HAP1 | 108.9° | 109.5° |
| CAN | CAP | HAP2 | 108.9° | 109.5° |
| CAP | CAX | CAK | 119.5° | 119.9° |
| CAP | CAX | CAJ | 120.6° | 119.9° |
| CAX | CAP | HAP1 | 108.9° | 109.5° |
| CAX | CAP | HAP2 | 108.9° | 109.4° |
| CAK | CAX | CAJ | 119.8° | 120.2° |
| CAX | CAK | CAM | 119.8° | 120.1° |
| CAX | CAK | HAK | 120.1° | 119.9° |
| CAX | CAJ | CAL | 120.0° | 120.0° |
| CAX | CAJ | HAJ | 120.0° | 120.0° |
| CAK | CAM | CAZ | 121.7° | 119.9° |
| CAM | CAK | HAK | 120.1° | 120.0° |
| CAK | CAM | HAM | 119.2° | 120.0° |
| CAM | CAZ | CAL | 116.1° | 120.0° |
| CAM | CAZ | NAT | 124.5° | 120.0° |
| CAZ | CAM | HAM | 119.1° | 120.1° |
| CAJ | CAL | CAZ | 122.6° | 119.9° |
| CAL | CAJ | HAJ | 120.0° | 120.0° |
| CAJ | CAL | HAL | 118.7° | 120.0° |
| CAL | CAZ | NAT | 119.4° | 120.1° |
| CAZ | CAL | HAL | 118.7° | 120.1° |
| CAZ | NAT | C | 117.9° | 120.0° |
| CAZ | NAT | HAT | 121.1° | 120.0° |
| NAT | C | O | 124.6° | 120.0° |
| NAT | C | CA | 117.2° | 120.0° |
| C | NAT | HAT | 121.0° | 120.0° |
| O | C | CA | 117.5° | 120.0° |
| C | CA | CB | 110.4° | 109.9° |
| C | CA | N | 117.2° | 109.9° |
| C | CA | HA | 108.3° | 109.9° |
| CB | CA | N | 107.1° | 107.3° |
| CA | CB | CG | 101.7° | 102.9° |
| CB | CA | HA | 105.9° | 109.9° |
| CA | CB | HB1C | 111.4° | 110.7° |
| CA | CB | HB2C | 111.4° | 110.7° |
| CA | N | CD | 104.8° | 108.7° |
| CA | N | CAW | 134.6° | 125.6° |
| N | CA | HA | 107.5° | 110.0° |
| CB | CG | CD | 105.3° | 101.6° |
| CG | CB | HB1C | 111.4° | 110.7° |
| CG | CB | HB2C | 111.4° | 110.7° |
| CB | CG | HG1C | 110.5° | 111.0° |
| CB | CG | HG2C | 110.5° | 111.0° |
| CG | CD | N | 111.5° | 104.8° |
| CD | CG | HG1C | 110.5° | 111.0° |
| CD | CG | HG2C | 110.5° | 111.0° |
| CG | CD | HD1C | 109.0° | 110.4° |
| CG | CD | HD2C | 109.0° | 110.4° |
| CD | N | CAW | 119.2° | 125.6° |
| N | CD | HD1C | 109.0° | 110.4° |
| N | CD | HD2C | 109.0° | 110.3° |
| N | CAW | OAC | 120.7° | 120.0° |
| N | CAW | OAU | 122.8° | 120.0° |
| OAC | CAW | OAU | 115.2° | 120.0° |
| CAW | OAU | CAS | 122.2° | 117.0° |
| OAU | CAS | CAY | 103.2° | 109.5° |
| OAU | CAS | HAS1 | 111.0° | 109.4° |
| OAU | CAS | HAS2 | 111.0° | 109.4° |
| CAS | CAY | CAH | 124.4° | 120.0° |
| CAS | CAY | CAI | 120.4° | 120.0° |
| CAY | CAS | HAS1 | 111.0° | 109.5° |
| CAY | CAS | HAS2 | 111.0° | 109.5° |
| CAH | CAY | CAI | 115.2° | 120.0° |
| CAY | CAH | CAF | 122.5° | 120.0° |
| CAY | CAH | HAH | 118.7° | 120.0° |
| CAY | CAI | CAG | 122.9° | 120.0° |
| CAY | CAI | HAI | 118.6° | 120.0° |
| CAH | CAF | CAE | 120.8° | 120.0° |
| CAF | CAH | HAH | 118.7° | 120.0° |
| CAH | CAF | HAF | 119.6° | 120.0° |
| CAF | CAE | CAG | 119.4° | 120.0° |
| CAE | CAF | HAF | 119.6° | 120.0° |
| CAF | CAE | HAE | 120.4° | 120.0° |
| CAE | CAG | CAI | 119.3° | 120.0° |
| CAG | CAE | HAE | 120.3° | 120.0° |
| CAE | CAG | HAG | 120.3° | 120.0° |
| CAG | CAI | HAI | 118.5° | 120.0° |
| CAI | CAG | HAG | 120.4° | 120.0° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAP1 | CAP | HAP2 | 109.5° | 109.5° |
| HB1C | CB | HB2C | 109.5° | 110.8° |
| HG1C | CG | HG2C | 109.5° | 110.9° |
| HD1C | CD | HD2C | 109.5° | 110.4° |
| HAS1 | CAS | HAS2 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAD | CAN | HAD | 180.0° | 179.7° |
| OAA | CAD | CAN | CAP | 158.1° | 125.0° |
| OAA | CAD | CAN | HAN1 | 37.7° | 115.0° |
| OAA | CAD | CAN | HAN2 | 81.5° | 5.0° |
| CAD | CAN | CAP | HAN1 | 120.4° | 120.0° |
| CAD | CAN | CAP | HAN2 | 120.4° | 120.0° |
| CAD | CAN | CAP | CAX | 129.0° | 180.0° |
| CAD | CAN | HAN1 | HAN2 | 118.8° | 120.0° |
| CAD | CAN | CAP | HAP1 | 110.6° | 60.0° |
| CAD | CAN | CAP | HAP2 | 8.7° | 60.0° |
| CAN | CAP | CAX | HAP1 | 120.3° | 120.0° |
| CAN | CAP | CAX | HAP2 | 120.3° | 120.0° |
| CAN | CAP | CAX | CAK | 80.5° | 90.0° |
| CAN | CAP | CAX | CAJ | 102.5° | 90.3° |
| CAP | CAN | HAN1 | HAN2 | 118.8° | 120.0° |
| CAP | CAN | CAD | HAD | 22.0° | 54.7° |
| CAN | CAP | HAP1 | HAP2 | 119.0° | 120.0° |
| CAP | CAX | CAK | CAJ | 177.0° | 179.7° |
| CAP | CAX | CAK | CAM | 178.8° | 180.0° |
| CAP | CAX | CAJ | CAL | 176.9° | 180.0° |
| CAX | CAP | CAN | HAN1 | 8.7° | 60.0° |
| CAX | CAP | CAN | HAN2 | 110.5° | 60.0° |
| CAX | CAP | HAP1 | HAP2 | 119.0° | 120.0° |
| CAP | CAX | CAK | HAK | 1.2° | 0.0° |
| CAP | CAX | CAJ | HAJ | 3.1° | 0.0° |
| CAX | CAK | CAM | HAK | 180.0° | 180.0° |
| CAX | CAK | CAM | CAZ | 1.3° | 0.1° |
| CAK | CAX | CAJ | CAL | 0.2° | 0.2° |
| CAK | CAX | CAP | HAP1 | 39.8° | 30.0° |
| CAK | CAX | CAP | HAP2 | 159.2° | 150.0° |
| CAK | CAX | CAJ | HAJ | 179.9° | 179.7° |
| CAX | CAK | CAM | HAM | 178.6° | 180.0° |
| CAJ | CAX | CAK | CAM | 1.8° | 0.3° |
| CAX | CAJ | CAL | HAJ | 180.0° | 180.0° |
| CAX | CAJ | CAL | CAZ | 2.7° | 0.1° |
| CAJ | CAX | CAP | HAP1 | 137.2° | 149.7° |
| CAJ | CAX | CAP | HAP2 | 17.8° | 29.8° |
| CAJ | CAX | CAK | HAK | 178.2° | 179.7° |
| CAX | CAJ | CAL | HAL | 177.3° | 180.0° |
| CAK | CAM | CAZ | HAM | 180.0° | 180.0° |
| CAK | CAM | CAZ | CAL | 1.1° | 0.2° |
| CAK | CAM | CAZ | NAT | 179.1° | 180.0° |
| CAM | CAZ | CAL | CAJ | 3.1° | 0.3° |
| CAM | CAZ | CAL | NAT | 179.8° | 179.8° |
| CAM | CAZ | NAT | C | 54.0° | 33.4° |
| CAZ | CAM | CAK | HAK | 178.7° | 180.0° |
| CAM | CAZ | CAL | HAL | 176.9° | 179.7° |
| CAM | CAZ | NAT | HAT | 126.0° | 146.7° |
| CAJ | CAL | CAZ | HAL | 180.0° | 179.9° |
| CAJ | CAL | CAZ | NAT | 177.1° | 179.9° |
| CAL | CAZ | NAT | C | 125.8° | 146.4° |
| CAZ | CAL | CAJ | HAJ | 177.3° | 180.0° |
| CAL | CAZ | CAM | HAM | 179.0° | 179.7° |
| CAL | CAZ | NAT | HAT | 54.2° | 33.5° |
| CAZ | NAT | C | HAT | 180.0° | 179.9° |
| CAZ | NAT | C | O | 4.5° | 5.3° |
| CAZ | NAT | C | CA | 174.3° | 174.8° |
| NAT | CAZ | CAM | HAM | 0.9° | 0.0° |
| NAT | CAZ | CAL | HAL | 3.0° | 0.0° |
| NAT | C | O | CA | 169.8° | 180.0° |
| NAT | C | CA | CB | 138.5° | 80.0° |
| NAT | C | CA | N | 15.6° | 162.2° |
| NAT | C | CA | HA | 106.0° | 41.0° |
| O | C | CA | CB | 50.9° | 100.0° |
| O | C | CA | N | 173.8° | 17.8° |
| O | C | NAT | HAT | 175.5° | 174.7° |
| O | C | CA | HA | 64.5° | 139.0° |
| C | CA | CB | N | 128.6° | 119.4° |
| C | CA | CB | HA | 116.9° | 121.0° |
| C | CA | N | HA | 122.1° | 121.1° |
| C | CA | CB | CG | 160.6° | 141.6° |
| C | CA | N | CD | 151.4° | 118.3° |
| C | CA | N | CAW | 42.9° | 61.6° |
| CA | C | NAT | HAT | 5.7° | 5.3° |
| C | CA | CB | HB1C | 80.7° | 100.1° |
| C | CA | CB | HB2C | 41.8° | 23.3° |
| CB | CA | N | HA | 113.3° | 119.5° |
| CA | CB | CG | HB1C | 118.7° | 118.3° |
| CA | CB | CG | HB2C | 118.7° | 118.4° |
| CA | CB | CG | CD | 23.3° | 35.5° |
| CB | CA | N | CD | 26.8° | 1.0° |
| CB | CA | N | CAW | 167.5° | 179.0° |
| CA | CB | HB1C | HB2C | 123.6° | 123.3° |
| CA | CB | CG | HG1C | 96.0° | 82.6° |
| CA | CB | CG | HG2C | 142.6° | 153.6° |
| N | CA | CB | CG | 31.9° | 22.2° |
| CA | N | CD | CG | 12.0° | 24.1° |
| CA | N | CD | CAW | 168.4° | 179.9° |
| CA | N | CAW | OAC | 174.0° | 0.1° |
| CA | N | CAW | OAU | 19.4° | 180.0° |
| N | CA | CB | HB1C | 150.6° | 140.5° |
| N | CA | CB | HB2C | 86.8° | 96.2° |
| CA | N | CD | HD1C | 108.3° | 143.0° |
| CA | N | CD | HD2C | 132.3° | 94.7° |
| CB | CG | CD | HG1C | 119.3° | 118.1° |
| CB | CG | CD | HG2C | 119.3° | 118.0° |
| CB | CG | CD | N | 8.6° | 37.0° |
| CG | CB | CA | HA | 82.5° | 97.4° |
| CG | CB | HB1C | HB2C | 123.6° | 123.2° |
| CB | CG | HG1C | HG2C | 121.9° | 123.9° |
| CB | CG | CD | HD1C | 128.9° | 155.9° |
| CB | CG | CD | HD2C | 111.7° | 81.8° |
| CG | CD | N | HD1C | 120.3° | 118.9° |
| CG | CD | N | HD2C | 120.3° | 118.8° |
| CG | CD | N | CAW | 179.6° | 155.9° |
| CD | CG | CB | HB1C | 142.0° | 153.8° |
| CD | CG | CB | HB2C | 95.4° | 82.9° |
| CD | CG | HG1C | HG2C | 121.9° | 123.9° |
| CG | CD | HD1C | HD2C | 119.1° | 122.3° |
| CD | N | CAW | OAC | 9.9° | 180.0° |
| CD | N | CAW | OAU | 176.5° | 0.1° |
| CD | N | CA | HA | 86.5° | 120.5° |
| N | CD | CG | HG1C | 110.7° | 81.1° |
| N | CD | CG | HG2C | 127.9° | 155.1° |
| N | CD | HD1C | HD2C | 119.1° | 122.3° |
| N | CAW | OAC | OAU | 167.6° | 179.9° |
| N | CAW | OAU | CAS | 106.7° | 179.9° |
| CAW | N | CA | HA | 79.2° | 59.5° |
| CAW | N | CD | HD1C | 60.1° | 37.1° |
| CAW | N | CD | HD2C | 59.3° | 85.2° |
| OAC | CAW | OAU | CAS | 86.0° | 0.0° |
| CAW | OAU | CAS | CAY | 164.4° | 180.0° |
| CAW | OAU | CAS | HAS1 | 76.6° | 60.0° |
| CAW | OAU | CAS | HAS2 | 45.4° | 60.0° |
| OAU | CAS | CAY | HAS1 | 119.0° | 120.0° |
| OAU | CAS | CAY | HAS2 | 119.0° | 120.0° |
| OAU | CAS | CAY | CAH | 121.1° | 90.0° |
| OAU | CAS | CAY | CAI | 56.3° | 90.3° |
| OAU | CAS | HAS1 | HAS2 | 122.9° | 119.9° |
| CAS | CAY | CAH | CAI | 177.5° | 179.7° |
| CAS | CAY | CAH | CAF | 175.8° | 179.9° |
| CAS | CAY | CAI | CAG | 177.3° | 179.8° |
| CAY | CAS | HAS1 | HAS2 | 122.9° | 120.1° |
| CAS | CAY | CAH | HAH | 4.2° | 0.1° |
| CAS | CAY | CAI | HAI | 2.7° | 0.0° |
| CAY | CAH | CAF | HAH | 180.0° | 180.0° |
| CAY | CAH | CAF | CAE | 1.7° | 0.0° |
| CAH | CAY | CAI | CAG | 0.4° | 0.5° |
| CAH | CAY | CAS | HAS1 | 2.1° | 29.9° |
| CAH | CAY | CAS | HAS2 | 119.9° | 150.0° |
| CAH | CAY | CAI | HAI | 179.6° | 179.7° |
| CAY | CAH | CAF | HAF | 178.3° | 179.9° |
| CAI | CAY | CAH | CAF | 1.7° | 0.3° |
| CAY | CAI | CAG | CAE | 0.9° | 0.4° |
| CAY | CAI | CAG | HAI | 180.0° | 179.8° |
| CAI | CAY | CAS | HAS1 | 175.4° | 149.7° |
| CAI | CAY | CAS | HAS2 | 62.7° | 29.7° |
| CAI | CAY | CAH | HAH | 178.3° | 179.8° |
| CAY | CAI | CAG | HAG | 179.1° | 179.7° |
| CAH | CAF | CAE | HAF | 180.0° | 179.9° |
| CAH | CAF | CAE | CAG | 0.3° | 0.1° |
| CAH | CAF | CAE | HAE | 179.7° | 179.9° |
| CAF | CAE | CAG | HAE | 180.0° | 180.0° |
| CAF | CAE | CAG | CAI | 1.0° | 0.1° |
| CAE | CAF | CAH | HAH | 178.3° | 179.9° |
| CAF | CAE | CAG | HAG | 179.0° | 180.0° |
| CAE | CAG | CAI | HAG | 180.0° | 179.8° |
| CAE | CAG | CAI | HAI | 179.1° | 179.8° |
| CAG | CAE | CAF | HAF | 179.7° | 180.0° |
| CAI | CAG | CAE | HAE | 179.0° | 179.8° |
| HAN1 | CAN | CAD | HAD | 142.3° | 65.3° |
| HAN1 | CAN | CAP | HAP1 | 129.0° | 180.0° |
| HAN1 | CAN | CAP | HAP2 | 111.7° | 60.0° |
| HAN2 | CAN | CAD | HAD | 98.5° | 174.7° |
| HAN2 | CAN | CAP | HAP1 | 9.8° | 60.0° |
| HAN2 | CAN | CAP | HAP2 | 129.1° | 180.0° |
| HAK | CAK | CAM | HAM | 1.3° | 0.0° |
| HAJ | CAJ | CAL | HAL | 2.7° | 0.0° |
| HA | CA | CB | HB1C | 36.2° | 20.9° |
| HA | CA | CB | HB2C | 158.8° | 144.3° |
| HB1C | CB | CG | HG1C | 22.7° | 35.8° |
| HB1C | CB | CG | HG2C | 98.7° | 88.1° |
| HB2C | CB | CG | HG1C | 145.2° | 159.1° |
| HB2C | CB | CG | HG2C | 23.9° | 35.2° |
| HG1C | CG | CD | HD1C | 9.5° | 37.8° |
| HG1C | CG | CD | HD2C | 128.9° | 160.1° |
| HG2C | CG | CD | HD1C | 111.8° | 86.1° |
| HG2C | CG | CD | HD2C | 7.6° | 36.3° |
| HAH | CAH | CAF | HAF | 1.7° | 0.0° |
| HAI | CAI | CAG | HAG | 0.9° | 0.1° |
| HAF | CAF | CAE | HAE | 0.3° | 0.0° |
| HAE | CAE | CAG | HAG | 1.0° | 0.0° |
