KYG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAO | sing | 1.43Å | 1.44Å | |
| OAL | PAI | doub | 1.48Å | 1.51Å | |
| CAM | OAN | sing | 1.43Å | 1.43Å | |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| CAM | CAG | sing | 1.53Å | 1.53Å | |
| CAO | CAS | sing | 1.53Å | 1.54Å | |
| OAH | PAI | sing | 1.61Å | 1.62Å | |
| OAH | CAG | sing | 1.43Å | 1.44Å | |
| PAI | OAJ | sing | 1.61Å | 1.51Å | |
| PAI | OAK | sing | 1.61Å | 1.51Å | |
| CAG | CAF | sing | 1.53Å | 1.54Å | |
| CAS | OAT | sing | 1.43Å | 1.44Å | |
| CAS | CAQ | sing | 1.53Å | 1.54Å | |
| OAT | PAU | sing | 1.61Å | 1.63Å | |
| CAF | CAQ | sing | 1.53Å | 1.54Å | |
| CAF | OAE | sing | 1.43Å | 1.43Å | |
| OAV | PAU | doub | 1.48Å | 1.51Å | |
| CAQ | OAR | sing | 1.43Å | 1.44Å | |
| PAU | OAX | sing | 1.61Å | 1.62Å | |
| PAU | OAW | sing | 1.61Å | 1.51Å | |
| OAE | PAB | sing | 1.61Å | 1.62Å | |
| OAX | CAY | sing | 1.43Å | 1.43Å | |
| PAB | OAD | doub | 1.48Å | 1.51Å | |
| PAB | OAA | sing | 1.61Å | 1.51Å | |
| PAB | OAC | sing | 1.61Å | 1.51Å | |
| CAY | CAZ | sing | 1.53Å | 1.53Å | |
| OBA | CAZ | sing | 1.43Å | 1.43Å | |
| CAZ | CBB | sing | 1.53Å | 1.53Å | |
| CBB | OBC | sing | 1.43Å | 1.43Å | |
| OAW | H1 | sing | 0.97Å | 0.95Å | |
| CAY | H2 | sing | 1.09Å | 1.10Å | |
| CAY | H3 | sing | 1.09Å | 1.10Å | |
| CAZ | H4 | sing | 1.09Å | 1.10Å | |
| CBB | H5 | sing | 1.09Å | 1.10Å | |
| CBB | H6 | sing | 1.09Å | 1.10Å | |
| OBC | H7 | sing | 0.97Å | 0.95Å | |
| OBA | H8 | sing | 0.97Å | 0.95Å | |
| CAS | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| OAR | H11 | sing | 0.97Å | 0.95Å | |
| CAO | H12 | sing | 1.09Å | 1.10Å | |
| OAP | H13 | sing | 0.97Å | 0.95Å | |
| CAM | H14 | sing | 1.09Å | 1.10Å | |
| OAN | H15 | sing | 0.97Å | 0.95Å | |
| CAG | H16 | sing | 1.09Å | 1.10Å | |
| OAJ | H17 | sing | 0.97Å | 0.95Å | |
| OAK | H18 | sing | 0.97Å | 0.95Å | |
| CAF | H19 | sing | 1.09Å | 1.10Å | |
| OAA | H20 | sing | 0.97Å | 0.95Å | |
| OAC | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAO | CAM | 108.7° | 109.5° |
| OAP | CAO | CAS | 110.3° | 109.4° |
| OAP | CAO | H12 | 108.4° | 109.5° |
| CAO | OAP | H13 | 109.5° | 114.0° |
| OAL | PAI | OAH | 108.2° | 109.4° |
| OAL | PAI | OAJ | 109.0° | 109.5° |
| OAL | PAI | OAK | 109.4° | 109.5° |
| OAN | CAM | CAO | 110.7° | 109.5° |
| OAN | CAM | CAG | 109.4° | 109.5° |
| OAN | CAM | H14 | 108.7° | 109.5° |
| CAM | OAN | H15 | 109.5° | 114.0° |
| CAO | CAM | CAG | 113.1° | 109.5° |
| CAM | CAO | CAS | 114.8° | 109.5° |
| CAM | CAO | H12 | 107.2° | 109.5° |
| CAO | CAM | H14 | 107.4° | 109.5° |
| CAM | CAG | OAH | 110.1° | 109.5° |
| CAM | CAG | CAF | 114.2° | 109.5° |
| CAG | CAM | H14 | 107.4° | 109.5° |
| CAM | CAG | H16 | 107.3° | 109.5° |
| CAO | CAS | OAT | 109.9° | 109.5° |
| CAO | CAS | CAQ | 114.4° | 109.5° |
| CAO | CAS | H9 | 107.1° | 109.4° |
| CAS | CAO | H12 | 107.1° | 109.5° |
| PAI | OAH | CAG | 124.6° | 123.0° |
| OAH | PAI | OAJ | 110.9° | 109.5° |
| OAH | PAI | OAK | 109.6° | 109.5° |
| OAH | CAG | CAF | 109.4° | 109.4° |
| OAH | CAG | H16 | 108.4° | 109.5° |
| OAJ | PAI | OAK | 109.7° | 109.5° |
| PAI | OAJ | H17 | 109.5° | 114.0° |
| PAI | OAK | H18 | 109.5° | 113.9° |
| CAG | CAF | CAQ | 116.3° | 109.5° |
| CAG | CAF | OAE | 106.5° | 109.4° |
| CAF | CAG | H16 | 107.2° | 109.5° |
| CAG | CAF | H19 | 108.0° | 109.5° |
| OAT | CAS | CAQ | 109.8° | 109.5° |
| CAS | OAT | PAU | 126.6° | 123.0° |
| OAT | CAS | H9 | 108.3° | 109.5° |
| CAS | CAQ | CAF | 117.6° | 109.5° |
| CAS | CAQ | OAR | 107.2° | 109.5° |
| CAQ | CAS | H9 | 107.1° | 109.5° |
| CAS | CAQ | H10 | 107.8° | 109.5° |
| OAT | PAU | OAV | 108.3° | 109.5° |
| OAT | PAU | OAX | 112.2° | 109.5° |
| OAT | PAU | OAW | 109.9° | 109.5° |
| CAQ | CAF | OAE | 108.6° | 109.5° |
| CAF | CAQ | OAR | 107.3° | 109.5° |
| CAF | CAQ | H10 | 107.7° | 109.5° |
| CAQ | CAF | H19 | 108.0° | 109.5° |
| CAF | OAE | PAB | 125.1° | 123.0° |
| OAE | CAF | H19 | 109.3° | 109.4° |
| OAV | PAU | OAX | 107.8° | 109.4° |
| OAV | PAU | OAW | 108.2° | 109.4° |
| OAR | CAQ | H10 | 109.0° | 109.5° |
| CAQ | OAR | H11 | 109.5° | 113.9° |
| OAX | PAU | OAW | 110.3° | 109.5° |
| PAU | OAX | CAY | 123.2° | 123.0° |
| PAU | OAW | H1 | 109.5° | 114.0° |
| OAE | PAB | OAD | 108.8° | 109.5° |
| OAE | PAB | OAA | 110.2° | 109.5° |
| OAE | PAB | OAC | 108.2° | 109.5° |
| OAX | CAY | CAZ | 111.6° | 109.4° |
| OAX | CAY | H2 | 108.9° | 109.5° |
| OAX | CAY | H3 | 108.9° | 109.5° |
| OAD | PAB | OAA | 109.4° | 109.5° |
| OAD | PAB | OAC | 109.5° | 109.5° |
| OAA | PAB | OAC | 110.7° | 109.5° |
| PAB | OAA | H20 | 109.5° | 114.0° |
| PAB | OAC | H21 | 109.5° | 114.0° |
| CAY | CAZ | OBA | 110.0° | 109.4° |
| CAY | CAZ | CBB | 112.0° | 109.5° |
| CAZ | CAY | H2 | 108.9° | 109.4° |
| CAZ | CAY | H3 | 108.9° | 109.4° |
| CAY | CAZ | H4 | 108.4° | 109.5° |
| OBA | CAZ | CBB | 108.2° | 109.5° |
| OBA | CAZ | H4 | 109.8° | 109.5° |
| CAZ | OBA | H8 | 109.5° | 114.0° |
| CAZ | CBB | OBC | 112.3° | 109.4° |
| CBB | CAZ | H4 | 108.4° | 109.5° |
| CAZ | CBB | H5 | 108.8° | 109.5° |
| CAZ | CBB | H6 | 108.8° | 109.5° |
| OBC | CBB | H5 | 108.8° | 109.5° |
| OBC | CBB | H6 | 108.8° | 109.4° |
| CBB | OBC | H7 | 109.5° | 114.0° |
| H2 | CAY | H3 | 109.5° | 109.5° |
| H5 | CBB | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAO | CAM | OAN | 54.8° | 60.0° |
| OAP | CAO | CAM | CAS | 124.1° | 120.0° |
| OAP | CAO | CAM | H12 | 117.0° | 120.0° |
| OAP | CAO | CAM | CAG | 178.0° | 60.0° |
| OAP | CAO | CAS | H12 | 117.8° | 120.0° |
| OAP | CAO | CAS | OAT | 15.5° | 60.0° |
| OAP | CAO | CAS | CAQ | 139.5° | 60.0° |
| OAP | CAO | CAS | H9 | 101.9° | 180.0° |
| OAP | CAO | CAM | H14 | 63.7° | 180.0° |
| OAL | PAI | OAH | OAJ | 119.6° | 120.0° |
| OAL | PAI | OAH | OAK | 119.2° | 120.0° |
| OAL | PAI | OAH | CAG | 131.4° | 55.0° |
| OAL | PAI | OAJ | OAK | 119.8° | 120.0° |
| OAL | PAI | OAJ | H17 | 0.0° | 60.0° |
| OAL | PAI | OAK | H18 | 0.0° | 179.9° |
| OAN | CAM | CAO | CAG | 123.2° | 120.0° |
| OAN | CAM | CAO | H14 | 118.5° | 120.0° |
| OAN | CAM | CAG | H14 | 117.8° | 120.0° |
| OAN | CAM | CAO | CAS | 69.3° | 180.0° |
| OAN | CAM | CAG | OAH | 157.4° | 60.0° |
| OAN | CAM | CAG | CAF | 78.9° | 180.0° |
| OAN | CAM | CAO | H12 | 171.8° | 60.0° |
| OAN | CAM | CAG | H16 | 39.7° | 60.0° |
| CAO | CAM | CAG | H14 | 118.3° | 120.0° |
| CAM | CAO | CAS | H12 | 119.0° | 120.1° |
| CAO | CAM | CAG | OAH | 78.7° | 180.0° |
| CAO | CAM | CAG | CAF | 44.9° | 60.0° |
| CAM | CAO | CAS | OAT | 107.8° | 180.0° |
| CAM | CAO | CAS | CAQ | 16.3° | 60.0° |
| CAM | CAO | CAS | H9 | 134.8° | 60.0° |
| CAM | CAO | OAP | H13 | 180.0° | 60.1° |
| CAO | CAM | OAN | H15 | 180.0° | 60.0° |
| CAO | CAM | CAG | H16 | 163.6° | 60.0° |
| CAG | CAM | CAO | CAS | 53.9° | 60.0° |
| CAM | CAG | OAH | PAI | 153.4° | 120.0° |
| CAM | CAG | OAH | CAF | 126.4° | 120.0° |
| CAM | CAG | OAH | H16 | 117.0° | 120.0° |
| CAM | CAG | CAF | H16 | 118.7° | 120.0° |
| CAM | CAG | CAF | CAQ | 0.4° | 60.0° |
| CAM | CAG | CAF | OAE | 120.7° | 180.0° |
| CAG | CAM | CAO | H12 | 65.0° | 180.0° |
| CAG | CAM | OAN | H15 | 54.7° | 180.0° |
| CAM | CAG | CAF | H19 | 122.0° | 60.0° |
| CAO | CAS | OAT | CAQ | 126.7° | 120.1° |
| CAO | CAS | OAT | H9 | 116.7° | 120.0° |
| CAO | CAS | CAQ | H9 | 118.5° | 120.0° |
| CAO | CAS | OAT | PAU | 176.2° | 119.9° |
| CAO | CAS | CAQ | CAF | 28.6° | 59.9° |
| CAO | CAS | CAQ | OAR | 149.5° | 180.0° |
| CAO | CAS | CAQ | H10 | 93.2° | 60.0° |
| CAS | CAO | OAP | H13 | 53.3° | 179.9° |
| CAS | CAO | CAM | H14 | 172.3° | 60.0° |
| OAH | PAI | OAJ | OAK | 121.2° | 120.0° |
| PAI | OAH | CAG | CAF | 80.2° | 120.0° |
| PAI | OAH | CAG | H16 | 36.4° | 0.1° |
| OAH | PAI | OAJ | H17 | 119.0° | 180.0° |
| OAH | PAI | OAK | H18 | 118.5° | 60.0° |
| CAG | OAH | PAI | OAJ | 11.9° | 175.0° |
| CAG | OAH | PAI | OAK | 109.3° | 64.9° |
| OAH | CAG | CAF | H16 | 117.3° | 120.0° |
| OAH | CAG | CAF | CAQ | 123.6° | 180.0° |
| OAH | CAG | CAF | OAE | 115.3° | 60.0° |
| OAH | CAG | CAM | H14 | 39.7° | 60.0° |
| OAH | CAG | CAF | H19 | 2.0° | 60.0° |
| OAJ | PAI | OAK | H18 | 119.6° | 60.1° |
| OAK | PAI | OAJ | H17 | 119.8° | 60.0° |
| CAG | CAF | CAQ | CAS | 37.3° | 60.0° |
| CAG | CAF | CAQ | OAE | 120.0° | 120.0° |
| CAG | CAF | CAQ | H19 | 121.5° | 120.1° |
| CAG | CAF | OAE | H19 | 116.4° | 120.0° |
| CAG | CAF | CAQ | OAR | 158.2° | 180.0° |
| CAG | CAF | OAE | PAB | 160.3° | 120.0° |
| CAG | CAF | CAQ | H10 | 84.5° | 60.0° |
| CAF | CAG | CAM | H14 | 163.3° | 60.0° |
| OAT | CAS | CAQ | H9 | 117.4° | 120.0° |
| OAT | CAS | CAQ | CAF | 152.7° | 180.0° |
| CAS | OAT | PAU | OAV | 174.1° | 55.0° |
| OAT | CAS | CAQ | OAR | 86.4° | 60.0° |
| CAS | OAT | PAU | OAX | 55.2° | 175.0° |
| CAS | OAT | PAU | OAW | 67.9° | 64.9° |
| OAT | CAS | CAQ | H10 | 30.9° | 60.0° |
| OAT | CAS | CAO | H12 | 133.3° | 59.9° |
| CAQ | CAS | OAT | PAU | 57.2° | 120.0° |
| CAS | CAQ | CAF | OAR | 120.8° | 120.0° |
| CAS | CAQ | CAF | H10 | 121.9° | 120.0° |
| CAS | CAQ | CAF | OAE | 157.4° | 179.9° |
| CAS | CAQ | OAR | H10 | 116.4° | 120.0° |
| CAS | CAQ | OAR | H11 | 180.0° | 60.0° |
| CAQ | CAS | CAO | H12 | 102.7° | 180.0° |
| CAS | CAQ | CAF | H19 | 84.2° | 60.1° |
| OAT | PAU | OAV | OAX | 121.6° | 120.0° |
| OAT | PAU | OAV | OAW | 119.1° | 120.0° |
| OAT | PAU | OAX | OAW | 122.9° | 120.1° |
| OAT | PAU | OAX | CAY | 143.6° | 175.0° |
| OAT | PAU | OAW | H1 | 118.1° | 60.0° |
| PAU | OAT | CAS | H9 | 59.5° | 0.0° |
| CAQ | CAF | OAE | H19 | 117.6° | 120.0° |
| CAF | CAQ | OAR | H10 | 116.4° | 120.0° |
| CAQ | CAF | OAE | PAB | 73.7° | 120.0° |
| CAF | CAQ | CAS | H9 | 89.9° | 60.0° |
| CAF | CAQ | OAR | H11 | 52.8° | 180.0° |
| CAQ | CAF | CAG | H16 | 119.1° | 60.0° |
| OAE | CAF | CAQ | OAR | 81.8° | 60.0° |
| CAF | OAE | PAB | OAD | 141.5° | 55.0° |
| CAF | OAE | PAB | OAA | 21.5° | 175.0° |
| CAF | OAE | PAB | OAC | 99.6° | 65.0° |
| OAE | CAF | CAQ | H10 | 35.5° | 60.0° |
| OAE | CAF | CAG | H16 | 2.0° | 60.0° |
| OAV | PAU | OAX | OAW | 118.0° | 120.0° |
| OAV | PAU | OAX | CAY | 97.3° | 55.0° |
| OAV | PAU | OAW | H1 | 0.0° | 180.0° |
| OAR | CAQ | CAS | H9 | 31.0° | 60.0° |
| OAR | CAQ | CAF | H19 | 36.6° | 59.9° |
| PAU | OAX | CAY | CAZ | 94.0° | 180.0° |
| OAX | PAU | OAW | H1 | 117.7° | 60.1° |
| PAU | OAX | CAY | H2 | 26.3° | 60.0° |
| PAU | OAX | CAY | H3 | 145.7° | 60.0° |
| OAW | PAU | OAX | CAY | 20.7° | 65.0° |
| OAE | PAB | OAD | OAA | 120.5° | 120.0° |
| OAE | PAB | OAD | OAC | 118.1° | 120.0° |
| OAE | PAB | OAA | OAC | 119.6° | 120.0° |
| PAB | OAE | CAF | H19 | 43.9° | 0.0° |
| OAE | PAB | OAA | H20 | 119.6° | 180.0° |
| OAE | PAB | OAC | H21 | 118.5° | 60.0° |
| OAX | CAY | CAZ | H2 | 120.3° | 120.0° |
| OAX | CAY | CAZ | H3 | 120.3° | 120.0° |
| OAX | CAY | CAZ | OBA | 55.7° | 65.0° |
| OAX | CAY | CAZ | CBB | 176.1° | 175.0° |
| OAX | CAY | H2 | H3 | 119.0° | 120.1° |
| OAX | CAY | CAZ | H4 | 64.3° | 55.0° |
| OAD | PAB | OAA | OAC | 120.7° | 120.0° |
| OAD | PAB | OAA | H20 | 0.0° | 60.0° |
| OAD | PAB | OAC | H21 | 0.0° | 180.0° |
| OAA | PAB | OAC | H21 | 120.7° | 60.0° |
| OAC | PAB | OAA | H20 | 120.7° | 60.0° |
| CAY | CAZ | OBA | CBB | 122.6° | 120.0° |
| CAY | CAZ | OBA | H4 | 119.2° | 120.0° |
| CAY | CAZ | CBB | H4 | 119.6° | 120.0° |
| CAY | CAZ | CBB | OBC | 44.3° | 175.0° |
| CAZ | CAY | H2 | H3 | 119.0° | 119.9° |
| CAY | CAZ | CBB | H5 | 164.7° | 65.0° |
| CAY | CAZ | CBB | H6 | 76.1° | 55.1° |
| CAY | CAZ | OBA | H8 | 33.3° | 60.0° |
| OBA | CAZ | CBB | H4 | 119.0° | 120.0° |
| OBA | CAZ | CBB | OBC | 165.7° | 65.0° |
| OBA | CAZ | CAY | H2 | 64.6° | 55.0° |
| OBA | CAZ | CAY | H3 | 176.0° | 175.0° |
| OBA | CAZ | CBB | H5 | 73.9° | 55.0° |
| OBA | CAZ | CBB | H6 | 45.3° | 175.0° |
| CAZ | CBB | OBC | H5 | 120.4° | 120.0° |
| CAZ | CBB | OBC | H6 | 120.4° | 120.0° |
| CBB | CAZ | CAY | H2 | 55.8° | 65.0° |
| CBB | CAZ | CAY | H3 | 63.6° | 55.0° |
| CAZ | CBB | H5 | H6 | 118.7° | 120.0° |
| CAZ | CBB | OBC | H7 | 180.0° | 180.0° |
| CBB | CAZ | OBA | H8 | 155.9° | 59.9° |
| OBC | CBB | CAZ | H4 | 75.3° | 55.0° |
| OBC | CBB | H5 | H6 | 118.7° | 120.0° |
| H2 | CAY | CAZ | H4 | 175.4° | 175.0° |
| H3 | CAY | CAZ | H4 | 56.0° | 65.0° |
| H4 | CAZ | CBB | H5 | 45.1° | 175.0° |
| H4 | CAZ | CBB | H6 | 164.3° | 65.0° |
| H4 | CAZ | OBA | H8 | 86.0° | 180.0° |
| H5 | CBB | OBC | H7 | 59.6° | 60.0° |
| H6 | CBB | OBC | H7 | 59.6° | 60.0° |
| H9 | CAS | CAQ | H10 | 148.3° | NaN° |
| H9 | CAS | CAO | H12 | 15.9° | 60.0° |
| H10 | CAQ | OAR | H11 | 63.6° | 60.0° |
| H10 | CAQ | CAF | H19 | 153.9° | 179.9° |
| H12 | CAO | OAP | H13 | 63.7° | 60.0° |
| H12 | CAO | CAM | H14 | 53.4° | 60.0° |
| H14 | CAM | OAN | H15 | 62.3° | 60.0° |
| H14 | CAM | CAG | H16 | 78.1° | 180.0° |
| H16 | CAG | CAF | H19 | 119.4° | 180.0° |
