3ZF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | sing | 1.35Å | 1.36Å | |
| N1 | C2 | sing | 1.36Å | 1.34Å | |
| N2 | C2 | sing | 1.37Å | 1.44Å | |
| C2 | N3 | doub | 1.31Å | 1.36Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å | |
| N3 | C4 | sing | 1.34Å | 1.38Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C5 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.44Å | |
| C5 | N7 | sing | 1.36Å | 1.40Å | Aromatic |
| O6 | C6 | doub | 1.22Å | 1.37Å | |
| N7 | C8 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | CAT | sing | 1.47Å | 1.47Å | |
| CAO | OAB | doub | 1.21Å | 1.23Å | |
| OAD | PAW | sing | 1.61Å | 1.49Å | |
| OAD | HOAD | sing | 0.97Å | 0.95Å | |
| PAW | OAE | sing | 1.61Å | 1.56Å | |
| OAE | HOAE | sing | 0.97Å | 0.95Å | |
| OAF | PAW | doub | 1.48Å | 1.57Å | |
| CAT | CAH | sing | 1.55Å | 1.46Å | |
| CAH | CAI | sing | 1.54Å | 1.48Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAI | NAU | sing | 1.47Å | 1.46Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAO | CAJ | sing | 1.51Å | 1.54Å | |
| CAJ | PAW | sing | 1.82Å | 1.82Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAT | CAK | sing | 1.55Å | 1.48Å | |
| CAK | NAU | sing | 1.47Å | 1.48Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| NAU | CAO | sing | 1.35Å | 1.46Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 121.4° | 120.3° |
| C6 | N1 | HN1 | 119.3° | 119.8° |
| N1 | C6 | C5 | 118.2° | 118.3° |
| N1 | C6 | O6 | 120.8° | 120.9° |
| N1 | C2 | N2 | 119.2° | 119.0° |
| N1 | C2 | N3 | 121.8° | 121.9° |
| C2 | N1 | HN1 | 119.3° | 119.9° |
| N2 | C2 | N3 | 119.0° | 119.1° |
| C2 | N2 | HN2 | 120.0° | 120.0° |
| C2 | N2 | HN2A | 120.0° | 120.0° |
| C2 | N3 | C4 | 119.7° | 121.1° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| N3 | C4 | C5 | 119.9° | 119.7° |
| N3 | C4 | N9 | 133.3° | 134.2° |
| C5 | C4 | N9 | 106.8° | 106.1° |
| C4 | C5 | C6 | 119.1° | 118.6° |
| C4 | C5 | N7 | 107.2° | 107.2° |
| C4 | N9 | C8 | 108.9° | 107.5° |
| C4 | N9 | CAT | 124.8° | 126.2° |
| C6 | C5 | N7 | 133.7° | 134.1° |
| C5 | C6 | O6 | 121.0° | 120.8° |
| C5 | N7 | C8 | 108.4° | 109.4° |
| N7 | C8 | N9 | 108.6° | 109.8° |
| N7 | C8 | H8 | 125.7° | 125.2° |
| N9 | C8 | H8 | 125.7° | 125.0° |
| C8 | N9 | CAT | 126.3° | 126.3° |
| N9 | CAT | CAH | 110.4° | 111.0° |
| N9 | CAT | CAK | 109.4° | 111.0° |
| N9 | CAT | HAT | 110.2° | 110.9° |
| OAB | CAO | CAJ | 120.5° | 120.0° |
| OAB | CAO | NAU | 120.4° | 120.0° |
| PAW | OAD | HOAD | 109.5° | 114.0° |
| OAD | PAW | OAE | 109.3° | 109.5° |
| OAD | PAW | OAF | 108.7° | 109.5° |
| OAD | PAW | CAJ | 109.0° | 109.5° |
| PAW | OAE | HOAE | 109.5° | 114.0° |
| OAE | PAW | OAF | 109.9° | 109.5° |
| OAE | PAW | CAJ | 110.2° | 109.4° |
| OAF | PAW | CAJ | 109.8° | 109.5° |
| CAT | CAH | CAI | 106.2° | 102.9° |
| CAT | CAH | HAH | 110.3° | 110.7° |
| CAT | CAH | HAHA | 110.3° | 110.9° |
| CAH | CAT | CAK | 106.4° | 101.6° |
| CAH | CAT | HAT | 110.4° | 111.0° |
| CAI | CAH | HAH | 110.3° | 110.7° |
| CAI | CAH | HAHA | 110.3° | 110.7° |
| CAH | CAI | NAU | 106.2° | 107.3° |
| CAH | CAI | HAI | 110.3° | 109.9° |
| CAH | CAI | HAIA | 110.3° | 109.9° |
| HAH | CAH | HAHA | 109.5° | 110.6° |
| NAU | CAI | HAI | 110.3° | 109.9° |
| NAU | CAI | HAIA | 110.2° | 109.8° |
| CAI | NAU | CAK | 108.9° | 108.7° |
| CAI | NAU | CAO | 126.0° | 125.6° |
| HAI | CAI | HAIA | 109.5° | 110.0° |
| CAO | CAJ | PAW | 116.2° | 109.5° |
| CAO | CAJ | HAJ | 107.8° | 109.5° |
| CAO | CAJ | HAJA | 107.7° | 109.5° |
| CAJ | CAO | NAU | 119.1° | 120.0° |
| PAW | CAJ | HAJ | 107.8° | 109.5° |
| PAW | CAJ | HAJA | 107.8° | 109.5° |
| HAJ | CAJ | HAJA | 109.4° | 109.5° |
| CAT | CAK | NAU | 104.8° | 104.9° |
| CAT | CAK | HAK | 110.6° | 110.4° |
| CAT | CAK | HAKA | 110.6° | 110.4° |
| CAK | CAT | HAT | 110.0° | 111.1° |
| NAU | CAK | HAK | 110.6° | 110.4° |
| NAU | CAK | HAKA | 110.6° | 110.4° |
| CAK | NAU | CAO | 125.0° | 125.7° |
| HAK | CAK | HAKA | 109.5° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | HN1 | 180.0° | 179.7° |
| C6 | N1 | C2 | N2 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | O6 | 179.9° | 180.0° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| N1 | C2 | N2 | N3 | 180.0° | 179.9° |
| N1 | C2 | N2 | HN2 | 179.9° | 0.0° |
| N1 | C2 | N2 | HN2A | 0.1° | 180.0° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| C2 | N1 | C6 | O6 | 179.9° | 180.0° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 179.9° | 180.0° |
| N2 | C2 | N1 | HN1 | 0.1° | 0.3° |
| N3 | C2 | N2 | HN2 | 0.0° | 179.9° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.0° |
| N3 | C2 | N1 | HN1 | 179.9° | 179.7° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | N9 | 180.0° | 180.0° |
| N3 | C4 | C5 | N9 | 179.8° | 180.0° |
| N3 | C4 | C5 | C6 | 0.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.7° | 180.0° |
| N3 | C4 | N9 | CAT | 0.1° | 0.1° |
| HN1 | N1 | C6 | C5 | 179.8° | 179.7° |
| HN1 | N1 | C6 | O6 | 0.1° | 0.3° |
| C4 | C5 | C6 | N7 | 180.0° | 180.0° |
| C4 | C5 | C6 | O6 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | CAT | 179.9° | 179.9° |
| N9 | C4 | C5 | C6 | 180.0° | 180.0° |
| N9 | C4 | C5 | N7 | 0.0° | 0.0° |
| C4 | N9 | C8 | N7 | 0.3° | 0.0° |
| C4 | N9 | C8 | CAT | 179.7° | 179.9° |
| C4 | N9 | C8 | H8 | 179.7° | 180.0° |
| C4 | N9 | CAT | CAH | 50.5° | 121.5° |
| C4 | N9 | CAT | CAK | 167.3° | 126.4° |
| C4 | N9 | CAT | HAT | 71.7° | 2.3° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| N7 | C5 | C6 | O6 | 0.0° | 0.0° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | CAT | 180.0° | 180.0° |
| C8 | N9 | CAT | CAH | 129.2° | 58.6° |
| C8 | N9 | CAT | CAK | 12.4° | 53.6° |
| C8 | N9 | CAT | HAT | 108.7° | 177.6° |
| H8 | C8 | N9 | CAT | 0.0° | 0.0° |
| N9 | CAT | CAH | CAK | 118.6° | 118.1° |
| N9 | CAT | CAH | HAT | 122.0° | 123.8° |
| N9 | CAT | CAH | CAI | 90.9° | 153.6° |
| N9 | CAT | CAH | HAH | 149.6° | 35.2° |
| N9 | CAT | CAH | HAHA | 28.6° | 88.0° |
| N9 | CAT | CAK | HAT | 121.1° | 123.9° |
| N9 | CAT | CAK | NAU | 94.3° | 155.1° |
| N9 | CAT | CAK | HAK | 25.0° | 36.2° |
| N9 | CAT | CAK | HAKA | 146.5° | 86.1° |
| OAB | CAO | NAU | CAI | 0.2° | 180.0° |
| OAB | CAO | CAJ | NAU | 179.5° | 179.9° |
| OAB | CAO | CAJ | PAW | 27.9° | 80.0° |
| OAB | CAO | CAJ | HAJ | 148.9° | 160.0° |
| OAB | CAO | CAJ | HAJA | 93.1° | 40.0° |
| OAB | CAO | NAU | CAK | 179.9° | 0.1° |
| OAD | PAW | OAE | OAF | 119.1° | 120.0° |
| OAD | PAW | OAE | CAJ | 119.8° | 120.0° |
| OAD | PAW | OAE | HOAE | 119.1° | 60.0° |
| OAD | PAW | OAF | CAJ | 119.2° | 120.0° |
| OAD | PAW | CAJ | CAO | 160.4° | 175.0° |
| OAD | PAW | CAJ | HAJ | 39.3° | 65.0° |
| OAD | PAW | CAJ | HAJA | 78.7° | 55.0° |
| HOAD | OAD | PAW | OAE | 119.9° | 59.9° |
| HOAD | OAD | PAW | OAF | 0.0° | 60.1° |
| HOAD | OAD | PAW | CAJ | 119.6° | 179.9° |
| OAE | PAW | OAF | CAJ | 121.4° | 120.0° |
| OAE | PAW | CAJ | CAO | 79.7° | 65.0° |
| OAE | PAW | CAJ | HAJ | 159.2° | 55.0° |
| OAE | PAW | CAJ | HAJA | 41.2° | 175.0° |
| HOAE | OAE | PAW | OAF | 0.0° | 180.0° |
| HOAE | OAE | PAW | CAJ | 121.1° | 60.0° |
| OAF | PAW | CAJ | CAO | 41.4° | 55.0° |
| OAF | PAW | CAJ | HAJ | 79.6° | 175.0° |
| OAF | PAW | CAJ | HAJA | 162.4° | 65.0° |
| CAT | CAH | CAI | HAH | 119.5° | 118.3° |
| CAT | CAH | CAI | HAHA | 119.5° | 118.6° |
| CAT | CAH | HAH | HAHA | 121.5° | 123.4° |
| CAT | CAH | CAI | NAU | 19.4° | 22.2° |
| CAT | CAH | CAI | HAI | 138.9° | 97.2° |
| CAT | CAH | CAI | HAIA | 100.1° | 141.6° |
| CAH | CAT | CAK | HAT | 119.6° | 118.1° |
| CAH | CAT | CAK | NAU | 25.0° | 37.0° |
| CAH | CAT | CAK | HAK | 144.3° | 81.9° |
| CAH | CAT | CAK | HAKA | 94.2° | 155.9° |
| CAI | CAH | HAH | HAHA | 121.5° | 123.1° |
| CAH | CAI | NAU | HAI | 119.5° | 119.5° |
| CAH | CAI | NAU | HAIA | 119.5° | 119.4° |
| CAH | CAI | HAI | HAIA | 121.5° | 121.1° |
| CAI | CAH | CAT | CAK | 27.7° | 35.5° |
| CAH | CAI | NAU | CAK | 3.7° | 1.1° |
| CAH | CAI | NAU | CAO | 176.1° | 178.9° |
| CAI | CAH | CAT | HAT | 147.1° | 82.7° |
| HAH | CAH | CAI | NAU | 100.1° | 96.1° |
| HAH | CAH | CAI | HAI | 19.4° | 144.4° |
| HAH | CAH | CAI | HAIA | 140.4° | 23.2° |
| HAH | CAH | CAT | CAK | 91.8° | 82.8° |
| HAH | CAH | CAT | HAT | 27.6° | 159.0° |
| HAHA | CAH | CAI | NAU | 138.8° | 140.8° |
| HAHA | CAH | CAI | HAI | 101.6° | 21.3° |
| HAHA | CAH | CAI | HAIA | 19.4° | 99.9° |
| HAHA | CAH | CAT | CAK | 147.2° | 153.9° |
| HAHA | CAH | CAT | HAT | 93.5° | 35.8° |
| NAU | CAI | HAI | HAIA | 121.5° | 121.1° |
| CAI | NAU | CAO | CAJ | 179.7° | 0.1° |
| CAI | NAU | CAK | CAT | 13.0° | 24.1° |
| CAI | NAU | CAK | CAO | 179.8° | 179.9° |
| CAI | NAU | CAK | HAK | 132.2° | 94.7° |
| CAI | NAU | CAK | HAKA | 106.3° | 143.0° |
| HAI | CAI | NAU | CAK | 123.2° | 120.5° |
| HAI | CAI | NAU | CAO | 56.6° | 59.4° |
| HAIA | CAI | NAU | CAK | 115.8° | 118.3° |
| HAIA | CAI | NAU | CAO | 64.4° | 61.7° |
| CAO | CAJ | PAW | HAJ | 121.0° | 120.0° |
| CAO | CAJ | PAW | HAJA | 121.0° | 120.0° |
| CAO | CAJ | HAJ | HAJA | 116.9° | 120.0° |
| CAJ | CAO | NAU | CAK | 0.6° | 180.0° |
| PAW | CAJ | HAJ | HAJA | 116.9° | 120.0° |
| PAW | CAJ | CAO | NAU | 151.6° | 100.1° |
| HAJ | CAJ | CAO | NAU | 30.6° | 20.0° |
| HAJA | CAJ | CAO | NAU | 87.4° | 140.0° |
| CAT | CAK | NAU | HAK | 119.2° | 118.9° |
| CAT | CAK | NAU | HAKA | 119.2° | 118.9° |
| CAT | CAK | HAK | HAKA | 122.2° | 122.3° |
| CAT | CAK | NAU | CAO | 167.2° | 155.8° |
| NAU | CAK | HAK | HAKA | 122.2° | 122.3° |
| NAU | CAK | CAT | HAT | 144.6° | 81.0° |
| HAK | CAK | NAU | CAO | 48.0° | 85.3° |
| HAK | CAK | CAT | HAT | 96.2° | 160.1° |
| HAKA | CAK | NAU | CAO | 73.5° | 36.9° |
| HAKA | CAK | CAT | HAT | 25.4° | 37.8° |
