8FU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAZ | CAV | sing | 1.53Å | 1.49Å | |
| NAW | CAV | sing | 1.47Å | 1.43Å | |
| NAW | CAX | sing | 1.47Å | 1.43Å | |
| CAU | CAV | sing | 1.53Å | 1.53Å | |
| CAU | NAT | sing | 1.47Å | 1.45Å | |
| CAX | CAY | sing | 1.53Å | 1.51Å | |
| CAY | NAT | sing | 1.47Å | 1.45Å | |
| NAT | CAS | sing | 1.35Å | 1.43Å | |
| CAS | OBA | doub | 1.22Å | 1.22Å | |
| CAS | C2 | sing | 1.48Å | 1.51Å | |
| N1 | C2 | doub | 1.32Å | 1.37Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.39Å | Aromatic |
| CAD | C6 | doub | 1.40Å | 1.37Å | Aromatic |
| CAD | CAC | sing | 1.36Å | 1.49Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.48Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.45Å | Aromatic |
| CAC | CAB | doub | 1.39Å | 1.31Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.31Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.46Å | Aromatic |
| C5 | CAA | doub | 1.40Å | 1.36Å | Aromatic |
| CAB | CAA | sing | 1.37Å | 1.50Å | Aromatic |
| CAB | CL | sing | 1.74Å | 1.73Å | |
| C4 | NAL | sing | 1.38Å | 1.41Å | |
| NAL | CAM | sing | 1.40Å | 1.44Å | |
| CAN | CAM | sing | 1.40Å | 1.42Å | Aromatic |
| CAN | CAO | doub | 1.35Å | 1.38Å | Aromatic |
| CAM | NAQ | doub | 1.31Å | 1.36Å | Aromatic |
| CAR | CAO | sing | 1.51Å | 1.54Å | |
| CAO | NAP | sing | 1.35Å | 1.39Å | Aromatic |
| NAQ | NAP | sing | 1.40Å | 1.38Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAN | H4 | sing | 1.08Å | 1.08Å | |
| CAR | H5 | sing | 1.09Å | 1.10Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAU | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| CAV | H10 | sing | 1.09Å | 1.10Å | |
| CAX | H11 | sing | 1.09Å | 1.10Å | |
| CAX | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.09Å | 1.10Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| CAZ | H15 | sing | 1.09Å | 1.10Å | |
| CAZ | H16 | sing | 1.09Å | 1.10Å | |
| CAZ | H17 | sing | 1.09Å | 1.10Å | |
| NAL | H18 | sing | 0.97Å | 1.00Å | |
| NAP | H19 | sing | 0.97Å | 1.00Å | |
| NAW | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAZ | CAV | NAW | 110.5° | 109.5° |
| CAZ | CAV | CAU | 107.9° | 109.5° |
| CAZ | CAV | H10 | 110.1° | 109.5° |
| CAV | CAZ | H15 | 109.5° | 109.5° |
| CAV | CAZ | H16 | 109.5° | 109.5° |
| CAV | CAZ | H17 | 109.5° | 109.5° |
| CAV | NAW | CAX | 110.7° | 111.3° |
| NAW | CAV | CAU | 107.8° | 109.3° |
| NAW | CAV | H10 | 110.9° | 109.5° |
| CAV | NAW | H20 | 109.2° | 111.0° |
| NAW | CAX | CAY | 110.2° | 109.4° |
| NAW | CAX | H11 | 109.3° | 109.5° |
| NAW | CAX | H12 | 109.3° | 109.5° |
| CAX | NAW | H20 | 109.2° | 111.0° |
| CAV | CAU | NAT | 109.9° | 108.5° |
| CAV | CAU | H8 | 109.4° | 109.6° |
| CAV | CAU | H9 | 109.3° | 109.6° |
| CAU | CAV | H10 | 109.5° | 109.5° |
| CAU | NAT | CAY | 122.7° | 118.3° |
| CAU | NAT | CAS | 116.1° | 120.9° |
| NAT | CAU | H8 | 109.4° | 109.6° |
| NAT | CAU | H9 | 109.4° | 109.7° |
| CAX | CAY | NAT | 109.7° | 108.5° |
| CAY | CAX | H11 | 109.3° | 109.5° |
| CAY | CAX | H12 | 109.3° | 109.5° |
| CAX | CAY | H13 | 109.4° | 109.7° |
| CAX | CAY | H14 | 109.4° | 109.6° |
| CAY | NAT | CAS | 121.1° | 120.8° |
| NAT | CAY | H13 | 109.4° | 109.7° |
| NAT | CAY | H14 | 109.4° | 109.6° |
| NAT | CAS | OBA | 121.3° | 120.0° |
| NAT | CAS | C2 | 119.8° | 120.0° |
| OBA | CAS | C2 | 118.8° | 120.0° |
| CAS | C2 | N1 | 120.6° | 118.6° |
| CAS | C2 | N3 | 116.5° | 118.6° |
| C2 | N1 | C6 | 118.1° | 120.5° |
| N1 | C2 | N3 | 122.9° | 122.8° |
| N1 | C6 | CAD | 118.4° | 121.9° |
| N1 | C6 | C5 | 119.9° | 118.8° |
| C6 | CAD | CAC | 117.7° | 119.6° |
| CAD | C6 | C5 | 121.7° | 119.3° |
| C6 | CAD | H3 | 121.2° | 120.2° |
| CAD | CAC | CAB | 120.1° | 121.0° |
| CAD | CAC | H2 | 120.0° | 119.5° |
| CAC | CAD | H3 | 121.2° | 120.2° |
| C2 | N3 | C4 | 119.5° | 121.4° |
| C6 | C5 | C4 | 120.1° | 118.3° |
| C6 | C5 | CAA | 120.8° | 119.7° |
| CAC | CAB | CAA | 122.3° | 120.9° |
| CAC | CAB | CL | 119.2° | 119.5° |
| CAB | CAC | H2 | 120.0° | 119.5° |
| N3 | C4 | C5 | 119.5° | 118.2° |
| N3 | C4 | NAL | 120.8° | 120.9° |
| C4 | C5 | CAA | 119.0° | 122.0° |
| C5 | C4 | NAL | 119.7° | 120.9° |
| C5 | CAA | CAB | 117.4° | 119.5° |
| C5 | CAA | H1 | 121.3° | 120.2° |
| CAA | CAB | CL | 118.5° | 119.6° |
| CAB | CAA | H1 | 121.3° | 120.2° |
| C4 | NAL | CAM | 122.8° | 120.0° |
| C4 | NAL | H18 | 118.6° | 120.0° |
| NAL | CAM | CAN | 131.1° | 125.9° |
| NAL | CAM | NAQ | 120.5° | 126.0° |
| CAM | NAL | H18 | 118.6° | 120.0° |
| CAM | CAN | CAO | 106.8° | 107.9° |
| CAN | CAM | NAQ | 108.5° | 108.1° |
| CAM | CAN | H4 | 126.6° | 126.1° |
| CAN | CAO | CAR | 128.3° | 126.1° |
| CAN | CAO | NAP | 107.9° | 107.8° |
| CAO | CAN | H4 | 126.6° | 126.0° |
| CAM | NAQ | NAP | 108.0° | 108.1° |
| CAR | CAO | NAP | 123.7° | 126.1° |
| CAO | CAR | H5 | 109.5° | 109.5° |
| CAO | CAR | H6 | 109.5° | 109.5° |
| CAO | CAR | H7 | 109.5° | 109.4° |
| CAO | NAP | NAQ | 108.8° | 108.1° |
| CAO | NAP | H19 | 125.6° | 126.0° |
| NAQ | NAP | H19 | 125.6° | 126.0° |
| H5 | CAR | H6 | 109.5° | 109.5° |
| H5 | CAR | H7 | 109.4° | 109.5° |
| H6 | CAR | H7 | 109.5° | 109.5° |
| H8 | CAU | H9 | 109.5° | 109.8° |
| H11 | CAX | H12 | 109.5° | 109.5° |
| H13 | CAY | H14 | 109.5° | 109.8° |
| H15 | CAZ | H16 | 109.4° | 109.4° |
| H15 | CAZ | H17 | 109.5° | 109.5° |
| H16 | CAZ | H17 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAZ | CAV | NAW | CAU | 117.7° | 120.0° |
| CAZ | CAV | NAW | H10 | 122.4° | 120.1° |
| CAZ | CAV | NAW | CAX | 174.5° | 176.9° |
| CAZ | CAV | CAU | H10 | 119.8° | 120.0° |
| CAZ | CAV | CAU | NAT | 169.4° | 173.8° |
| CAZ | CAV | CAU | H8 | 49.4° | 54.1° |
| CAZ | CAV | CAU | H9 | 70.5° | 66.4° |
| CAV | CAZ | H15 | H16 | 120.0° | 120.0° |
| CAV | CAZ | H15 | H17 | 120.0° | 120.1° |
| CAV | CAZ | H16 | H17 | 120.0° | 120.0° |
| CAZ | CAV | NAW | H20 | 54.3° | 52.8° |
| CAV | NAW | CAX | H20 | 120.2° | 124.2° |
| NAW | CAV | CAU | H10 | 120.8° | 120.0° |
| NAW | CAV | CAU | NAT | 50.0° | 53.8° |
| CAV | NAW | CAX | CAY | 67.2° | 63.1° |
| NAW | CAV | CAU | H8 | 70.1° | 65.9° |
| NAW | CAV | CAU | H9 | 170.1° | 173.6° |
| CAV | NAW | CAX | H11 | 53.0° | 176.9° |
| CAV | NAW | CAX | H12 | 172.7° | 56.9° |
| NAW | CAV | CAZ | H15 | 180.0° | 59.9° |
| NAW | CAV | CAZ | H16 | 60.0° | 60.1° |
| NAW | CAV | CAZ | H17 | 60.0° | 179.9° |
| CAX | NAW | CAV | CAU | 67.7° | 63.1° |
| NAW | CAX | CAY | H11 | 120.1° | 120.0° |
| NAW | CAX | CAY | H12 | 120.1° | 119.9° |
| NAW | CAX | CAY | NAT | 47.1° | 53.8° |
| CAX | NAW | CAV | H10 | 52.1° | 56.8° |
| NAW | CAX | H11 | H12 | 119.7° | 120.0° |
| NAW | CAX | CAY | H13 | 167.2° | 173.5° |
| NAW | CAX | CAY | H14 | 72.9° | 65.8° |
| CAV | CAU | NAT | H8 | 120.1° | 119.7° |
| CAV | CAU | NAT | H9 | 120.1° | 119.7° |
| CAV | CAU | NAT | CAY | 38.0° | 51.2° |
| CAV | CAU | NAT | CAS | 142.5° | 128.8° |
| CAV | CAU | H8 | H9 | 119.8° | 120.5° |
| CAU | CAV | CAZ | H15 | 62.3° | 60.0° |
| CAU | CAV | CAZ | H16 | 57.7° | 180.0° |
| CAU | CAV | CAZ | H17 | 177.7° | 60.0° |
| CAU | CAV | NAW | H20 | 172.1° | 172.7° |
| CAU | NAT | CAY | CAX | 36.1° | 51.2° |
| CAU | NAT | CAY | CAS | 179.5° | 180.0° |
| CAU | NAT | CAS | OBA | 1.4° | 175.9° |
| CAU | NAT | CAS | C2 | 178.9° | 4.1° |
| NAT | CAU | H8 | H9 | 119.8° | 120.5° |
| NAT | CAU | CAV | H10 | 70.8° | 66.1° |
| CAU | NAT | CAY | H13 | 156.2° | 170.9° |
| CAU | NAT | CAY | H14 | 83.9° | 68.5° |
| CAX | CAY | NAT | H13 | 120.1° | 119.7° |
| CAX | CAY | NAT | H14 | 120.0° | 119.7° |
| CAX | CAY | NAT | CAS | 144.4° | 128.9° |
| CAY | CAX | H11 | H12 | 119.6° | 120.1° |
| CAX | CAY | H13 | H14 | 119.9° | 120.5° |
| CAY | CAX | NAW | H20 | 172.6° | 172.7° |
| CAY | NAT | CAS | OBA | 179.1° | 4.1° |
| CAY | NAT | CAS | C2 | 1.6° | 175.9° |
| CAY | NAT | CAU | H8 | 82.1° | 68.5° |
| CAY | NAT | CAU | H9 | 158.1° | 170.9° |
| NAT | CAY | CAX | H11 | 73.0° | 173.7° |
| NAT | CAY | CAX | H12 | 167.2° | 66.2° |
| NAT | CAY | H13 | H14 | 119.9° | 120.5° |
| NAT | CAS | OBA | C2 | 177.5° | 180.0° |
| NAT | CAS | C2 | N1 | 112.0° | 43.9° |
| NAT | CAS | C2 | N3 | 69.0° | 136.4° |
| CAS | NAT | CAU | H8 | 97.5° | 111.5° |
| CAS | NAT | CAU | H9 | 22.4° | 9.1° |
| CAS | NAT | CAY | H13 | 24.3° | 9.1° |
| CAS | NAT | CAY | H14 | 95.6° | 111.5° |
| OBA | CAS | C2 | N1 | 70.5° | 136.1° |
| OBA | CAS | C2 | N3 | 108.5° | 43.6° |
| CAS | C2 | N1 | N3 | 179.0° | 179.7° |
| CAS | C2 | N1 | C6 | 178.8° | 180.0° |
| CAS | C2 | N3 | C4 | 178.4° | 179.7° |
| C2 | N1 | C6 | CAD | 179.8° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.6° |
| N1 | C6 | CAD | C5 | 179.1° | 179.9° |
| N1 | C6 | CAD | CAC | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.1° | 0.3° |
| N1 | C6 | C5 | C4 | 1.0° | 0.0° |
| N1 | C6 | C5 | CAA | 179.6° | 179.9° |
| N1 | C6 | CAD | H3 | 0.1° | 0.1° |
| C6 | CAD | CAC | H3 | 180.0° | 179.9° |
| C6 | CAD | CAC | CAB | 0.0° | 0.1° |
| CAD | C6 | C5 | C4 | 179.9° | 180.0° |
| CAD | C6 | C5 | CAA | 1.3° | 0.0° |
| C6 | CAD | CAC | H2 | 180.0° | 180.0° |
| CAC | CAD | C6 | C5 | 0.8° | 0.1° |
| CAD | CAC | CAB | H2 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 0.3° | 0.1° |
| CAD | CAC | CAB | CL | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.6° |
| C2 | N3 | C4 | NAL | 179.8° | 179.7° |
| C6 | C5 | C4 | N3 | 0.6° | 0.3° |
| C6 | C5 | C4 | CAA | 178.6° | 180.0° |
| C6 | C5 | CAA | CAB | 0.9° | 0.0° |
| C6 | C5 | C4 | NAL | 179.5° | 180.0° |
| C6 | C5 | CAA | H1 | 179.1° | 179.9° |
| C5 | C6 | CAD | H3 | 179.2° | 180.0° |
| CAC | CAB | CAA | C5 | 0.2° | 0.0° |
| CAC | CAB | CAA | CL | 179.6° | 179.9° |
| CAC | CAB | CAA | H1 | 179.8° | 179.9° |
| CAB | CAC | CAD | H3 | 180.0° | 180.0° |
| N3 | C4 | C5 | NAL | 180.0° | 179.7° |
| N3 | C4 | C5 | CAA | 179.2° | 179.6° |
| N3 | C4 | NAL | CAM | 7.7° | 0.3° |
| N3 | C4 | NAL | H18 | 172.3° | 179.7° |
| C4 | C5 | CAA | CAB | 179.6° | 180.0° |
| C5 | C4 | NAL | CAM | 172.3° | 180.0° |
| C4 | C5 | CAA | H1 | 0.4° | 0.1° |
| C5 | C4 | NAL | H18 | 7.7° | 0.1° |
| C5 | CAA | CAB | H1 | 180.0° | 179.9° |
| C5 | CAA | CAB | CL | 179.5° | 179.9° |
| CAA | C5 | C4 | NAL | 0.8° | 0.0° |
| CAA | CAB | CAC | H2 | 179.7° | 180.0° |
| CL | CAB | CAA | H1 | 0.5° | 0.1° |
| CL | CAB | CAC | H2 | 0.1° | 0.1° |
| C4 | NAL | CAM | H18 | 180.0° | 180.0° |
| C4 | NAL | CAM | CAN | 9.7° | 0.3° |
| C4 | NAL | CAM | NAQ | 171.0° | 179.9° |
| NAL | CAM | CAN | NAQ | 179.4° | 179.7° |
| NAL | CAM | CAN | CAO | 179.2° | 179.7° |
| NAL | CAM | NAQ | NAP | 179.4° | 179.7° |
| NAL | CAM | CAN | H4 | 0.7° | 0.3° |
| CAM | CAN | CAO | H4 | 180.0° | 180.0° |
| CAM | CAN | CAO | CAR | 179.9° | 180.0° |
| CAM | CAN | CAO | NAP | 0.1° | 0.0° |
| CAN | CAM | NAQ | NAP | 0.1° | 0.0° |
| CAN | CAM | NAL | H18 | 170.4° | 179.7° |
| CAO | CAN | CAM | NAQ | 0.1° | 0.0° |
| CAN | CAO | CAR | NAP | 179.7° | 180.0° |
| CAN | CAO | NAP | NAQ | 0.1° | 0.0° |
| CAN | CAO | CAR | H5 | 90.1° | 90.0° |
| CAN | CAO | CAR | H6 | 149.9° | 150.0° |
| CAN | CAO | CAR | H7 | 29.9° | 30.0° |
| CAN | CAO | NAP | H19 | 179.9° | 179.9° |
| CAM | NAQ | NAP | CAO | 0.0° | 0.0° |
| NAQ | CAM | CAN | H4 | 179.9° | 180.0° |
| NAQ | CAM | NAL | H18 | 9.0° | 0.0° |
| CAM | NAQ | NAP | H19 | 180.0° | 179.9° |
| CAR | CAO | NAP | NAQ | 179.9° | 180.0° |
| CAR | CAO | CAN | H4 | 0.1° | 0.0° |
| CAO | CAR | H5 | H6 | 120.0° | 120.0° |
| CAO | CAR | H5 | H7 | 120.0° | 120.0° |
| CAO | CAR | H6 | H7 | 120.0° | 120.0° |
| CAR | CAO | NAP | H19 | 0.1° | 0.1° |
| CAO | NAP | NAQ | H19 | 180.0° | 179.9° |
| NAP | CAO | CAN | H4 | 179.9° | 180.0° |
| NAP | CAO | CAR | H5 | 90.1° | 90.0° |
| NAP | CAO | CAR | H6 | 29.9° | 30.0° |
| NAP | CAO | CAR | H7 | 149.9° | 150.0° |
| H2 | CAC | CAD | H3 | 0.1° | 0.1° |
| H5 | CAR | H6 | H7 | 120.0° | 120.0° |
| H8 | CAU | CAV | H10 | 169.2° | 174.2° |
| H9 | CAU | CAV | H10 | 49.3° | 53.6° |
| H10 | CAV | CAZ | H15 | 57.1° | 179.9° |
| H10 | CAV | CAZ | H16 | 177.1° | 60.0° |
| H10 | CAV | CAZ | H17 | 62.9° | 60.0° |
| H10 | CAV | NAW | H20 | 68.1° | 67.3° |
| H11 | CAX | CAY | H13 | 47.0° | 66.5° |
| H11 | CAX | CAY | H14 | 166.9° | 54.1° |
| H11 | CAX | NAW | H20 | 67.2° | 52.7° |
| H12 | CAX | CAY | H13 | 72.7° | 53.6° |
| H12 | CAX | CAY | H14 | 47.2° | 174.2° |
| H12 | CAX | NAW | H20 | 52.5° | 67.3° |
| H15 | CAZ | H16 | H17 | 120.0° | 120.0° |
