MMK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAT | CAS | sing | 1.35Å | 1.28Å | |
| CAS | OAU | doub | 1.21Å | 1.26Å | |
| CAS | CAO | sing | 1.48Å | 1.39Å | |
| CAO | CAN | doub | 1.40Å | 1.41Å | Aromatic |
| CAO | CAP | sing | 1.40Å | 1.36Å | Aromatic |
| CAN | CAM | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.41Å | Aromatic |
| CAQ | NAR | sing | 1.32Å | 1.34Å | Aromatic |
| NAR | CAM | doub | 1.32Å | 1.37Å | Aromatic |
| CAM | CAL | sing | 1.51Å | 1.47Å | |
| CAL | N | sing | 1.47Å | 1.52Å | |
| N | CA | sing | 1.47Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | NAC | sing | 1.35Å | 1.39Å | |
| NAC | CAB | sing | 1.47Å | 1.51Å | |
| NAC | CAD | sing | 1.40Å | 1.52Å | |
| CAB | CAA | sing | 1.53Å | 1.57Å | |
| CAD | CAE | doub | 1.32Å | 1.30Å | |
| CAE | NAF | sing | 1.40Å | 1.48Å | |
| NAF | CAH | sing | 1.46Å | 1.47Å | |
| NAF | CAG | sing | 1.47Å | 1.48Å | |
| OAT | HAT | sing | 0.97Å | 0.95Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | HA1C | sing | 1.09Å | 1.10Å | |
| CA | HA2C | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH3 | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAT | CAS | OAU | 118.6° | 120.0° |
| OAT | CAS | CAO | 124.3° | 120.0° |
| CAS | OAT | HAT | 109.5° | 117.0° |
| OAU | CAS | CAO | 117.1° | 120.0° |
| CAS | CAO | CAN | 123.7° | 120.9° |
| CAS | CAO | CAP | 119.6° | 121.0° |
| CAN | CAO | CAP | 116.7° | 118.1° |
| CAO | CAN | CAM | 122.5° | 119.0° |
| CAO | CAN | HAN | 118.8° | 120.5° |
| CAO | CAP | CAQ | 120.2° | 119.0° |
| CAO | CAP | HAP | 119.9° | 120.5° |
| CAN | CAM | NAR | 118.4° | 120.9° |
| CAN | CAM | CAL | 122.4° | 119.5° |
| CAM | CAN | HAN | 118.8° | 120.5° |
| CAP | CAQ | NAR | 122.3° | 120.9° |
| CAQ | CAP | HAP | 119.9° | 120.5° |
| CAP | CAQ | HAQ | 118.8° | 119.6° |
| CAQ | NAR | CAM | 119.8° | 122.1° |
| NAR | CAQ | HAQ | 118.8° | 119.6° |
| NAR | CAM | CAL | 119.2° | 119.6° |
| CAM | CAL | N | 110.8° | 109.5° |
| CAM | CAL | HAL1 | 109.1° | 109.5° |
| CAM | CAL | HAL2 | 109.1° | 109.5° |
| CAL | N | CA | 110.5° | 111.0° |
| N | CAL | HAL1 | 109.2° | 109.5° |
| N | CAL | HAL2 | 109.2° | 109.5° |
| CAL | N | H | 109.2° | 111.0° |
| N | CA | C | 112.6° | 109.5° |
| CA | N | H | 109.2° | 110.9° |
| N | CA | HA1C | 108.7° | 109.4° |
| N | CA | HA2C | 108.7° | 109.5° |
| CA | C | O | 120.5° | 120.0° |
| CA | C | NAC | 117.1° | 120.0° |
| C | CA | HA1C | 108.7° | 109.5° |
| C | CA | HA2C | 108.7° | 109.5° |
| O | C | NAC | 122.4° | 120.0° |
| C | NAC | CAB | 124.4° | 120.0° |
| C | NAC | CAD | 118.7° | 120.0° |
| CAB | NAC | CAD | 116.3° | 120.0° |
| NAC | CAB | CAA | 114.6° | 109.5° |
| NAC | CAB | HAB1 | 108.2° | 109.4° |
| NAC | CAB | HAB2 | 108.2° | 109.5° |
| NAC | CAD | CAE | 106.9° | 120.0° |
| NAC | CAD | HAD | 126.5° | 120.0° |
| CAA | CAB | HAB1 | 108.1° | 109.5° |
| CAA | CAB | HAB2 | 108.2° | 109.5° |
| CAB | CAA | HAA1 | 109.5° | 109.5° |
| CAB | CAA | HAA2 | 109.5° | 109.5° |
| CAB | CAA | HAA3 | 109.4° | 109.5° |
| CAD | CAE | NAF | 103.3° | 120.0° |
| CAE | CAD | HAD | 126.6° | 120.0° |
| CAD | CAE | HAE | 128.3° | 120.0° |
| CAE | NAF | CAH | 112.1° | 120.0° |
| CAE | NAF | CAG | 108.4° | 120.0° |
| NAF | CAE | HAE | 128.4° | 120.0° |
| CAH | NAF | CAG | 111.6° | 120.0° |
| NAF | CAH | HAH1 | 109.5° | 109.5° |
| NAF | CAH | HAH2 | 109.5° | 109.5° |
| NAF | CAH | HAH3 | 109.4° | 109.5° |
| NAF | CAG | HAG1 | 109.5° | 109.5° |
| NAF | CAG | HAG2 | 109.4° | 109.5° |
| NAF | CAG | HAG3 | 109.5° | 109.4° |
| HAL1 | CAL | HAL2 | 109.5° | 109.5° |
| HA1C | CA | HA2C | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.4° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAH1 | CAH | HAH2 | 109.4° | 109.4° |
| HAH1 | CAH | HAH3 | 109.4° | 109.5° |
| HAH2 | CAH | HAH3 | 109.5° | 109.5° |
| HAG1 | CAG | HAG2 | 109.5° | 109.5° |
| HAG1 | CAG | HAG3 | 109.5° | 109.5° |
| HAG2 | CAG | HAG3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAT | CAS | OAU | CAO | 179.3° | 180.0° |
| OAT | CAS | CAO | CAN | 129.7° | 180.0° |
| OAT | CAS | CAO | CAP | 49.9° | 0.3° |
| OAU | CAS | CAO | CAN | 51.1° | 0.0° |
| OAU | CAS | CAO | CAP | 129.3° | 179.7° |
| OAU | CAS | OAT | HAT | 0.0° | 0.0° |
| CAS | CAO | CAN | CAP | 179.6° | 179.7° |
| CAS | CAO | CAN | CAM | 179.8° | 180.0° |
| CAS | CAO | CAP | CAQ | 178.3° | 180.0° |
| CAO | CAS | OAT | HAT | 179.2° | 180.0° |
| CAS | CAO | CAN | HAN | 0.2° | 0.0° |
| CAS | CAO | CAP | HAP | 1.8° | 0.0° |
| CAO | CAN | CAM | HAN | 180.0° | 180.0° |
| CAN | CAO | CAP | CAQ | 2.1° | 0.3° |
| CAO | CAN | CAM | NAR | 2.2° | 0.0° |
| CAO | CAN | CAM | CAL | 179.6° | 180.0° |
| CAN | CAO | CAP | HAP | 177.9° | 179.7° |
| CAP | CAO | CAN | CAM | 0.2° | 0.3° |
| CAO | CAP | CAQ | HAP | 180.0° | 180.0° |
| CAO | CAP | CAQ | NAR | 1.7° | 0.0° |
| CAP | CAO | CAN | HAN | 179.8° | 179.8° |
| CAO | CAP | CAQ | HAQ | 178.3° | 180.0° |
| CAN | CAM | NAR | CAQ | 2.7° | 0.2° |
| CAN | CAM | NAR | CAL | 177.4° | 179.9° |
| CAN | CAM | CAL | N | 152.3° | 95.0° |
| CAN | CAM | CAL | HAL1 | 87.5° | 145.0° |
| CAN | CAM | CAL | HAL2 | 32.1° | 25.0° |
| CAP | CAQ | NAR | HAQ | 180.0° | 180.0° |
| CAP | CAQ | NAR | CAM | 0.8° | 0.3° |
| CAQ | NAR | CAM | CAL | 179.9° | 179.7° |
| NAR | CAQ | CAP | HAP | 178.3° | 180.0° |
| NAR | CAM | CAL | N | 30.4° | 85.0° |
| NAR | CAM | CAN | HAN | 177.7° | 180.0° |
| CAM | NAR | CAQ | HAQ | 179.2° | 179.8° |
| NAR | CAM | CAL | HAL1 | 89.8° | 35.1° |
| NAR | CAM | CAL | HAL2 | 150.6° | 155.0° |
| CAM | CAL | N | HAL1 | 120.2° | 120.0° |
| CAM | CAL | N | HAL2 | 120.2° | 120.0° |
| CAM | CAL | N | CA | 159.4° | 180.0° |
| CAL | CAM | CAN | HAN | 0.4° | 0.1° |
| CAM | CAL | HAL1 | HAL2 | 119.4° | 120.0° |
| CAM | CAL | N | H | 80.5° | 56.1° |
| CAL | N | CA | H | 120.2° | 124.0° |
| CAL | N | CA | C | 68.7° | 180.0° |
| N | CAL | HAL1 | HAL2 | 119.4° | 120.0° |
| CAL | N | CA | HA1C | 170.8° | 60.0° |
| CAL | N | CA | HA2C | 51.7° | 60.0° |
| N | CA | C | HA1C | 120.5° | 119.9° |
| N | CA | C | HA2C | 120.5° | 120.0° |
| N | CA | C | O | 8.5° | 0.0° |
| N | CA | C | NAC | 172.1° | 180.0° |
| CA | N | CAL | HAL1 | 39.2° | 60.0° |
| CA | N | CAL | HAL2 | 80.4° | 60.0° |
| N | CA | HA1C | HA2C | 118.5° | 120.0° |
| CA | C | O | NAC | 179.4° | 179.9° |
| CA | C | NAC | CAB | 7.1° | 0.0° |
| CA | C | NAC | CAD | 178.3° | 180.0° |
| C | CA | N | H | 51.4° | 56.1° |
| C | CA | HA1C | HA2C | 118.6° | 120.1° |
| O | C | NAC | CAB | 172.3° | 180.0° |
| O | C | NAC | CAD | 1.1° | 0.1° |
| O | C | CA | HA1C | 112.0° | 120.0° |
| O | C | CA | HA2C | 129.0° | 120.0° |
| C | NAC | CAB | CAD | 171.4° | 180.0° |
| C | NAC | CAB | CAA | 86.6° | 90.0° |
| C | NAC | CAD | CAE | 74.9° | 180.0° |
| NAC | C | CA | HA1C | 67.5° | 60.1° |
| NAC | C | CA | HA2C | 51.6° | 60.0° |
| C | NAC | CAB | HAB1 | 152.6° | 150.0° |
| C | NAC | CAB | HAB2 | 34.2° | 30.0° |
| C | NAC | CAD | HAD | 105.1° | 0.1° |
| NAC | CAB | CAA | HAB1 | 120.8° | 120.0° |
| NAC | CAB | CAA | HAB2 | 120.8° | 120.0° |
| CAB | NAC | CAD | CAE | 113.2° | 0.1° |
| NAC | CAB | HAB1 | HAB2 | 117.7° | 119.9° |
| CAB | NAC | CAD | HAD | 66.8° | 180.0° |
| NAC | CAB | CAA | HAA1 | 180.0° | 180.0° |
| NAC | CAB | CAA | HAA2 | 60.0° | 60.0° |
| NAC | CAB | CAA | HAA3 | 60.0° | 60.0° |
| CAD | NAC | CAB | CAA | 102.0° | 90.0° |
| NAC | CAD | CAE | HAD | 180.0° | 179.9° |
| NAC | CAD | CAE | NAF | 171.5° | 180.0° |
| CAD | NAC | CAB | HAB1 | 18.8° | 30.0° |
| CAD | NAC | CAB | HAB2 | 137.2° | 149.9° |
| NAC | CAD | CAE | HAE | 8.5° | 0.1° |
| CAA | CAB | HAB1 | HAB2 | 117.6° | 120.1° |
| CAB | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAB | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAB | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAD | CAE | NAF | HAE | 180.0° | 179.9° |
| CAD | CAE | NAF | CAH | 67.0° | 0.1° |
| CAD | CAE | NAF | CAG | 56.6° | 180.0° |
| CAE | NAF | CAH | CAG | 121.8° | 179.9° |
| NAF | CAE | CAD | HAD | 8.5° | 0.1° |
| CAE | NAF | CAH | HAH1 | 180.0° | 90.1° |
| CAE | NAF | CAH | HAH2 | 60.0° | 150.0° |
| CAE | NAF | CAH | HAH3 | 60.0° | 29.9° |
| CAE | NAF | CAG | HAG1 | 180.0° | 0.1° |
| CAE | NAF | CAG | HAG2 | 60.0° | 120.0° |
| CAE | NAF | CAG | HAG3 | 60.0° | 120.1° |
| CAH | NAF | CAE | HAE | 113.1° | 180.0° |
| NAF | CAH | HAH1 | HAH2 | 120.0° | 120.0° |
| NAF | CAH | HAH1 | HAH3 | 120.0° | 120.0° |
| NAF | CAH | HAH2 | HAH3 | 120.0° | 120.1° |
| CAH | NAF | CAG | HAG1 | 56.1° | 180.0° |
| CAH | NAF | CAG | HAG2 | 176.1° | 60.0° |
| CAH | NAF | CAG | HAG3 | 63.9° | 60.0° |
| CAG | NAF | CAE | HAE | 123.3° | 0.1° |
| CAG | NAF | CAH | HAH1 | 58.2° | 90.0° |
| CAG | NAF | CAH | HAH2 | 61.8° | 29.9° |
| CAG | NAF | CAH | HAH3 | 178.2° | 150.0° |
| NAF | CAG | HAG1 | HAG2 | 120.0° | 120.0° |
| NAF | CAG | HAG1 | HAG3 | 120.0° | 120.0° |
| NAF | CAG | HAG2 | HAG3 | 120.0° | 120.0° |
| HAP | CAP | CAQ | HAQ | 1.7° | 0.1° |
| HAL1 | CAL | N | H | 159.4° | 176.1° |
| HAL2 | CAL | N | H | 39.8° | 63.9° |
| H | N | CA | HA1C | 69.0° | 176.1° |
| H | N | CA | HA2C | 171.9° | 64.0° |
| HAB1 | CAB | CAA | HAA1 | 59.2° | 60.0° |
| HAB1 | CAB | CAA | HAA2 | 179.2° | 180.0° |
| HAB1 | CAB | CAA | HAA3 | 60.8° | 60.0° |
| HAB2 | CAB | CAA | HAA1 | 59.2° | 60.0° |
| HAB2 | CAB | CAA | HAA2 | 60.8° | 60.0° |
| HAB2 | CAB | CAA | HAA3 | 179.2° | 180.0° |
| HAD | CAD | CAE | HAE | 171.5° | 180.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAH1 | CAH | HAH2 | HAH3 | 120.0° | 120.0° |
| HAG1 | CAG | HAG2 | HAG3 | 120.0° | 120.0° |
