0OH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAG | PBC | doub | 1.48Å | 1.51Å | |
| OAB | PBC | sing | 1.61Å | 1.52Å | |
| OAF | PBC | sing | 1.61Å | 1.51Å | |
| PBC | OAS | sing | 1.61Å | 1.57Å | |
| OAC | PBD | doub | 1.48Å | 1.52Å | |
| OAH | PBD | sing | 1.61Å | 1.51Å | |
| OAT | PBD | sing | 1.61Å | 1.57Å | |
| OAT | PBE | sing | 1.61Å | 1.58Å | |
| PBD | OAR | sing | 1.61Å | 1.56Å | |
| OAS | PBE | sing | 1.61Å | 1.57Å | |
| PBE | OAD | doub | 1.48Å | 1.51Å | |
| PBE | OAI | sing | 1.61Å | 1.50Å | |
| OAR | CAL | sing | 1.43Å | 1.39Å | |
| CAL | CBB | sing | 1.53Å | 1.50Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| N7 | C5 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.44Å | |
| CBB | CAZ | sing | 1.54Å | 1.52Å | |
| CBB | CAX | sing | 1.54Å | 1.51Å | |
| CBB | CAN | sing | 1.53Å | 1.51Å | |
| C5 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| CAZ | CAN | sing | 1.53Å | 1.52Å | |
| CAZ | CAY | sing | 1.54Å | 1.51Å | |
| C6 | N1 | sing | 1.33Å | 1.35Å | Aromatic |
| CAX | OAE | sing | 1.43Å | 1.36Å | |
| CAX | CAM | sing | 1.55Å | 1.48Å | |
| N9 | C4 | sing | 1.37Å | 1.36Å | Aromatic |
| N9 | CAY | sing | 1.46Å | 1.46Å | |
| C4 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| CAY | CAM | sing | 1.54Å | 1.48Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| OAF | H1 | sing | 0.97Å | 0.95Å | |
| OAB | H2 | sing | 0.97Å | 0.95Å | |
| OAI | H3 | sing | 0.97Å | 0.95Å | |
| OAH | H4 | sing | 0.97Å | 0.95Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAL | H6 | sing | 1.09Å | 1.10Å | |
| CAZ | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAX | H10 | sing | 1.09Å | 1.10Å | |
| OAE | H11 | sing | 0.97Å | 0.95Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.08Å | 1.08Å | |
| C2 | H16 | sing | 1.08Å | 1.08Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAG | PBC | OAB | 106.4° | 109.5° |
| OAG | PBC | OAF | 106.5° | 109.5° |
| OAG | PBC | OAS | 115.8° | 109.5° |
| OAB | PBC | OAF | 110.2° | 109.4° |
| OAB | PBC | OAS | 107.0° | 109.5° |
| PBC | OAB | H2 | 109.5° | 114.0° |
| OAF | PBC | OAS | 110.7° | 109.4° |
| PBC | OAF | H1 | 109.5° | 114.0° |
| PBC | OAS | PBE | 125.5° | 134.0° |
| OAC | PBD | OAH | 107.7° | 109.4° |
| OAC | PBD | OAT | 110.3° | 109.5° |
| OAC | PBD | OAR | 113.4° | 109.4° |
| OAH | PBD | OAT | 109.9° | 109.5° |
| OAH | PBD | OAR | 109.2° | 109.5° |
| PBD | OAH | H4 | 109.5° | 114.0° |
| PBD | OAT | PBE | 127.5° | 134.0° |
| OAT | PBD | OAR | 106.3° | 109.5° |
| OAT | PBE | OAS | 106.5° | 109.5° |
| OAT | PBE | OAD | 109.0° | 109.5° |
| OAT | PBE | OAI | 113.7° | 109.5° |
| PBD | OAR | CAL | 124.6° | 123.0° |
| OAS | PBE | OAD | 112.5° | 109.5° |
| OAS | PBE | OAI | 105.1° | 109.4° |
| OAD | PBE | OAI | 110.0° | 109.5° |
| PBE | OAI | H3 | 109.5° | 114.0° |
| OAR | CAL | CBB | 111.5° | 109.5° |
| OAR | CAL | H5 | 109.0° | 109.4° |
| OAR | CAL | H6 | 108.9° | 109.5° |
| CAL | CBB | CAZ | 113.4° | 121.3° |
| CAL | CBB | CAX | 118.3° | 117.4° |
| CAL | CBB | CAN | 118.7° | 119.3° |
| CBB | CAL | H5 | 109.0° | 109.4° |
| CBB | CAL | H6 | 109.0° | 109.5° |
| C8 | N7 | C5 | 108.9° | 109.5° |
| N7 | C8 | N9 | 109.6° | 109.9° |
| N7 | C8 | H15 | 125.2° | 125.1° |
| N7 | C5 | C6 | 137.3° | 134.7° |
| N7 | C5 | C4 | 106.0° | 107.1° |
| C8 | N9 | C4 | 107.3° | 107.5° |
| C8 | N9 | CAY | 127.8° | 126.3° |
| N9 | C8 | H15 | 125.2° | 125.0° |
| N6 | C6 | C5 | 122.3° | 120.8° |
| N6 | C6 | N1 | 118.7° | 120.8° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| C6 | N6 | H18 | 109.5° | 120.0° |
| CAZ | CBB | CAX | 107.9° | 106.7° |
| CAZ | CBB | CAN | 60.1° | 59.8° |
| CBB | CAZ | CAN | 59.7° | 59.8° |
| CBB | CAZ | CAY | 105.7° | 106.6° |
| CBB | CAZ | H7 | 116.4° | 121.4° |
| CAX | CBB | CAN | 121.1° | 118.7° |
| CBB | CAX | OAE | 111.1° | 110.5° |
| CBB | CAX | CAM | 107.1° | 104.2° |
| CBB | CAX | H10 | 107.5° | 110.5° |
| CBB | CAN | CAZ | 60.2° | 60.4° |
| CBB | CAN | H8 | 120.0° | 117.4° |
| CBB | CAN | H9 | 120.0° | 117.5° |
| C6 | C5 | C4 | 116.7° | 118.2° |
| C5 | C6 | N1 | 119.0° | 118.4° |
| C5 | C4 | N9 | 108.2° | 106.0° |
| C5 | C4 | N3 | 121.2° | 119.1° |
| CAN | CAZ | CAY | 125.6° | 118.2° |
| CAN | CAZ | H7 | 116.4° | 119.3° |
| CAZ | CAN | H8 | 120.0° | 117.5° |
| CAZ | CAN | H9 | 120.0° | 117.5° |
| CAZ | CAY | N9 | 109.7° | 110.5° |
| CAZ | CAY | CAM | 108.2° | 104.5° |
| CAY | CAZ | H7 | 116.5° | 117.8° |
| CAZ | CAY | H14 | 108.2° | 110.5° |
| C6 | N1 | C2 | 122.7° | 121.2° |
| OAE | CAX | CAM | 113.5° | 110.5° |
| OAE | CAX | H10 | 109.5° | 110.5° |
| CAX | OAE | H11 | 109.5° | 114.0° |
| CAX | CAM | CAY | 108.1° | 103.0° |
| CAM | CAX | H10 | 107.9° | 110.6° |
| CAX | CAM | H12 | 109.8° | 110.8° |
| CAX | CAM | H13 | 109.8° | 110.7° |
| C4 | N9 | CAY | 124.9° | 126.3° |
| N9 | C4 | N3 | 130.6° | 134.9° |
| N9 | CAY | CAM | 113.2° | 109.7° |
| N9 | CAY | H14 | 108.8° | 110.5° |
| C4 | N3 | C2 | 120.3° | 120.6° |
| CAY | CAM | H12 | 109.8° | 111.0° |
| CAY | CAM | H13 | 109.8° | 110.4° |
| CAM | CAY | H14 | 108.6° | 111.1° |
| N1 | C2 | N3 | 120.2° | 122.5° |
| N1 | C2 | H16 | 119.9° | 118.8° |
| N3 | C2 | H16 | 119.9° | 118.8° |
| H5 | CAL | H6 | 109.5° | 109.4° |
| H8 | CAN | H9 | 109.5° | 115.5° |
| H12 | CAM | H13 | 109.5° | 110.7° |
| H17 | N6 | H18 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAG | PBC | OAB | OAF | 115.1° | 120.0° |
| OAG | PBC | OAB | OAS | 124.4° | 120.0° |
| OAG | PBC | OAF | OAS | 126.7° | 120.0° |
| OAG | PBC | OAS | PBE | 47.1° | 45.0° |
| OAG | PBC | OAF | H1 | 0.0° | 60.0° |
| OAG | PBC | OAB | H2 | 0.0° | 179.9° |
| OAB | PBC | OAF | OAS | 118.3° | 120.0° |
| OAB | PBC | OAS | PBE | 165.6° | 75.0° |
| OAB | PBC | OAF | H1 | 115.0° | 60.0° |
| OAF | PBC | OAS | PBE | 74.2° | 165.0° |
| OAF | PBC | OAB | H2 | 115.1° | 60.1° |
| PBC | OAS | PBE | OAT | 17.7° | 160.0° |
| PBC | OAS | PBE | OAD | 101.7° | 40.0° |
| PBC | OAS | PBE | OAI | 138.5° | 80.0° |
| OAS | PBC | OAF | H1 | 126.7° | 180.0° |
| OAS | PBC | OAB | H2 | 124.4° | 59.9° |
| OAC | PBD | OAH | OAT | 120.2° | 120.0° |
| OAC | PBD | OAH | OAR | 123.5° | 119.9° |
| OAC | PBD | OAT | OAR | 123.3° | 120.0° |
| OAC | PBD | OAT | PBE | 109.4° | 40.0° |
| OAC | PBD | OAR | CAL | 9.8° | 55.0° |
| OAC | PBD | OAH | H4 | 0.0° | 180.0° |
| OAH | PBD | OAT | OAR | 118.0° | 120.0° |
| OAH | PBD | OAT | PBE | 131.9° | 80.0° |
| OAH | PBD | OAR | CAL | 130.0° | 64.9° |
| PBD | OAT | PBE | OAS | 154.2° | 165.0° |
| PBD | OAT | PBE | OAD | 84.2° | 45.0° |
| PBD | OAT | PBE | OAI | 39.0° | 75.0° |
| OAT | PBD | OAR | CAL | 111.6° | 175.0° |
| OAT | PBD | OAH | H4 | 120.2° | 60.0° |
| PBE | OAT | PBD | OAR | 13.9° | 160.0° |
| OAT | PBE | OAS | OAD | 119.4° | 120.1° |
| OAT | PBE | OAS | OAI | 120.9° | 120.0° |
| OAT | PBE | OAD | OAI | 125.3° | 120.0° |
| OAT | PBE | OAI | H3 | 122.5° | 60.0° |
| PBD | OAR | CAL | CBB | 172.5° | 180.0° |
| OAR | PBD | OAH | H4 | 123.5° | 60.1° |
| PBD | OAR | CAL | H5 | 52.1° | 60.1° |
| PBD | OAR | CAL | H6 | 67.2° | 59.9° |
| OAS | PBE | OAD | OAI | 116.8° | 120.0° |
| OAS | PBE | OAI | H3 | 121.3° | 60.0° |
| OAD | PBE | OAI | H3 | 0.0° | 180.0° |
| OAR | CAL | CBB | H5 | 120.3° | 120.0° |
| OAR | CAL | CBB | H6 | 120.3° | 120.1° |
| OAR | CAL | CBB | CAZ | 104.7° | 180.0° |
| OAR | CAL | CBB | CAX | 23.3° | 46.2° |
| OAR | CAL | CBB | CAN | 172.2° | 109.4° |
| OAR | CAL | H5 | H6 | 119.0° | 120.0° |
| CAL | CBB | CAZ | CAX | 133.1° | 138.0° |
| CAL | CBB | CAZ | CAN | 110.8° | 108.0° |
| CAL | CBB | CAX | CAN | 164.1° | 155.8° |
| CAL | CBB | CAZ | CAY | 126.8° | 138.6° |
| CAL | CBB | CAX | OAE | 100.6° | 77.7° |
| CAL | CBB | CAX | CAM | 135.0° | 163.6° |
| CBB | CAL | H5 | H6 | 119.1° | 120.0° |
| CAL | CBB | CAZ | H7 | 4.2° | 0.0° |
| CAL | CBB | CAN | H8 | 148.5° | 141.1° |
| CAL | CBB | CAN | H9 | 7.5° | 3.7° |
| CAL | CBB | CAX | H10 | 19.2° | 44.8° |
| N7 | C8 | N9 | H15 | 180.0° | 179.9° |
| C8 | N7 | C5 | C6 | 179.2° | 180.0° |
| C8 | N7 | C5 | C4 | 0.1° | 0.0° |
| N7 | C8 | N9 | C4 | 0.0° | 0.0° |
| N7 | C8 | N9 | CAY | 179.5° | 179.8° |
| C5 | N7 | C8 | N9 | 0.1° | 0.0° |
| N7 | C5 | C6 | N6 | 0.5° | 0.1° |
| N7 | C5 | C6 | C4 | 179.0° | 179.9° |
| N7 | C5 | C6 | N1 | 179.3° | 179.9° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| N7 | C5 | C4 | N3 | 179.4° | 179.9° |
| C5 | N7 | C8 | H15 | 180.0° | 180.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.0° |
| C8 | N9 | CAY | CAZ | 43.5° | 53.7° |
| C8 | N9 | C4 | CAY | 179.5° | 179.7° |
| C8 | N9 | C4 | N3 | 179.4° | 179.8° |
| C8 | N9 | CAY | CAM | 77.4° | 61.0° |
| C8 | N9 | CAY | H14 | 161.7° | 176.3° |
| N6 | C6 | C5 | N1 | 179.9° | 179.9° |
| N6 | C6 | C5 | C4 | 179.6° | 180.0° |
| N6 | C6 | N1 | C2 | 179.4° | 179.7° |
| C6 | N6 | H17 | H18 | 120.0° | 180.0° |
| CAZ | CBB | CAX | CAN | 65.4° | 64.3° |
| CBB | CAZ | CAN | CAY | 88.1° | 93.6° |
| CBB | CAZ | CAN | H7 | 106.5° | 111.3° |
| CBB | CAZ | CAY | H7 | 131.0° | 140.4° |
| CAZ | CBB | CAX | OAE | 128.9° | 142.3° |
| CAZ | CBB | CAX | CAM | 4.5° | 23.6° |
| CBB | CAZ | CAY | N9 | 109.0° | 95.1° |
| CBB | CAZ | CAY | CAM | 14.9° | 22.8° |
| CAZ | CBB | CAL | H5 | 135.0° | 60.0° |
| CAZ | CBB | CAL | H6 | 15.6° | 60.0° |
| CAZ | CBB | CAN | H8 | 109.5° | 107.6° |
| CAZ | CBB | CAN | H9 | 109.5° | 107.6° |
| CAZ | CBB | CAX | H10 | 111.3° | 95.1° |
| CBB | CAZ | CAY | H14 | 132.4° | 142.3° |
| CAX | CBB | CAZ | CAY | 6.3° | 0.6° |
| CBB | CAX | OAE | CAM | 120.7° | 114.8° |
| CBB | CAX | OAE | H10 | 118.6° | 122.6° |
| CBB | CAX | CAM | H10 | 115.5° | 118.7° |
| CBB | CAX | CAM | CAY | 13.9° | 37.5° |
| CAX | CBB | CAL | H5 | 97.1° | 166.2° |
| CAX | CBB | CAL | H6 | 143.6° | 73.9° |
| CAX | CBB | CAZ | H7 | 137.4° | 138.0° |
| CAX | CBB | CAN | H8 | 15.6° | 14.2° |
| CAX | CBB | CAN | H9 | 156.6° | 159.0° |
| CBB | CAX | OAE | H11 | 180.0° | 179.9° |
| CBB | CAX | CAM | H12 | 133.6° | 156.3° |
| CBB | CAX | CAM | H13 | 105.9° | 80.5° |
| CAN | CBB | CAX | OAE | 63.5° | 78.1° |
| CAN | CBB | CAX | CAM | 60.9° | 40.6° |
| CAN | CBB | CAL | H5 | 67.4° | 10.5° |
| CAN | CBB | CAL | H6 | 51.9° | 130.5° |
| CBB | CAN | H8 | H9 | 144.7° | 145.5° |
| CAN | CBB | CAX | H10 | 176.7° | 159.4° |
| C6 | C5 | C4 | N9 | 179.4° | 179.9° |
| C6 | C5 | C4 | N3 | 0.1° | 0.2° |
| C5 | C6 | N1 | C2 | 0.5° | 0.3° |
| C5 | C6 | N6 | H17 | 179.9° | 0.0° |
| C5 | C6 | N6 | H18 | 60.1° | 180.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.1° |
| C5 | C4 | N9 | N3 | 179.4° | 179.8° |
| C5 | C4 | N9 | CAY | 179.4° | 179.7° |
| C5 | C4 | N3 | C2 | 0.0° | 0.2° |
| CAN | CAZ | CAY | H7 | 165.4° | 155.5° |
| CAN | CAZ | CAY | N9 | 172.6° | 159.2° |
| CAN | CAZ | CAY | CAM | 48.7° | 41.4° |
| CAZ | CAN | H8 | H9 | 144.6° | 145.5° |
| CAN | CAZ | CAY | H14 | 68.8° | 78.1° |
| CAZ | CAY | CAM | CAX | 18.1° | 37.2° |
| CAZ | CAY | N9 | C4 | 135.9° | 126.7° |
| CAZ | CAY | N9 | CAM | 121.0° | 114.6° |
| CAZ | CAY | N9 | H14 | 118.2° | 122.6° |
| CAZ | CAY | CAM | H14 | 117.3° | 119.1° |
| CAY | CAZ | CAN | H8 | 21.5° | 14.0° |
| CAY | CAZ | CAN | H9 | 162.4° | 158.8° |
| CAZ | CAY | CAM | H12 | 137.9° | 155.8° |
| CAZ | CAY | CAM | H13 | 101.7° | 81.1° |
| C6 | N1 | C2 | N3 | 0.5° | 0.3° |
| C6 | N1 | C2 | H16 | 179.5° | 179.7° |
| N1 | C6 | N6 | H17 | 0.0° | 179.9° |
| N1 | C6 | N6 | H18 | 120.0° | 0.1° |
| OAE | CAX | CAM | H10 | 121.5° | 122.6° |
| OAE | CAX | CAM | CAY | 136.8° | 156.2° |
| OAE | CAX | CAM | H12 | 103.4° | 85.0° |
| OAE | CAX | CAM | H13 | 17.0° | 38.2° |
| CAX | CAM | CAY | N9 | 103.7° | 81.3° |
| CAX | CAM | CAY | H12 | 119.8° | 118.6° |
| CAX | CAM | CAY | H13 | 119.8° | 118.2° |
| CAM | CAX | OAE | H11 | 59.3° | 65.1° |
| CAX | CAM | H12 | H13 | 120.7° | 123.2° |
| CAX | CAM | CAY | H14 | 135.4° | 156.3° |
| C4 | N9 | CAY | CAM | 103.2° | 118.7° |
| N9 | C4 | N3 | C2 | 179.3° | 180.0° |
| C4 | N9 | CAY | H14 | 17.7° | 4.1° |
| C4 | N9 | C8 | H15 | 180.0° | 180.0° |
| CAY | N9 | C4 | N3 | 1.2° | 0.1° |
| N9 | CAY | CAM | H14 | 120.9° | 122.5° |
| N9 | CAY | CAZ | H7 | 22.0° | 45.3° |
| N9 | CAY | CAM | H12 | 16.1° | 37.4° |
| N9 | CAY | CAM | H13 | 136.5° | 160.5° |
| CAY | N9 | C8 | H15 | 0.6° | 0.3° |
| C4 | N3 | C2 | N1 | 0.3° | 0.0° |
| C4 | N3 | C2 | H16 | 179.7° | 179.9° |
| CAM | CAY | CAZ | H7 | 145.9° | 163.2° |
| CAY | CAM | CAX | H10 | 101.7° | 81.2° |
| CAY | CAM | H12 | H13 | 120.6° | 123.0° |
| N1 | C2 | N3 | H16 | 180.0° | 180.0° |
| H7 | CAZ | CAN | H8 | 143.9° | 141.1° |
| H7 | CAZ | CAN | H9 | 3.0° | 3.7° |
| H7 | CAZ | CAY | H14 | 96.6° | 77.3° |
| H10 | CAX | OAE | H11 | 61.4° | 57.5° |
| H10 | CAX | CAM | H12 | 18.1° | 37.6° |
| H10 | CAX | CAM | H13 | 138.6° | 160.8° |
| H12 | CAM | CAY | H14 | 104.9° | 85.1° |
| H13 | CAM | CAY | H14 | 15.6° | 38.0° |
