XP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAJ | sing | 1.54Å | 1.56Å | |
| CAL | NAW | sing | 1.48Å | 1.53Å | |
| CAJ | CAK | sing | 1.55Å | 1.51Å | |
| CAK | CAM | sing | 1.55Å | 1.51Å | |
| CAM | NAW | sing | 1.49Å | 1.49Å | |
| NAW | C6 | sing | 1.38Å | 1.35Å | |
| C6 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C6 | N1 | doub | 1.33Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | CAS | sing | 1.47Å | 1.37Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | NAA | sing | 1.38Å | 1.32Å | |
| C2 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | NAP | sing | 1.37Å | 1.34Å | Aromatic |
| NAP | CAI | sing | 1.37Å | 1.33Å | Aromatic |
| CAI | CAS | doub | 1.36Å | 1.34Å | Aromatic |
| CAS | CAC | sing | 1.43Å | 1.43Å | |
| CAC | CAB | trip | 1.17Å | 1.10Å | |
| CAB | CAQ | sing | 1.43Å | 1.43Å | |
| CAQ | CAG | sing | 1.40Å | 1.36Å | Aromatic |
| CAQ | CAH | doub | 1.40Å | 1.38Å | Aromatic |
| CAG | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | 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 | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| NAA | HAA1 | sing | 0.97Å | 1.00Å | |
| NAA | HAA2 | sing | 0.97Å | 1.00Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAL | NAW | 103.8° | 107.0° |
| CAL | CAJ | CAK | 107.3° | 105.2° |
| CAJ | CAL | HAL1 | 110.9° | 109.8° |
| CAJ | CAL | HAL2 | 110.9° | 109.9° |
| CAL | CAJ | HAJ1 | 110.0° | 110.3° |
| CAL | CAJ | HAJ2 | 110.0° | 110.3° |
| CAL | NAW | CAM | 109.5° | 105.8° |
| CAL | NAW | C6 | 122.0° | 111.0° |
| NAW | CAL | HAL1 | 110.9° | 109.9° |
| NAW | CAL | HAL2 | 110.9° | 110.0° |
| CAJ | CAK | CAM | 106.3° | 102.9° |
| CAK | CAJ | HAJ1 | 110.0° | 110.3° |
| CAK | CAJ | HAJ2 | 110.0° | 110.3° |
| CAJ | CAK | HAK1 | 110.3° | 110.7° |
| CAJ | CAK | HAK2 | 110.3° | 110.7° |
| CAK | CAM | NAW | 104.9° | 103.2° |
| CAM | CAK | HAK1 | 110.3° | 110.7° |
| CAM | CAK | HAK2 | 110.2° | 110.7° |
| CAK | CAM | HAM1 | 110.6° | 110.7° |
| CAK | CAM | HAM2 | 110.6° | 110.6° |
| CAM | NAW | C6 | 127.5° | 111.0° |
| NAW | CAM | HAM1 | 110.6° | 110.7° |
| NAW | CAM | HAM2 | 110.6° | 110.7° |
| NAW | C6 | C5 | 126.2° | 120.8° |
| NAW | C6 | N1 | 114.6° | 120.8° |
| C5 | C6 | N1 | 119.1° | 118.5° |
| C6 | C5 | C4 | 117.5° | 118.9° |
| C6 | C5 | CAS | 139.3° | 134.9° |
| C6 | N1 | C2 | 121.6° | 120.9° |
| C4 | C5 | CAS | 103.2° | 106.2° |
| C5 | C4 | N3 | 121.6° | 118.6° |
| C5 | C4 | NAP | 110.1° | 107.5° |
| C5 | CAS | CAI | 110.5° | 106.4° |
| C5 | CAS | CAC | 134.6° | 126.8° |
| N1 | C2 | NAA | 120.6° | 118.8° |
| N1 | C2 | N3 | 119.2° | 122.4° |
| NAA | C2 | N3 | 120.2° | 118.8° |
| C2 | NAA | HAA1 | 109.5° | 120.0° |
| C2 | NAA | HAA2 | 109.5° | 120.0° |
| C2 | N3 | C4 | 120.9° | 120.7° |
| N3 | C4 | NAP | 128.3° | 133.9° |
| C4 | NAP | CAI | 107.8° | 110.4° |
| C4 | NAP | HAP | 126.1° | 124.8° |
| NAP | CAI | CAS | 108.4° | 109.5° |
| CAI | NAP | HAP | 126.1° | 124.8° |
| NAP | CAI | HAI | 125.8° | 125.3° |
| CAI | CAS | CAC | 114.8° | 126.8° |
| CAS | CAI | HAI | 125.8° | 125.2° |
| CAS | CAC | CAB | 178.4° | 179.9° |
| CAC | CAB | CAQ | 179.9° | 179.9° |
| CAB | CAQ | CAG | 119.5° | 120.2° |
| CAB | CAQ | CAH | 121.7° | 120.2° |
| CAG | CAQ | CAH | 118.5° | 119.7° |
| CAQ | CAG | CAE | 121.1° | 119.9° |
| CAQ | CAG | HAG | 119.5° | 120.0° |
| CAQ | CAH | CAF | 121.0° | 119.8° |
| CAQ | CAH | HAH | 119.5° | 120.1° |
| CAG | CAE | CAD | 120.8° | 120.2° |
| CAE | CAG | HAG | 119.5° | 120.1° |
| CAG | CAE | HAE | 119.6° | 120.0° |
| CAE | CAD | CAF | 118.1° | 120.3° |
| CAD | CAE | HAE | 119.6° | 119.8° |
| CAE | CAD | HAD | 121.0° | 119.9° |
| CAD | CAF | CAH | 120.4° | 120.2° |
| CAF | CAD | HAD | 121.0° | 119.8° |
| CAD | CAF | HAF | 119.8° | 119.9° |
| CAF | CAH | HAH | 119.5° | 120.1° |
| CAH | CAF | HAF | 119.8° | 119.9° |
| HAL1 | CAL | HAL2 | 109.5° | 110.1° |
| HAJ1 | CAJ | HAJ2 | 109.5° | 110.3° |
| HAK1 | CAK | HAK2 | 109.5° | 110.8° |
| HAM1 | CAM | HAM2 | 109.5° | 110.7° |
| HAA1 | NAA | HAA2 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAL | NAW | HAL1 | 119.1° | 119.2° |
| CAJ | CAL | NAW | HAL2 | 119.1° | 119.4° |
| CAL | CAJ | CAK | HAJ1 | 119.7° | 118.9° |
| CAL | CAJ | CAK | HAJ2 | 119.7° | 118.9° |
| CAL | CAJ | CAK | CAM | 23.2° | 21.9° |
| CAJ | CAL | NAW | CAM | 10.1° | 25.4° |
| CAJ | CAL | NAW | C6 | 179.7° | 145.8° |
| CAJ | CAL | HAL1 | HAL2 | 122.6° | 121.2° |
| CAL | CAJ | HAJ1 | HAJ2 | 121.0° | 122.2° |
| CAL | CAJ | CAK | HAK1 | 142.7° | 140.3° |
| CAL | CAJ | CAK | HAK2 | 96.3° | 96.4° |
| NAW | CAL | CAJ | CAK | 8.2° | 1.3° |
| CAL | NAW | CAM | CAK | 24.3° | 39.3° |
| CAL | NAW | CAM | C6 | 168.9° | 120.4° |
| CAL | NAW | C6 | C5 | 173.6° | 180.0° |
| CAL | NAW | C6 | N1 | 4.2° | 0.3° |
| NAW | CAL | HAL1 | HAL2 | 122.6° | 121.3° |
| NAW | CAL | CAJ | HAJ1 | 111.5° | 120.2° |
| NAW | CAL | CAJ | HAJ2 | 127.9° | 117.7° |
| CAL | NAW | CAM | HAM1 | 94.9° | 79.2° |
| CAL | NAW | CAM | HAM2 | 143.6° | 157.7° |
| CAJ | CAK | CAM | HAK1 | 119.5° | 118.3° |
| CAJ | CAK | CAM | HAK2 | 119.5° | 118.3° |
| CAJ | CAK | CAM | NAW | 29.1° | 37.4° |
| CAK | CAJ | CAL | HAL1 | 110.9° | 120.6° |
| CAK | CAJ | CAL | HAL2 | 127.3° | 118.1° |
| CAK | CAJ | HAJ1 | HAJ2 | 121.0° | 122.1° |
| CAJ | CAK | HAK1 | HAK2 | 121.5° | 123.2° |
| CAJ | CAK | CAM | HAM1 | 90.2° | 81.0° |
| CAJ | CAK | CAM | HAM2 | 148.4° | 155.8° |
| CAK | CAM | NAW | HAM1 | 119.3° | 118.5° |
| CAK | CAM | NAW | HAM2 | 119.3° | 118.4° |
| CAK | CAM | NAW | C6 | 166.8° | 159.7° |
| CAM | CAK | CAJ | HAJ1 | 96.5° | 97.0° |
| CAM | CAK | CAJ | HAJ2 | 142.8° | 140.9° |
| CAM | CAK | HAK1 | HAK2 | 121.4° | 123.3° |
| CAK | CAM | HAM1 | HAM2 | 122.1° | 123.1° |
| CAM | NAW | C6 | C5 | 6.0° | 62.6° |
| CAM | NAW | C6 | N1 | 171.9° | 117.7° |
| CAM | NAW | CAL | HAL1 | 129.2° | 144.6° |
| CAM | NAW | CAL | HAL2 | 109.0° | 94.0° |
| NAW | CAM | CAK | HAK1 | 148.6° | 155.7° |
| NAW | CAM | CAK | HAK2 | 90.4° | 80.9° |
| NAW | CAM | HAM1 | HAM2 | 122.1° | 123.1° |
| NAW | C6 | C5 | N1 | 177.7° | 179.7° |
| NAW | C6 | C5 | C4 | 178.6° | 180.0° |
| NAW | C6 | C5 | CAS | 0.9° | 0.1° |
| NAW | C6 | N1 | C2 | 177.5° | 180.0° |
| C6 | NAW | CAL | HAL1 | 61.2° | 94.9° |
| C6 | NAW | CAL | HAL2 | 60.6° | 26.4° |
| C6 | NAW | CAM | HAM1 | 74.0° | 41.2° |
| C6 | NAW | CAM | HAM2 | 47.5° | 81.9° |
| C6 | C5 | C4 | CAS | 178.5° | 180.0° |
| C5 | C6 | N1 | C2 | 4.5° | 0.3° |
| C6 | C5 | C4 | N3 | 2.2° | 0.0° |
| C6 | C5 | C4 | NAP | 178.9° | 180.0° |
| C6 | C5 | CAS | CAI | 179.8° | 180.0° |
| C6 | C5 | CAS | CAC | 4.6° | 0.0° |
| N1 | C6 | C5 | C4 | 0.9° | 0.3° |
| N1 | C6 | C5 | CAS | 176.8° | 179.7° |
| C6 | N1 | C2 | NAA | 176.8° | 180.0° |
| C6 | N1 | C2 | N3 | 5.0° | 0.0° |
| C5 | C4 | N3 | C2 | 1.8° | 0.3° |
| C5 | C4 | N3 | NAP | 176.1° | 180.0° |
| C5 | C4 | NAP | CAI | 2.0° | 0.0° |
| C4 | C5 | CAS | CAI | 2.3° | 0.0° |
| C4 | C5 | CAS | CAC | 177.4° | 180.0° |
| C5 | C4 | NAP | HAP | 178.0° | 179.9° |
| CAS | C5 | C4 | N3 | 179.3° | 180.0° |
| CAS | C5 | C4 | NAP | 2.6° | 0.0° |
| C5 | CAS | CAI | NAP | 1.2° | 0.0° |
| C5 | CAS | CAI | CAC | 176.2° | 180.0° |
| C5 | CAS | CAC | CAB | 174.4° | 170.5° |
| C5 | CAS | CAI | HAI | 178.8° | 180.0° |
| N1 | C2 | NAA | N3 | 178.1° | 180.0° |
| N1 | C2 | N3 | C4 | 1.8° | 0.3° |
| N1 | C2 | NAA | HAA1 | 0.0° | 0.0° |
| N1 | C2 | NAA | HAA2 | 120.0° | 180.0° |
| NAA | C2 | N3 | C4 | 180.0° | 179.7° |
| C2 | NAA | HAA1 | HAA2 | 120.0° | 180.0° |
| C2 | N3 | C4 | NAP | 177.9° | 179.7° |
| N3 | C2 | NAA | HAA1 | 178.1° | 180.0° |
| N3 | C2 | NAA | HAA2 | 58.1° | 0.0° |
| N3 | C4 | NAP | CAI | 178.4° | 180.0° |
| N3 | C4 | NAP | HAP | 1.6° | 0.1° |
| C4 | NAP | CAI | HAP | 180.0° | 179.9° |
| C4 | NAP | CAI | CAS | 0.5° | 0.0° |
| C4 | NAP | CAI | HAI | 179.5° | 180.0° |
| NAP | CAI | CAS | HAI | 180.0° | 180.0° |
| NAP | CAI | CAS | CAC | 177.4° | 180.0° |
| CAI | CAS | CAC | CAB | 10.6° | 9.5° |
| CAS | CAI | NAP | HAP | 179.5° | 179.9° |
| CAS | CAC | CAB | CAQ | 9.8° | 180.0° |
| CAC | CAS | CAI | HAI | 2.6° | 0.0° |
| CAC | CAB | CAQ | CAG | 172.9° | 170.5° |
| CAC | CAB | CAQ | CAH | 13.4° | 9.8° |
| CAB | CAQ | CAG | CAH | 173.9° | 179.7° |
| CAB | CAQ | CAG | CAE | 178.2° | 180.0° |
| CAB | CAQ | CAH | CAF | 179.0° | 179.7° |
| CAB | CAQ | CAG | HAG | 1.8° | 0.0° |
| CAB | CAQ | CAH | HAH | 1.0° | 0.1° |
| CAQ | CAG | CAE | HAG | 180.0° | 180.0° |
| CAQ | CAG | CAE | CAD | 0.5° | 0.1° |
| CAG | CAQ | CAH | CAF | 5.2° | 0.6° |
| CAG | CAQ | CAH | HAH | 174.8° | 179.7° |
| CAQ | CAG | CAE | HAE | 179.5° | 180.0° |
| CAH | CAQ | CAG | CAE | 4.3° | 0.3° |
| CAQ | CAH | CAF | CAD | 2.4° | 0.6° |
| CAQ | CAH | CAF | HAH | 180.0° | 179.6° |
| CAH | CAQ | CAG | HAG | 175.7° | 179.7° |
| CAQ | CAH | CAF | HAF | 177.6° | 179.6° |
| CAG | CAE | CAD | HAE | 180.0° | 179.9° |
| CAG | CAE | CAD | CAF | 2.4° | 0.1° |
| CAG | CAE | CAD | HAD | 177.6° | 179.9° |
| CAE | CAD | CAF | HAD | 180.0° | 180.0° |
| CAE | CAD | CAF | CAH | 1.5° | 0.2° |
| CAD | CAE | CAG | HAG | 179.5° | 179.9° |
| CAE | CAD | CAF | HAF | 178.5° | 180.0° |
| CAD | CAF | CAH | HAF | 180.0° | 179.8° |
| CAD | CAF | CAH | HAH | 177.6° | 179.8° |
| CAF | CAD | CAE | HAE | 177.6° | 180.0° |
| CAH | CAF | CAD | HAD | 178.5° | 179.7° |
| HAL1 | CAL | CAJ | HAJ1 | 129.4° | 120.5° |
| HAL1 | CAL | CAJ | HAJ2 | 8.7° | 1.6° |
| HAL2 | CAL | CAJ | HAJ1 | 7.6° | 0.7° |
| HAL2 | CAL | CAJ | HAJ2 | 113.1° | 122.9° |
| HAJ1 | CAJ | CAK | HAK1 | 23.0° | 21.4° |
| HAJ1 | CAJ | CAK | HAK2 | 144.0° | 144.7° |
| HAJ2 | CAJ | CAK | HAK1 | 97.6° | 100.8° |
| HAJ2 | CAJ | CAK | HAK2 | 23.3° | 22.5° |
| HAK1 | CAK | CAM | HAM1 | 29.3° | 37.3° |
| HAK1 | CAK | CAM | HAM2 | 92.1° | 85.8° |
| HAK2 | CAK | CAM | HAM1 | 150.3° | 160.6° |
| HAK2 | CAK | CAM | HAM2 | 28.9° | 37.5° |
| HAP | NAP | CAI | HAI | 0.5° | 0.1° |
| HAG | CAG | CAE | HAE | 0.5° | 0.0° |
| HAH | CAH | CAF | HAF | 2.4° | 0.0° |
| HAE | CAE | CAD | HAD | 2.4° | 0.0° |
| HAD | CAD | CAF | HAF | 1.5° | 0.0° |
