YM7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAG | sing | 1.53Å | 1.50Å | |
| CAI | CAW | sing | 1.53Å | 1.47Å | |
| CAG | NAP | sing | 1.47Å | 1.46Å | |
| NAP | CAH | sing | 1.47Å | 1.47Å | |
| CAH | CAJ | sing | 1.53Å | 1.50Å | |
| CAJ | CAW | sing | 1.53Å | 1.46Å | |
| CAW | CAK | sing | 1.53Å | 1.57Å | |
| CAK | NAQ | sing | 1.47Å | 1.45Å | |
| NAQ | C6 | sing | 1.39Å | 1.49Å | |
| C6 | C5 | sing | 1.39Å | 1.47Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.43Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.42Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.32Å | Aromatic |
| C4 | NAR | sing | 1.39Å | 1.38Å | |
| NAR | CAT | sing | 1.39Å | 1.48Å | |
| CAT | CAE | sing | 1.40Å | 1.42Å | Aromatic |
| CAT | NAO | doub | 1.33Å | 1.36Å | Aromatic |
| CAE | NAN | doub | 1.32Å | 1.35Å | Aromatic |
| NAN | CAS | sing | 1.33Å | 1.33Å | Aromatic |
| CAS | CAB | sing | 1.43Å | 1.49Å | |
| CAS | CAD | doub | 1.40Å | 1.44Å | Aromatic |
| CAB | NAA | trip | 1.14Å | 1.14Å | |
| CAD | NAO | sing | 1.32Å | 1.34Å | Aromatic |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| NAP | HAP | sing | 1.01Å | 1.00Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ1 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| NAQ | HAQ | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| NAR | HAR | sing | 0.97Å | 1.00Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAI | CAW | 112.0° | 109.2° |
| CAI | CAG | NAP | 113.0° | 109.5° |
| CAG | CAI | HAI1 | 108.8° | 109.5° |
| CAG | CAI | HAI2 | 108.8° | 109.5° |
| CAI | CAG | HAG1 | 108.6° | 109.4° |
| CAI | CAG | HAG2 | 108.6° | 109.4° |
| CAI | CAW | CAJ | 112.2° | 109.2° |
| CAI | CAW | CAK | 109.9° | 109.5° |
| CAW | CAI | HAI1 | 108.8° | 109.5° |
| CAW | CAI | HAI2 | 108.8° | 109.5° |
| CAI | CAW | HAW | 108.9° | 109.5° |
| CAG | NAP | CAH | 112.6° | 111.2° |
| NAP | CAG | HAG1 | 108.6° | 109.5° |
| NAP | CAG | HAG2 | 108.6° | 109.5° |
| CAG | NAP | HAP | 108.7° | 111.0° |
| NAP | CAH | CAJ | 111.9° | 109.5° |
| CAH | NAP | HAP | 108.7° | 111.0° |
| NAP | CAH | HAH1 | 108.9° | 109.4° |
| NAP | CAH | HAH2 | 108.9° | 109.5° |
| CAH | CAJ | CAW | 112.0° | 109.3° |
| CAJ | CAH | HAH1 | 108.9° | 109.5° |
| CAJ | CAH | HAH2 | 108.9° | 109.5° |
| CAH | CAJ | HAJ1 | 108.8° | 109.5° |
| CAH | CAJ | HAJ2 | 108.8° | 109.5° |
| CAJ | CAW | CAK | 108.8° | 109.5° |
| CAJ | CAW | HAW | 109.1° | 109.6° |
| CAW | CAJ | HAJ1 | 108.8° | 109.5° |
| CAW | CAJ | HAJ2 | 108.8° | 109.5° |
| CAW | CAK | NAQ | 117.3° | 109.4° |
| CAK | CAW | HAW | 107.7° | 109.6° |
| CAW | CAK | HAK1 | 107.5° | 109.5° |
| CAW | CAK | HAK2 | 107.5° | 109.5° |
| CAK | NAQ | C6 | 119.8° | 120.0° |
| NAQ | CAK | HAK1 | 107.5° | 109.5° |
| NAQ | CAK | HAK2 | 107.5° | 109.4° |
| CAK | NAQ | HAQ | 106.8° | 120.0° |
| NAQ | C6 | C5 | 120.1° | 120.5° |
| NAQ | C6 | N1 | 120.0° | 120.5° |
| C6 | NAQ | HAQ | 106.8° | 120.0° |
| C5 | C6 | N1 | 119.9° | 119.0° |
| C6 | C5 | C4 | 118.5° | 118.3° |
| C6 | C5 | H5 | 120.7° | 120.8° |
| C6 | N1 | C2 | 119.8° | 120.9° |
| C5 | C4 | N3 | 119.1° | 119.1° |
| C5 | C4 | NAR | 121.7° | 120.5° |
| C4 | C5 | H5 | 120.8° | 120.9° |
| N1 | C2 | N3 | 121.5° | 121.9° |
| N1 | C2 | H2 | 119.3° | 119.0° |
| C2 | N3 | C4 | 121.2° | 120.9° |
| N3 | C2 | H2 | 119.3° | 119.0° |
| N3 | C4 | NAR | 119.2° | 120.5° |
| C4 | NAR | CAT | 123.5° | 120.0° |
| C4 | NAR | HAR | 118.3° | 120.0° |
| NAR | CAT | CAE | 119.4° | 120.0° |
| NAR | CAT | NAO | 120.4° | 120.0° |
| CAT | NAR | HAR | 118.3° | 120.0° |
| CAE | CAT | NAO | 120.1° | 120.0° |
| CAT | CAE | NAN | 120.4° | 120.0° |
| CAT | CAE | HAE | 119.8° | 120.0° |
| CAT | NAO | CAD | 119.3° | 120.0° |
| CAE | NAN | CAS | 119.8° | 120.0° |
| NAN | CAE | HAE | 119.8° | 119.9° |
| NAN | CAS | CAB | 120.1° | 120.1° |
| NAN | CAS | CAD | 120.3° | 119.9° |
| CAB | CAS | CAD | 119.6° | 120.0° |
| CAS | CAB | NAA | 179.4° | 179.9° |
| CAS | CAD | NAO | 120.1° | 120.0° |
| CAS | CAD | HAD | 120.0° | 120.0° |
| NAO | CAD | HAD | 119.9° | 120.0° |
| HAI1 | CAI | HAI2 | 109.5° | 109.6° |
| HAG1 | CAG | HAG2 | 109.5° | 109.5° |
| HAH1 | CAH | HAH2 | 109.4° | 109.5° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAI | CAW | HAI1 | 120.4° | 119.9° |
| CAG | CAI | CAW | HAI2 | 120.4° | 119.9° |
| CAI | CAG | NAP | HAG1 | 120.5° | 120.0° |
| CAI | CAG | NAP | HAG2 | 120.5° | 120.0° |
| CAI | CAG | NAP | CAH | 51.2° | 61.8° |
| CAG | CAI | CAW | CAJ | 51.9° | 57.7° |
| CAG | CAI | CAW | CAK | 173.1° | 177.6° |
| CAG | CAI | HAI1 | HAI2 | 118.8° | 120.1° |
| CAI | CAG | HAG1 | HAG2 | 118.4° | 120.0° |
| CAG | CAI | CAW | HAW | 69.0° | 62.3° |
| CAI | CAG | NAP | HAP | 69.3° | 62.4° |
| CAW | CAI | CAG | NAP | 50.7° | 59.2° |
| CAI | CAW | CAJ | CAH | 53.7° | 57.7° |
| CAI | CAW | CAJ | CAK | 121.9° | 119.8° |
| CAI | CAW | CAJ | HAW | 120.8° | 119.9° |
| CAI | CAW | CAK | HAW | 118.6° | 120.1° |
| CAI | CAW | CAK | NAQ | 155.2° | 175.0° |
| CAW | CAI | HAI1 | HAI2 | 118.8° | 120.2° |
| CAW | CAI | CAG | HAG1 | 171.2° | 179.2° |
| CAW | CAI | CAG | HAG2 | 69.8° | 60.9° |
| CAI | CAW | CAJ | HAJ1 | 66.6° | 62.3° |
| CAI | CAW | CAJ | HAJ2 | 174.1° | 177.6° |
| CAI | CAW | CAK | HAK1 | 83.7° | 55.0° |
| CAI | CAW | CAK | HAK2 | 34.0° | 65.0° |
| CAG | NAP | CAH | HAP | 120.5° | 124.2° |
| CAG | NAP | CAH | CAJ | 52.4° | 61.8° |
| NAP | CAG | CAI | HAI1 | 171.0° | 179.1° |
| NAP | CAG | CAI | HAI2 | 69.7° | 60.7° |
| NAP | CAG | HAG1 | HAG2 | 118.4° | 120.0° |
| CAG | NAP | CAH | HAH1 | 172.8° | 178.2° |
| CAG | NAP | CAH | HAH2 | 67.9° | 58.2° |
| NAP | CAH | CAJ | HAH1 | 120.4° | 120.0° |
| NAP | CAH | CAJ | HAH2 | 120.4° | 120.0° |
| NAP | CAH | CAJ | CAW | 53.8° | 59.2° |
| CAH | NAP | CAG | HAG1 | 171.7° | 178.2° |
| CAH | NAP | CAG | HAG2 | 69.3° | 58.2° |
| NAP | CAH | HAH1 | HAH2 | 118.9° | 120.0° |
| NAP | CAH | CAJ | HAJ1 | 66.6° | 60.8° |
| NAP | CAH | CAJ | HAJ2 | 174.2° | 179.1° |
| CAH | CAJ | CAW | HAJ1 | 120.3° | 119.9° |
| CAH | CAJ | CAW | HAJ2 | 120.4° | 119.9° |
| CAH | CAJ | CAW | CAK | 175.6° | 177.5° |
| CAH | CAJ | CAW | HAW | 67.1° | 62.2° |
| CAJ | CAH | NAP | HAP | 68.0° | 62.4° |
| CAJ | CAH | HAH1 | HAH2 | 118.9° | 120.0° |
| CAH | CAJ | HAJ1 | HAJ2 | 118.8° | 120.1° |
| CAJ | CAW | CAK | HAW | 118.2° | 120.2° |
| CAJ | CAW | CAK | NAQ | 31.9° | 65.3° |
| CAJ | CAW | CAI | HAI1 | 172.3° | 177.6° |
| CAJ | CAW | CAI | HAI2 | 68.4° | 62.2° |
| CAW | CAJ | CAH | HAH1 | 174.2° | 179.2° |
| CAW | CAJ | CAH | HAH2 | 66.6° | 60.8° |
| CAW | CAJ | HAJ1 | HAJ2 | 118.9° | 120.1° |
| CAJ | CAW | CAK | HAK1 | 153.0° | 174.7° |
| CAJ | CAW | CAK | HAK2 | 89.2° | 54.6° |
| CAW | CAK | NAQ | HAK1 | 121.1° | 120.0° |
| CAW | CAK | NAQ | HAK2 | 121.1° | 120.0° |
| CAW | CAK | NAQ | C6 | 144.2° | 180.0° |
| CAK | CAW | CAI | HAI1 | 66.5° | 62.5° |
| CAK | CAW | CAI | HAI2 | 52.8° | 57.7° |
| CAK | CAW | CAJ | HAJ1 | 55.3° | 57.6° |
| CAK | CAW | CAJ | HAJ2 | 64.0° | 62.5° |
| CAW | CAK | HAK1 | HAK2 | 116.5° | 120.0° |
| CAW | CAK | NAQ | HAQ | 94.3° | 0.0° |
| CAK | NAQ | C6 | HAQ | 121.5° | 180.0° |
| CAK | NAQ | C6 | C5 | 163.5° | 0.0° |
| CAK | NAQ | C6 | N1 | 16.0° | 179.7° |
| NAQ | CAK | CAW | HAW | 86.2° | 54.9° |
| NAQ | CAK | HAK1 | HAK2 | 116.5° | 120.0° |
| NAQ | C6 | C5 | N1 | 179.5° | 179.7° |
| NAQ | C6 | C5 | C4 | 179.5° | 180.0° |
| NAQ | C6 | N1 | C2 | 179.7° | 180.0° |
| C6 | NAQ | CAK | HAK1 | 23.1° | 60.0° |
| C6 | NAQ | CAK | HAK2 | 94.7° | 60.0° |
| NAQ | C6 | C5 | H5 | 0.5° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.3° |
| C6 | C5 | C4 | N3 | 0.0° | 0.0° |
| C6 | C5 | C4 | NAR | 179.3° | 180.0° |
| C5 | C6 | NAQ | HAQ | 42.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.3° |
| C6 | N1 | C2 | N3 | 0.3° | 0.0° |
| N1 | C6 | NAQ | HAQ | 137.5° | 0.3° |
| N1 | C6 | C5 | H5 | 179.9° | 179.7° |
| C6 | N1 | C2 | H2 | 179.7° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.2° |
| C5 | C4 | N3 | NAR | 179.4° | 180.0° |
| C5 | C4 | NAR | CAT | 6.9° | 174.7° |
| C5 | C4 | NAR | HAR | 173.1° | 5.2° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.3° | 0.2° |
| C2 | N3 | C4 | NAR | 179.2° | 179.8° |
| N3 | C4 | NAR | CAT | 172.5° | 5.3° |
| N3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | N3 | C2 | H2 | 179.7° | 179.8° |
| N3 | C4 | NAR | HAR | 7.5° | 174.8° |
| C4 | NAR | CAT | HAR | 180.0° | 179.9° |
| C4 | NAR | CAT | CAE | 160.5° | 174.8° |
| C4 | NAR | CAT | NAO | 22.5° | 5.1° |
| NAR | C4 | C5 | H5 | 0.7° | 0.0° |
| NAR | CAT | CAE | NAO | 177.0° | 179.8° |
| NAR | CAT | CAE | NAN | 177.4° | 180.0° |
| NAR | CAT | NAO | CAD | 177.3° | 179.7° |
| NAR | CAT | CAE | HAE | 2.7° | 0.1° |
| CAT | CAE | NAN | HAE | 180.0° | 180.0° |
| CAT | CAE | NAN | CAS | 0.7° | 0.0° |
| CAE | CAT | NAO | CAD | 0.3° | 0.5° |
| CAE | CAT | NAR | HAR | 19.5° | 5.1° |
| NAO | CAT | CAE | NAN | 0.4° | 0.2° |
| CAT | NAO | CAD | CAS | 0.6° | 0.5° |
| NAO | CAT | NAR | HAR | 157.5° | 175.1° |
| NAO | CAT | CAE | HAE | 179.6° | 179.7° |
| CAT | NAO | CAD | HAD | 179.4° | 179.7° |
| CAE | NAN | CAS | CAB | 179.6° | 180.0° |
| CAE | NAN | CAS | CAD | 0.9° | 0.0° |
| NAN | CAS | CAB | CAD | 179.5° | 179.9° |
| NAN | CAS | CAB | NAA | 114.5° | 101.7° |
| NAN | CAS | CAD | NAO | 0.9° | 0.2° |
| CAS | NAN | CAE | HAE | 179.4° | 180.0° |
| NAN | CAS | CAD | HAD | 179.1° | 180.0° |
| CAB | CAS | CAD | NAO | 179.6° | 179.7° |
| CAB | CAS | CAD | HAD | 0.4° | 0.1° |
| CAD | CAS | CAB | NAA | 65.9° | 78.4° |
| CAS | CAD | NAO | HAD | 180.0° | 179.8° |
| HAI1 | CAI | CAG | HAG1 | 68.4° | 60.9° |
| HAI1 | CAI | CAG | HAG2 | 50.5° | 59.1° |
| HAI1 | CAI | CAW | HAW | 51.4° | 57.6° |
| HAI2 | CAI | CAG | HAG1 | 50.8° | 59.3° |
| HAI2 | CAI | CAG | HAG2 | 169.8° | 179.2° |
| HAI2 | CAI | CAW | HAW | 170.6° | 177.8° |
| HAG1 | CAG | NAP | HAP | 51.3° | 57.6° |
| HAG2 | CAG | NAP | HAP | 170.2° | 177.6° |
| HAW | CAW | CAJ | HAJ1 | 172.6° | 177.8° |
| HAW | CAW | CAJ | HAJ2 | 53.3° | 57.7° |
| HAW | CAW | CAK | HAK1 | 34.8° | 65.1° |
| HAW | CAW | CAK | HAK2 | 152.6° | 174.9° |
| HAP | NAP | CAH | HAH1 | 52.4° | 57.6° |
| HAP | NAP | CAH | HAH2 | 171.6° | 177.6° |
| HAH1 | CAH | CAJ | HAJ1 | 53.8° | 59.2° |
| HAH1 | CAH | CAJ | HAJ2 | 65.4° | 60.9° |
| HAH2 | CAH | CAJ | HAJ1 | 173.1° | 179.2° |
| HAH2 | CAH | CAJ | HAJ2 | 53.8° | 59.1° |
| HAK1 | CAK | NAQ | HAQ | 144.6° | 120.0° |
| HAK2 | CAK | NAQ | HAQ | 26.8° | 120.0° |
