FU9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C2 | sing | 1.33Å | 1.35Å | Aromatic |
| NAT | C2 | sing | 1.38Å | 1.33Å | |
| C2 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.33Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C4 | CAZ | doub | 1.46Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | CBB | doub | 1.46Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CAU | OAA | sing | 1.35Å | 1.25Å | |
| OAA | HOAA | sing | 0.97Å | 0.95Å | |
| OAB | CAU | doub | 1.21Å | 1.25Å | |
| CBF | FAC | sing | 1.40Å | 1.32Å | |
| CBF | FAD | sing | 1.40Å | 1.32Å | |
| FAE | CBF | sing | 1.40Å | 1.33Å | |
| CAG | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAV | CAG | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAX | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | CAI | doub | 1.36Å | 1.39Å | Aromatic |
| CAI | CAW | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CBB | sing | 1.40Å | 1.40Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAV | CAL | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAW | CAM | doub | 1.39Å | 1.39Å | Aromatic |
| CBA | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAN | CBE | sing | 1.53Å | 1.53Å | |
| CAN | CAO | sing | 1.53Å | 1.54Å | |
| CAN | HAN | sing | 1.09Å | 1.10Å | |
| CAN | HANA | sing | 1.09Å | 1.10Å | |
| CBE | CAO | sing | 1.53Å | 1.52Å | |
| CAO | HAO | sing | 1.09Å | 1.10Å | |
| CAO | HAOA | sing | 1.09Å | 1.10Å | |
| CBA | NAQ | doub | 1.34Å | 1.36Å | Aromatic |
| CAZ | NAQ | sing | 1.31Å | 1.36Å | Aromatic |
| CAZ | NAS | sing | 1.38Å | 1.34Å | |
| NAS | CAV | sing | 1.40Å | 1.34Å | |
| NAS | HNAS | sing | 0.97Å | 1.00Å | |
| NAT | CBE | sing | 1.47Å | 1.47Å | |
| NAT | HNAT | sing | 0.97Å | 1.00Å | |
| CAW | CAU | sing | 1.48Å | 1.53Å | |
| CAX | CBF | sing | 1.51Å | 1.53Å | |
| CBB | CBA | sing | 1.42Å | 1.39Å | Aromatic |
| CBE | HBE | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | N1 | C2 | 120.4° | 121.4° |
| N1 | C6 | C5 | 119.5° | 118.2° |
| N1 | C6 | H6 | 120.3° | 120.9° |
| N1 | C2 | NAT | 121.2° | 118.7° |
| N1 | C2 | N3 | 121.3° | 122.6° |
| NAT | C2 | N3 | 117.4° | 118.7° |
| C2 | NAT | CBE | 118.0° | 120.0° |
| C2 | NAT | HNAT | 106.8° | 120.0° |
| C2 | N3 | C4 | 120.2° | 120.1° |
| N3 | C4 | C5 | 119.8° | 118.8° |
| N3 | C4 | CAZ | 118.9° | 122.7° |
| C5 | C4 | CAZ | 121.3° | 118.5° |
| C4 | C5 | C6 | 118.7° | 118.8° |
| C4 | C5 | CBB | 119.1° | 117.9° |
| C4 | CAZ | NAQ | 118.4° | 120.7° |
| C4 | CAZ | NAS | 115.1° | 119.7° |
| C6 | C5 | CBB | 122.2° | 123.2° |
| C5 | C6 | H6 | 120.3° | 120.9° |
| C5 | CBB | CAJ | 121.2° | 121.3° |
| C5 | CBB | CBA | 118.6° | 118.5° |
| CAU | OAA | HOAA | 109.5° | 117.0° |
| OAA | CAU | OAB | 123.6° | 120.0° |
| OAA | CAU | CAW | 118.6° | 120.0° |
| OAB | CAU | CAW | 116.4° | 120.0° |
| FAC | CBF | FAD | 109.3° | 109.4° |
| FAC | CBF | FAE | 108.4° | 109.5° |
| FAC | CBF | CAX | 108.4° | 109.5° |
| FAD | CBF | FAE | 109.5° | 109.5° |
| FAD | CBF | CAX | 109.7° | 109.4° |
| FAE | CBF | CAX | 111.4° | 109.5° |
| CAG | CAF | CAH | 119.1° | 120.1° |
| CAG | CAF | HAF | 120.5° | 120.0° |
| CAF | CAG | CAV | 121.0° | 119.9° |
| CAF | CAG | HAG | 119.5° | 120.1° |
| CAH | CAF | HAF | 120.5° | 120.0° |
| CAF | CAH | CAX | 120.5° | 120.2° |
| CAF | CAH | HAH | 119.7° | 119.9° |
| CAV | CAG | HAG | 119.5° | 120.0° |
| CAG | CAV | CAL | 119.2° | 119.8° |
| CAG | CAV | NAS | 117.1° | 120.1° |
| CAX | CAH | HAH | 119.8° | 120.0° |
| CAH | CAX | CAL | 120.1° | 120.1° |
| CAH | CAX | CBF | 119.2° | 120.0° |
| CAJ | CAI | CAW | 119.9° | 120.5° |
| CAJ | CAI | HAI | 120.0° | 119.8° |
| CAI | CAJ | CBB | 120.1° | 120.2° |
| CAI | CAJ | HAJ | 120.0° | 119.9° |
| CAW | CAI | HAI | 120.0° | 119.7° |
| CAI | CAW | CAM | 119.6° | 120.4° |
| CAI | CAW | CAU | 120.0° | 119.8° |
| CBB | CAJ | HAJ | 119.9° | 119.9° |
| CAJ | CBB | CBA | 120.2° | 120.2° |
| CAV | CAL | CAX | 119.6° | 119.9° |
| CAV | CAL | HAL | 120.2° | 120.0° |
| CAL | CAV | NAS | 123.5° | 120.1° |
| CAX | CAL | HAL | 120.2° | 120.1° |
| CAL | CAX | CBF | 120.7° | 119.9° |
| CAW | CAM | CBA | 120.9° | 119.8° |
| CAW | CAM | HAM | 119.6° | 120.1° |
| CAM | CAW | CAU | 120.2° | 119.8° |
| CBA | CAM | HAM | 119.5° | 120.1° |
| CAM | CBA | NAQ | 120.2° | 120.0° |
| CAM | CBA | CBB | 119.2° | 119.0° |
| CBE | CAN | CAO | 59.7° | 60.0° |
| CBE | CAN | HAN | 131.1° | 117.5° |
| CBE | CAN | HANA | 131.1° | 117.5° |
| CAN | CBE | CAO | 60.5° | 60.0° |
| CAN | CBE | NAT | 114.2° | 117.5° |
| CAN | CBE | HBE | 135.4° | 117.5° |
| CAO | CAN | HAN | 131.1° | 117.5° |
| CAO | CAN | HANA | 131.1° | 117.5° |
| CAN | CAO | CBE | 59.8° | 60.0° |
| CAN | CAO | HAO | 131.0° | 117.5° |
| CAN | CAO | HAOA | 131.0° | 117.5° |
| HAN | CAN | HANA | 81.5° | 115.5° |
| CBE | CAO | HAO | 131.0° | 117.5° |
| CBE | CAO | HAOA | 131.0° | 117.5° |
| CAO | CBE | NAT | 115.2° | 117.5° |
| CAO | CBE | HBE | 134.6° | 117.5° |
| HAO | CAO | HAOA | 81.7° | 115.6° |
| CBA | NAQ | CAZ | 121.8° | 123.4° |
| NAQ | CBA | CBB | 120.6° | 121.0° |
| NAQ | CAZ | NAS | 125.4° | 119.7° |
| CAZ | NAS | CAV | 129.9° | 120.0° |
| CAZ | NAS | HNAS | 115.1° | 120.0° |
| CAV | NAS | HNAS | 115.1° | 120.0° |
| CBE | NAT | HNAT | 106.7° | 120.0° |
| NAT | CBE | HBE | 96.2° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | N1 | C2 | NAT | 179.4° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.1° |
| N1 | C6 | C5 | C4 | 1.6° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | CBB | 179.7° | 180.0° |
| N1 | C2 | NAT | N3 | 179.5° | 179.9° |
| N1 | C2 | N3 | C4 | 0.7° | 0.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | H6 | 179.4° | 180.0° |
| N1 | C2 | NAT | CBE | 179.4° | 0.1° |
| N1 | C2 | NAT | HNAT | 59.4° | 180.0° |
| NAT | C2 | N3 | C4 | 178.8° | 180.0° |
| C2 | NAT | CBE | CAN | 168.9° | 155.0° |
| C2 | NAT | CBE | CAO | 123.8° | 136.4° |
| C2 | NAT | CBE | HNAT | 120.0° | 179.9° |
| C2 | NAT | CBE | HBE | 22.4° | 9.3° |
| C2 | N3 | C4 | C5 | 1.7° | 0.0° |
| C2 | N3 | C4 | CAZ | 178.4° | 180.0° |
| N3 | C2 | NAT | CBE | 0.2° | 180.0° |
| N3 | C2 | NAT | HNAT | 120.2° | 0.1° |
| N3 | C4 | C5 | CAZ | 179.9° | 179.9° |
| N3 | C4 | C5 | C6 | 2.1° | 0.0° |
| N3 | C4 | C5 | CBB | 179.1° | 180.0° |
| N3 | C4 | CAZ | NAQ | 176.1° | 179.9° |
| N3 | C4 | CAZ | NAS | 7.4° | 0.0° |
| C4 | C5 | C6 | CBB | 178.8° | 180.0° |
| C4 | C5 | C6 | H6 | 178.5° | 179.9° |
| C4 | C5 | CBB | CAJ | 179.2° | 180.0° |
| C5 | C4 | CAZ | NAQ | 3.8° | 0.0° |
| C5 | C4 | CAZ | NAS | 172.5° | 180.0° |
| C4 | C5 | CBB | CBA | 0.7° | 0.0° |
| CAZ | C4 | C5 | C6 | 178.0° | 180.0° |
| CAZ | C4 | C5 | CBB | 0.8° | 0.0° |
| C4 | CAZ | NAQ | CBA | 5.4° | 0.1° |
| C4 | CAZ | NAQ | NAS | 167.4° | 180.0° |
| C4 | CAZ | NAS | CAV | 179.9° | 174.4° |
| C4 | CAZ | NAS | HNAS | 0.1° | 5.6° |
| C6 | C5 | CBB | CAJ | 0.5° | 0.0° |
| C6 | C5 | CBB | CBA | 179.4° | 180.0° |
| CBB | C5 | C6 | H6 | 0.3° | 0.0° |
| C5 | CBB | CAJ | CAI | 179.2° | 180.0° |
| C5 | CBB | CAJ | CBA | 179.9° | 180.0° |
| C5 | CBB | CAJ | HAJ | 0.8° | 0.1° |
| C5 | CBB | CBA | CAM | 179.3° | 179.9° |
| C5 | CBB | CBA | NAQ | 0.8° | 0.0° |
| OAA | CAU | OAB | CAW | 166.1° | 180.0° |
| OAA | CAU | CAW | CAI | 177.0° | 0.1° |
| OAA | CAU | CAW | CAM | 8.4° | 180.0° |
| HOAA | OAA | CAU | OAB | 0.0° | 0.0° |
| HOAA | OAA | CAU | CAW | 165.7° | 180.0° |
| OAB | CAU | CAW | CAI | 16.2° | 180.0° |
| OAB | CAU | CAW | CAM | 158.4° | 0.0° |
| FAC | CBF | FAD | FAE | 118.7° | 120.0° |
| FAC | CBF | FAD | CAX | 118.8° | 120.0° |
| FAC | CBF | FAE | CAX | 119.3° | 120.0° |
| FAC | CBF | CAX | CAH | 78.4° | 150.5° |
| FAC | CBF | CAX | CAL | 101.0° | 30.0° |
| FAD | CBF | FAE | CAX | 121.5° | 120.0° |
| FAD | CBF | CAX | CAH | 40.9° | 30.6° |
| FAD | CBF | CAX | CAL | 139.6° | 150.0° |
| FAE | CBF | CAX | CAH | 162.3° | 89.4° |
| FAE | CBF | CAX | CAL | 18.2° | 90.0° |
| CAG | CAF | CAH | HAF | 180.0° | 179.7° |
| CAF | CAG | CAV | HAG | 180.0° | 180.0° |
| CAG | CAF | CAH | CAX | 2.8° | 0.3° |
| CAG | CAF | CAH | HAH | 177.2° | 179.8° |
| CAF | CAG | CAV | CAL | 8.6° | 0.1° |
| CAF | CAG | CAV | NAS | 176.7° | 180.0° |
| CAH | CAF | CAG | CAV | 7.0° | 0.0° |
| CAH | CAF | CAG | HAG | 172.9° | 180.0° |
| CAF | CAH | CAX | HAH | 180.0° | 179.9° |
| CAF | CAH | CAX | CAL | 0.3° | 0.6° |
| CAF | CAH | CAX | CBF | 179.8° | 180.0° |
| HAF | CAF | CAG | CAV | 173.0° | 179.7° |
| HAF | CAF | CAG | HAG | 7.1° | 0.3° |
| HAF | CAF | CAH | CAX | 177.1° | 180.0° |
| HAF | CAF | CAH | HAH | 2.9° | 0.0° |
| CAG | CAV | CAL | NAS | 174.3° | 179.9° |
| CAG | CAV | CAL | CAX | 5.9° | 0.2° |
| CAG | CAV | CAL | HAL | 174.1° | 179.7° |
| CAG | CAV | NAS | CAZ | 179.9° | 33.4° |
| CAG | CAV | NAS | HNAS | 0.1° | 146.6° |
| HAG | CAG | CAV | CAL | 171.4° | 180.0° |
| HAG | CAG | CAV | NAS | 3.3° | 0.1° |
| CAH | CAX | CAL | CAV | 1.9° | 0.5° |
| CAH | CAX | CAL | CBF | 179.5° | 179.4° |
| CAH | CAX | CAL | HAL | 178.1° | 180.0° |
| HAH | CAH | CAX | CAL | 179.7° | 179.5° |
| HAH | CAH | CAX | CBF | 0.2° | 0.1° |
| CAJ | CAI | CAW | HAI | 180.0° | 180.0° |
| CAI | CAJ | CBB | HAJ | 180.0° | 179.9° |
| CAJ | CAI | CAW | CAM | 3.7° | 0.0° |
| CAJ | CAI | CAW | CAU | 178.4° | 180.0° |
| CAI | CAJ | CBB | CBA | 0.9° | 0.0° |
| CAW | CAI | CAJ | CBB | 2.3° | 0.0° |
| CAW | CAI | CAJ | HAJ | 177.7° | 179.9° |
| CAI | CAW | CAM | CAU | 174.7° | 180.0° |
| CAI | CAW | CAM | CBA | 3.6° | 0.0° |
| CAI | CAW | CAM | HAM | 176.4° | 180.0° |
| HAI | CAI | CAJ | CBB | 177.7° | 180.0° |
| HAI | CAI | CAJ | HAJ | 2.3° | 0.1° |
| HAI | CAI | CAW | CAM | 176.3° | 180.0° |
| HAI | CAI | CAW | CAU | 1.7° | 0.0° |
| CAJ | CBB | CBA | CAM | 0.8° | 0.0° |
| CAJ | CBB | CBA | NAQ | 179.3° | 179.9° |
| HAJ | CAJ | CBB | CBA | 179.1° | 179.9° |
| CAV | CAL | CAX | HAL | 180.0° | 179.5° |
| CAL | CAV | NAS | CAZ | 5.6° | 146.7° |
| CAL | CAV | NAS | HNAS | 174.3° | 33.3° |
| CAV | CAL | CAX | CBF | 178.7° | 180.0° |
| CAX | CAL | CAV | NAS | 179.7° | 179.7° |
| HAL | CAL | CAV | NAS | 0.3° | 0.2° |
| HAL | CAL | CAX | CBF | 1.3° | 0.5° |
| CAW | CAM | CBA | HAM | 180.0° | 180.0° |
| CAW | CAM | CBA | NAQ | 179.3° | 180.0° |
| CAW | CAM | CBA | CBB | 2.2° | 0.0° |
| CAM | CBA | NAQ | CBB | 178.5° | 179.9° |
| CAM | CBA | NAQ | CAZ | 177.5° | 180.0° |
| CBA | CAM | CAW | CAU | 178.3° | 180.0° |
| HAM | CAM | CBA | NAQ | 0.6° | 0.1° |
| HAM | CAM | CAW | CAU | 1.7° | 0.0° |
| HAM | CAM | CBA | CBB | 177.9° | 180.0° |
| CBE | CAN | CAO | HAN | 120.0° | 107.5° |
| CBE | CAN | CAO | HANA | 120.0° | 107.4° |
| CBE | CAN | HAN | HANA | 138.7° | 145.6° |
| CAN | CBE | CAO | NAT | 104.8° | 107.5° |
| CAN | CBE | CAO | HBE | 126.2° | 107.5° |
| CBE | CAN | CAO | HAO | 120.0° | 107.5° |
| CBE | CAN | CAO | HAOA | 120.0° | 107.5° |
| CAN | CBE | NAT | HBE | 146.5° | 145.7° |
| CAN | CBE | NAT | HNAT | 71.1° | 24.9° |
| CAO | CAN | HAN | HANA | 138.7° | 145.8° |
| CAN | CAO | HAO | HAOA | 138.7° | 145.6° |
| HAN | CAN | CAO | HAO | 0.1° | 145.0° |
| HAN | CAN | CAO | HAOA | 120.0° | 0.1° |
| HAN | CAN | CBE | NAT | 13.6° | 145.0° |
| HAN | CAN | CBE | HBE | 115.0° | 0.0° |
| HANA | CAN | CAO | HAO | 120.0° | 0.1° |
| HANA | CAN | CAO | HAOA | 0.0° | 145.0° |
| HANA | CAN | CBE | NAT | 133.7° | 0.1° |
| HANA | CAN | CBE | HBE | 5.1° | 145.0° |
| CBE | CAO | HAO | HAOA | 138.6° | 145.7° |
| CAO | CBE | NAT | HBE | 146.2° | 145.7° |
| CAO | CBE | NAT | HNAT | 3.7° | 43.7° |
| HAO | CAO | CBE | NAT | 15.2° | 0.0° |
| HAO | CAO | CBE | HBE | 113.8° | 145.1° |
| HAOA | CAO | CBE | NAT | 135.2° | 145.0° |
| HAOA | CAO | CBE | HBE | 6.2° | 0.0° |
| CBA | NAQ | CAZ | NAS | 172.8° | 180.0° |
| NAQ | CAZ | NAS | CAV | 12.1° | 5.5° |
| NAQ | CAZ | NAS | HNAS | 167.9° | 174.5° |
| CAZ | NAQ | CBA | CBB | 4.0° | 0.1° |
| CAZ | NAS | CAV | HNAS | 180.0° | 180.0° |
| HNAT | NAT | CBE | HBE | 142.4° | 170.6° |
