K2H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.32Å | |
| N7 | C5 | sing | 1.36Å | 1.32Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.37Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| CBF | OBG | sing | 1.43Å | 1.42Å | |
| CBF | CBD | sing | 1.55Å | 1.52Å | |
| CBF | CAK | sing | 1.55Å | 1.52Å | |
| N1 | C2 | doub | 1.32Å | 1.31Å | Aromatic |
| OBE | CBD | sing | 1.43Å | 1.42Å | |
| C4 | N9 | sing | 1.37Å | 1.32Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.33Å | Aromatic |
| N9 | CAK | sing | 1.46Å | 1.46Å | |
| CBD | CAM | sing | 1.54Å | 1.53Å | |
| C2 | N3 | sing | 1.32Å | 1.31Å | Aromatic |
| CAK | OAL | sing | 1.44Å | 1.42Å | |
| OAL | CAM | sing | 1.44Å | 1.42Å | |
| CAM | CAN | sing | 1.53Å | 1.55Å | |
| CAN | NAO | sing | 1.47Å | 1.49Å | |
| NBB | CAY | sing | 1.38Å | 1.32Å | |
| CAY | NAX | doub | 1.33Å | 1.33Å | Aromatic |
| CAY | CAZ | sing | 1.41Å | 1.38Å | Aromatic |
| NAO | CBC | sing | 1.47Å | 1.47Å | |
| NAO | CAP | sing | 1.47Å | 1.49Å | |
| NBA | CAZ | sing | 1.35Å | 1.32Å | Aromatic |
| NBA | CAS | doub | 1.31Å | 1.33Å | Aromatic |
| NAX | CAW | sing | 1.32Å | 1.32Å | Aromatic |
| CAZ | CAU | doub | 1.41Å | 1.38Å | Aromatic |
| CAS | CAR | sing | 1.43Å | 1.42Å | |
| CAS | NAT | sing | 1.37Å | 1.32Å | Aromatic |
| CAR | CAQ | trip | 1.17Å | 1.21Å | |
| CAQ | CAP | sing | 1.47Å | 1.47Å | |
| CAW | NAV | doub | 1.32Å | 1.31Å | Aromatic |
| CAU | NAT | sing | 1.37Å | 1.32Å | Aromatic |
| CAU | NAV | sing | 1.33Å | 1.33Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAP | H8 | sing | 1.09Å | 1.10Å | |
| CAW | H9 | sing | 1.08Å | 1.08Å | |
| CBC | H10 | sing | 1.09Å | 1.10Å | |
| CBC | H11 | sing | 1.09Å | 1.10Å | |
| CBC | H12 | sing | 1.09Å | 1.10Å | |
| CBD | H13 | sing | 1.09Å | 1.10Å | |
| CBF | H14 | sing | 1.09Å | 1.10Å | |
| N6 | H15 | sing | 0.97Å | 1.00Å | |
| N6 | H16 | sing | 0.97Å | 1.00Å | |
| NAT | H18 | sing | 0.97Å | 1.00Å | |
| NBB | H20 | sing | 0.97Å | 1.00Å | |
| NBB | H21 | sing | 0.97Å | 1.00Å | |
| OBE | H22 | sing | 0.97Å | 0.95Å | |
| OBG | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | C5 | 121.6° | 120.8° |
| N6 | C6 | N1 | 120.0° | 120.7° |
| C6 | N6 | H15 | 109.5° | 120.0° |
| C6 | N6 | H16 | 109.5° | 120.1° |
| C5 | N7 | C8 | 108.3° | 109.4° |
| N7 | C5 | C6 | 134.3° | 134.7° |
| N7 | C5 | C4 | 107.1° | 107.1° |
| N7 | C8 | N9 | 108.9° | 110.0° |
| N7 | C8 | H2 | 125.5° | 125.0° |
| C5 | C6 | N1 | 118.5° | 118.5° |
| C6 | C5 | C4 | 118.6° | 118.2° |
| C6 | N1 | C2 | 121.0° | 121.2° |
| C5 | C4 | N9 | 107.6° | 106.1° |
| C5 | C4 | N3 | 119.8° | 119.0° |
| C8 | N9 | C4 | 108.2° | 107.4° |
| C8 | N9 | CAK | 126.9° | 126.3° |
| N9 | C8 | H2 | 125.6° | 125.0° |
| OBG | CBF | CBD | 110.4° | 110.5° |
| OBG | CBF | CAK | 108.5° | 110.5° |
| OBG | CBF | H14 | 112.4° | 110.5° |
| CBF | OBG | H23 | 109.5° | 114.0° |
| CBD | CBF | CAK | 103.4° | 104.1° |
| CBF | CBD | OBE | 110.1° | 110.6° |
| CBF | CBD | CAM | 101.9° | 104.1° |
| CBF | CBD | H13 | 110.6° | 110.5° |
| CBD | CBF | H14 | 110.8° | 110.6° |
| CBF | CAK | N9 | 107.7° | 110.4° |
| CBF | CAK | OAL | 105.5° | 104.8° |
| CBF | CAK | H3 | 110.7° | 110.4° |
| CAK | CBF | H14 | 110.9° | 110.5° |
| N1 | C2 | N3 | 122.0° | 122.5° |
| N1 | C2 | H1 | 119.0° | 118.8° |
| OBE | CBD | CAM | 111.1° | 110.5° |
| OBE | CBD | H13 | 112.2° | 110.5° |
| CBD | OBE | H22 | 109.5° | 114.0° |
| N9 | C4 | N3 | 132.6° | 134.9° |
| C4 | N9 | CAK | 125.0° | 126.3° |
| C4 | N3 | C2 | 120.1° | 120.6° |
| N9 | CAK | OAL | 108.9° | 110.4° |
| N9 | CAK | H3 | 111.6° | 110.4° |
| CBD | CAM | OAL | 100.6° | 104.8° |
| CBD | CAM | CAN | 111.2° | 110.4° |
| CBD | CAM | H4 | 110.6° | 110.4° |
| CAM | CBD | H13 | 110.6° | 110.5° |
| N3 | C2 | H1 | 119.0° | 118.7° |
| CAK | OAL | CAM | 105.2° | 105.3° |
| OAL | CAK | H3 | 112.2° | 110.4° |
| OAL | CAM | CAN | 111.6° | 110.4° |
| OAL | CAM | H4 | 112.3° | 110.5° |
| CAM | CAN | NAO | 114.3° | 109.5° |
| CAN | CAM | H4 | 110.3° | 110.3° |
| CAM | CAN | H5 | 108.3° | 109.5° |
| CAM | CAN | H6 | 108.3° | 109.5° |
| CAN | NAO | CBC | 112.3° | 111.0° |
| CAN | NAO | CAP | 113.4° | 111.0° |
| NAO | CAN | H5 | 108.3° | 109.5° |
| NAO | CAN | H6 | 108.3° | 109.5° |
| NBB | CAY | NAX | 120.4° | 120.8° |
| NBB | CAY | CAZ | 120.9° | 120.8° |
| CAY | NBB | H20 | 109.5° | 120.0° |
| CAY | NBB | H21 | 109.5° | 120.0° |
| NAX | CAY | CAZ | 118.7° | 118.4° |
| CAY | NAX | CAW | 120.8° | 121.2° |
| CAY | CAZ | NBA | 133.9° | 134.5° |
| CAY | CAZ | CAU | 118.6° | 118.2° |
| CBC | NAO | CAP | 110.7° | 111.0° |
| NAO | CBC | H10 | 109.5° | 109.5° |
| NAO | CBC | H11 | 109.4° | 109.4° |
| NAO | CBC | H12 | 109.4° | 109.5° |
| NAO | CAP | CAQ | 111.2° | 109.5° |
| NAO | CAP | H7 | 109.0° | 109.5° |
| NAO | CAP | H8 | 109.0° | 109.5° |
| CAZ | NBA | CAS | 107.8° | 109.4° |
| NBA | CAZ | CAU | 107.5° | 107.4° |
| NBA | CAS | CAR | 125.9° | 125.2° |
| NBA | CAS | NAT | 109.4° | 109.6° |
| NAX | CAW | NAV | 122.1° | 122.5° |
| NAX | CAW | H9 | 118.9° | 118.7° |
| CAZ | CAU | NAT | 107.2° | 106.3° |
| CAZ | CAU | NAV | 119.7° | 119.0° |
| CAR | CAS | NAT | 124.7° | 125.2° |
| CAS | CAR | CAQ | 179.0° | 179.9° |
| CAS | NAT | CAU | 108.2° | 107.3° |
| CAS | NAT | H18 | 125.9° | 126.4° |
| CAR | CAQ | CAP | 179.6° | 180.0° |
| CAQ | CAP | H7 | 109.1° | 109.5° |
| CAQ | CAP | H8 | 109.0° | 109.5° |
| CAW | NAV | CAU | 120.1° | 120.7° |
| NAV | CAW | H9 | 119.0° | 118.8° |
| NAT | CAU | NAV | 133.1° | 134.7° |
| CAU | NAT | H18 | 125.9° | 126.3° |
| H5 | CAN | H6 | 109.4° | 109.5° |
| H7 | CAP | H8 | 109.5° | 109.4° |
| H10 | CBC | H11 | 109.5° | 109.5° |
| H10 | CBC | H12 | 109.5° | 109.5° |
| H11 | CBC | H12 | 109.5° | 109.5° |
| H15 | N6 | H16 | 109.5° | 119.9° |
| H20 | NBB | H21 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | C5 | N7 | 0.0° | 0.6° |
| N6 | C6 | C5 | N1 | 179.9° | 179.3° |
| N6 | C6 | C5 | C4 | 179.8° | 180.0° |
| N6 | C6 | N1 | C2 | 179.8° | 179.8° |
| C6 | N6 | H15 | H16 | 120.0° | 180.0° |
| N7 | C5 | C6 | C4 | 179.8° | 179.4° |
| N7 | C5 | C6 | N1 | 179.9° | 179.9° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| N7 | C5 | C4 | N9 | 0.2° | 0.0° |
| N7 | C5 | C4 | N3 | 179.9° | 180.0° |
| C5 | N7 | C8 | H2 | 179.9° | 180.0° |
| C8 | N7 | C5 | C6 | 179.9° | 179.4° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| N7 | C8 | N9 | H2 | 180.0° | 180.0° |
| N7 | C8 | N9 | C4 | 0.2° | 0.0° |
| N7 | C8 | N9 | CAK | 179.9° | 179.9° |
| C5 | C6 | N1 | C2 | 0.3° | 0.5° |
| C6 | C5 | C4 | N9 | 179.9° | 179.6° |
| C6 | C5 | C4 | N3 | 0.0° | 0.5° |
| C5 | C6 | N6 | H15 | 179.9° | 0.0° |
| C5 | C6 | N6 | H16 | 60.1° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.7° |
| C6 | N1 | C2 | N3 | 0.6° | 0.0° |
| C6 | N1 | C2 | H1 | 179.4° | 179.7° |
| N1 | C6 | N6 | H15 | 0.0° | 179.3° |
| N1 | C6 | N6 | H16 | 120.0° | 0.7° |
| C5 | C4 | N9 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | N3 | 179.9° | 179.9° |
| C5 | C4 | N9 | CAK | 179.9° | 179.9° |
| C5 | C4 | N3 | C2 | 0.3° | 0.0° |
| C8 | N9 | CAK | CBF | 63.9° | 91.9° |
| C8 | N9 | C4 | CAK | 179.9° | 179.9° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C8 | N9 | CAK | OAL | 50.1° | 23.5° |
| C8 | N9 | CAK | H3 | 174.5° | 145.8° |
| OBG | CBF | CBD | CAK | 115.8° | 118.7° |
| OBG | CBF | CBD | H14 | 125.3° | 122.7° |
| OBG | CBF | CAK | H14 | 123.9° | 122.6° |
| OBG | CBF | CBD | OBE | 22.9° | 0.1° |
| OBG | CBF | CAK | N9 | 119.1° | 98.5° |
| OBG | CBF | CBD | CAM | 95.0° | 118.7° |
| OBG | CBF | CAK | OAL | 124.6° | 142.6° |
| OBG | CBF | CAK | H3 | 3.1° | 23.8° |
| OBG | CBF | CBD | H13 | 147.5° | 122.7° |
| CBD | CBF | CAK | H14 | 118.8° | 118.7° |
| CBF | CBD | OBE | CAM | 112.1° | 114.7° |
| CBF | CBD | OBE | H13 | 123.6° | 122.7° |
| CBD | CBF | CAK | N9 | 123.6° | 142.8° |
| CBF | CBD | CAM | H13 | 117.6° | 118.6° |
| CBD | CBF | CAK | OAL | 7.4° | 23.9° |
| CBF | CBD | CAM | OAL | 42.3° | 24.0° |
| CBF | CBD | CAM | CAN | 160.6° | 142.8° |
| CBD | CBF | CAK | H3 | 114.1° | 94.9° |
| CBF | CBD | CAM | H4 | 76.5° | 95.0° |
| CBF | CBD | OBE | H22 | 180.0° | 65.3° |
| CBD | CBF | OBG | H23 | 180.0° | 61.4° |
| CAK | CBF | CBD | OBE | 138.8° | 118.7° |
| CBF | CAK | N9 | C4 | 116.0° | 88.2° |
| CBF | CAK | N9 | OAL | 114.0° | 115.4° |
| CBF | CAK | N9 | H3 | 121.7° | 122.3° |
| CAK | CBF | CBD | CAM | 20.9° | 0.0° |
| CBF | CAK | OAL | H3 | 120.6° | 118.9° |
| CBF | CAK | OAL | CAM | 35.8° | 40.5° |
| CAK | CBF | CBD | H13 | 96.7° | 118.6° |
| CAK | CBF | OBG | H23 | 67.4° | 176.1° |
| N1 | C2 | N3 | C4 | 0.7° | 0.2° |
| N1 | C2 | N3 | H1 | 180.0° | 179.8° |
| OBE | CBD | CAM | H13 | 125.2° | 122.6° |
| OBE | CBD | CAM | OAL | 159.5° | 142.7° |
| OBE | CBD | CAM | CAN | 82.2° | 98.4° |
| OBE | CBD | CAM | H4 | 40.7° | 23.8° |
| OBE | CBD | CBF | H14 | 102.3° | 122.6° |
| N9 | C4 | N3 | C2 | 179.6° | 180.0° |
| C4 | N9 | CAK | OAL | 130.0° | 156.4° |
| C4 | N9 | C8 | H2 | 179.8° | 180.0° |
| C4 | N9 | CAK | H3 | 5.6° | 34.1° |
| N3 | C4 | N9 | CAK | 0.0° | 0.1° |
| C4 | N3 | C2 | H1 | 179.3° | 180.0° |
| N9 | CAK | OAL | H3 | 124.0° | 122.3° |
| N9 | CAK | OAL | CAM | 151.2° | 159.3° |
| CAK | N9 | C8 | H2 | 0.1° | 0.0° |
| N9 | CAK | CBF | H14 | 4.8° | 24.1° |
| CBD | CAM | OAL | CAK | 48.9° | 40.5° |
| CBD | CAM | OAL | CAN | 118.0° | 118.9° |
| CBD | CAM | OAL | H4 | 117.6° | 118.9° |
| CBD | CAM | CAN | H4 | 123.1° | 122.2° |
| CBD | CAM | CAN | NAO | 179.7° | 176.5° |
| CBD | CAM | CAN | H5 | 59.0° | 56.5° |
| CBD | CAM | CAN | H6 | 59.5° | 63.5° |
| CAM | CBD | CBF | H14 | 139.7° | 118.6° |
| CAM | CBD | OBE | H22 | 68.0° | 180.0° |
| CAK | OAL | CAM | CAN | 167.0° | 159.3° |
| CAK | OAL | CAM | H4 | 68.6° | 78.4° |
| OAL | CAK | CBF | H14 | 111.4° | 94.8° |
| OAL | CAM | CAN | H4 | 125.5° | 122.4° |
| OAL | CAM | CAN | NAO | 68.8° | 68.1° |
| CAM | OAL | CAK | H3 | 84.8° | 78.4° |
| OAL | CAM | CAN | H5 | 170.5° | 172.0° |
| OAL | CAM | CAN | H6 | 51.9° | 52.0° |
| OAL | CAM | CBD | H13 | 75.3° | 94.7° |
| CAM | CAN | NAO | H5 | 120.7° | 120.0° |
| CAM | CAN | NAO | H6 | 120.7° | 120.0° |
| CAM | CAN | NAO | CBC | 41.1° | 66.0° |
| CAM | CAN | NAO | CAP | 85.3° | 170.0° |
| CAM | CAN | H5 | H6 | 117.8° | 120.0° |
| CAN | CAM | CBD | H13 | 42.9° | 24.2° |
| CAN | NAO | CBC | CAP | 127.9° | 124.0° |
| CAN | NAO | CAP | CAQ | 70.4° | 170.0° |
| NAO | CAN | CAM | H4 | 56.6° | 54.3° |
| NAO | CAN | H5 | H6 | 117.8° | 120.0° |
| CAN | NAO | CAP | H7 | 49.8° | 50.0° |
| CAN | NAO | CAP | H8 | 169.3° | 70.0° |
| CAN | NAO | CBC | H10 | 180.0° | 60.0° |
| CAN | NAO | CBC | H11 | 60.0° | 180.0° |
| CAN | NAO | CBC | H12 | 60.0° | 60.0° |
| NBB | CAY | NAX | CAZ | 179.9° | 179.7° |
| NBB | CAY | CAZ | NBA | 0.1° | 0.2° |
| NBB | CAY | NAX | CAW | 179.9° | 180.0° |
| NBB | CAY | CAZ | CAU | 179.8° | 179.8° |
| CAY | NBB | H20 | H21 | 120.0° | 180.0° |
| NAX | CAY | CAZ | NBA | 179.9° | 179.9° |
| NAX | CAY | CAZ | CAU | 0.1° | 0.1° |
| CAY | NAX | CAW | NAV | 0.1° | 0.2° |
| CAY | NAX | CAW | H9 | 179.9° | 179.8° |
| NAX | CAY | NBB | H20 | 0.0° | 0.0° |
| NAX | CAY | NBB | H21 | 120.0° | 180.0° |
| CAY | CAZ | NBA | CAU | 179.9° | 180.0° |
| CAY | CAZ | NBA | CAS | 179.8° | 179.8° |
| CAZ | CAY | NAX | CAW | 0.0° | 0.3° |
| CAY | CAZ | CAU | NAT | 179.8° | 180.0° |
| CAY | CAZ | CAU | NAV | 0.3° | 0.1° |
| CAZ | CAY | NBB | H20 | 179.9° | 179.7° |
| CAZ | CAY | NBB | H21 | 60.1° | 0.3° |
| CBC | NAO | CAP | CAQ | 56.9° | 66.0° |
| CBC | NAO | CAN | H5 | 161.9° | 54.0° |
| CBC | NAO | CAN | H6 | 79.6° | 174.0° |
| CBC | NAO | CAP | H7 | 177.1° | 173.9° |
| CBC | NAO | CAP | H8 | 63.4° | 54.0° |
| NAO | CBC | H10 | H11 | 120.0° | 120.0° |
| NAO | CBC | H10 | H12 | 120.0° | 120.0° |
| NAO | CBC | H11 | H12 | 119.9° | 120.0° |
| NAO | CAP | CAQ | CAR | 40.0° | 171.6° |
| NAO | CAP | CAQ | H7 | 120.2° | 120.0° |
| NAO | CAP | CAQ | H8 | 120.3° | 120.0° |
| CAP | NAO | CAN | H5 | 35.4° | 70.0° |
| CAP | NAO | CAN | H6 | 154.0° | 50.0° |
| NAO | CAP | H7 | H8 | 119.2° | 120.0° |
| CAP | NAO | CBC | H10 | 52.1° | 63.9° |
| CAP | NAO | CBC | H11 | 172.2° | 56.1° |
| CAP | NAO | CBC | H12 | 67.9° | 176.1° |
| CAZ | NBA | CAS | CAR | 179.7° | 180.0° |
| CAZ | NBA | CAS | NAT | 0.1° | 0.3° |
| NBA | CAZ | CAU | NAT | 0.3° | 0.0° |
| NBA | CAZ | CAU | NAV | 179.7° | 179.9° |
| CAS | NBA | CAZ | CAU | 0.2° | 0.2° |
| NBA | CAS | CAR | NAT | 179.8° | 179.7° |
| NBA | CAS | CAR | CAQ | 174.5° | 119.3° |
| NBA | CAS | NAT | CAU | 0.1° | 0.3° |
| NBA | CAS | NAT | H18 | 179.9° | 179.8° |
| NAX | CAW | NAV | H9 | 180.0° | 180.0° |
| NAX | CAW | NAV | CAU | 0.3° | 0.0° |
| CAZ | CAU | NAT | CAS | 0.2° | 0.1° |
| CAZ | CAU | NAV | CAW | 0.4° | 0.1° |
| CAZ | CAU | NAT | NAV | 179.3° | 179.9° |
| CAZ | CAU | NAT | H18 | 179.7° | 179.9° |
| CAS | CAR | CAQ | CAP | 27.4° | 170.6° |
| CAR | CAS | NAT | CAU | 179.9° | 180.0° |
| CAR | CAS | NAT | H18 | 0.0° | 0.1° |
| NAT | CAS | CAR | CAQ | 5.3° | 61.1° |
| CAS | NAT | CAU | H18 | 180.0° | 180.0° |
| CAS | NAT | CAU | NAV | 179.6° | 180.0° |
| CAR | CAQ | CAP | H7 | 160.2° | 51.6° |
| CAR | CAQ | CAP | H8 | 80.3° | 68.3° |
| CAQ | CAP | H7 | H8 | 119.2° | 120.0° |
| CAW | NAV | CAU | NAT | 179.6° | 180.0° |
| CAU | NAV | CAW | H9 | 179.7° | 180.0° |
| NAV | CAU | NAT | H18 | 0.4° | 0.0° |
| H3 | CAK | CBF | H14 | 127.0° | 146.4° |
| H4 | CAM | CAN | H5 | 64.1° | 65.7° |
| H4 | CAM | CAN | H6 | 177.4° | 174.3° |
| H4 | CAM | CBD | H13 | 165.9° | 146.4° |
| H10 | CBC | H11 | H12 | 120.0° | 120.0° |
| H13 | CBD | CBF | H14 | 22.2° | 0.0° |
| H13 | CBD | OBE | H22 | 56.3° | 57.4° |
| H14 | CBF | OBG | H23 | 55.6° | 61.3° |
