8FX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAU | sing | 1.53Å | 1.52Å | |
| NAV | CAU | sing | 1.47Å | 1.43Å | |
| NAV | CAW | sing | 1.47Å | 1.45Å | |
| CAT | CAU | sing | 1.53Å | 1.52Å | |
| CAT | NAS | sing | 1.47Å | 1.44Å | |
| CAX | NAS | sing | 1.47Å | 1.44Å | |
| CAX | CAW | sing | 1.53Å | 1.53Å | |
| NAS | CAR | sing | 1.35Å | 1.43Å | |
| CAR | OAZ | doub | 1.21Å | 1.21Å | |
| CAR | C2 | sing | 1.48Å | 1.50Å | |
| 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 | 1.50Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.50Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.46Å | Aromatic |
| CAC | CAB | doub | 1.39Å | 1.33Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.32Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.47Å | 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 | NAK | sing | 1.38Å | 1.43Å | |
| CBB | CAQ | sing | 1.53Å | 1.34Å | |
| NAK | CAL | sing | 1.40Å | 1.45Å | |
| CAM | CAL | sing | 1.40Å | 1.43Å | Aromatic |
| CAM | CAN | doub | 1.35Å | 1.39Å | Aromatic |
| CAL | NAP | doub | 1.31Å | 1.37Å | Aromatic |
| CAQ | CAN | sing | 1.51Å | 1.68Å | |
| CAQ | CBC | sing | 1.53Å | 1.34Å | |
| CAN | NAO | sing | 1.35Å | 1.39Å | Aromatic |
| NAP | NAO | sing | 1.40Å | 1.40Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAM | H4 | sing | 1.08Å | 1.08Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| CAT | H6 | sing | 1.09Å | 1.10Å | |
| CAT | H7 | sing | 1.09Å | 1.10Å | |
| CAU | H8 | sing | 1.09Å | 1.10Å | |
| CAW | H9 | sing | 1.09Å | 1.10Å | |
| CAW | 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 | |
| CAY | H15 | sing | 1.09Å | 1.10Å | |
| CBB | H16 | sing | 1.09Å | 1.10Å | |
| CBB | H17 | sing | 1.09Å | 1.10Å | |
| CBC | H19 | sing | 1.09Å | 1.10Å | |
| CBC | H20 | sing | 1.09Å | 1.10Å | |
| NAK | H22 | sing | 0.97Å | 1.00Å | |
| NAO | H23 | sing | 0.97Å | 1.00Å | |
| NAV | H24 | sing | 1.01Å | 1.00Å | |
| CBB | CBC | sing | 1.53Å | 1.99Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | CAU | NAV | 110.3° | 109.5° |
| CAY | CAU | CAT | 108.1° | 109.5° |
| CAY | CAU | H8 | 108.8° | 109.5° |
| CAU | CAY | H13 | 109.5° | 109.4° |
| CAU | CAY | H14 | 109.5° | 109.4° |
| CAU | CAY | H15 | 109.5° | 109.5° |
| CAU | NAV | CAW | 110.9° | 111.3° |
| NAV | CAU | CAT | 110.6° | 109.3° |
| NAV | CAU | H8 | 110.0° | 109.5° |
| CAU | NAV | H24 | 109.1° | 111.0° |
| NAV | CAW | CAX | 110.5° | 109.3° |
| NAV | CAW | H9 | 109.2° | 109.5° |
| NAV | CAW | H10 | 109.2° | 109.5° |
| CAW | NAV | H24 | 109.1° | 111.0° |
| CAU | CAT | NAS | 110.6° | 108.5° |
| CAU | CAT | H6 | 109.2° | 109.6° |
| CAU | CAT | H7 | 109.2° | 109.6° |
| CAT | CAU | H8 | 108.9° | 109.5° |
| CAT | NAS | CAX | 121.7° | 118.2° |
| CAT | NAS | CAR | 117.7° | 120.9° |
| NAS | CAT | H6 | 109.2° | 109.7° |
| NAS | CAT | H7 | 109.2° | 109.6° |
| NAS | CAX | CAW | 107.9° | 108.5° |
| CAX | NAS | CAR | 120.6° | 120.9° |
| NAS | CAX | H11 | 109.9° | 109.6° |
| NAS | CAX | H12 | 109.9° | 109.6° |
| CAX | CAW | H9 | 109.2° | 109.5° |
| CAX | CAW | H10 | 109.2° | 109.5° |
| CAW | CAX | H11 | 109.9° | 109.6° |
| CAW | CAX | H12 | 109.9° | 109.6° |
| NAS | CAR | OAZ | 121.3° | 120.0° |
| NAS | CAR | C2 | 120.1° | 120.0° |
| OAZ | CAR | C2 | 118.6° | 120.0° |
| CAR | C2 | N1 | 118.6° | 118.6° |
| CAR | C2 | N3 | 118.8° | 118.6° |
| C2 | N1 | C6 | 119.0° | 120.4° |
| N1 | C2 | N3 | 122.5° | 122.8° |
| N1 | C6 | CAD | 118.7° | 121.9° |
| N1 | C6 | C5 | 119.3° | 118.8° |
| C6 | CAD | CAC | 119.1° | 119.6° |
| CAD | C6 | C5 | 122.0° | 119.3° |
| C6 | CAD | H3 | 120.5° | 120.2° |
| CAD | CAC | CAB | 118.6° | 121.0° |
| CAD | CAC | H2 | 120.7° | 119.5° |
| CAC | CAD | H3 | 120.4° | 120.1° |
| C2 | N3 | C4 | 119.3° | 121.4° |
| C6 | C5 | C4 | 120.5° | 118.3° |
| C6 | C5 | CAA | 119.0° | 119.6° |
| CAC | CAB | CAA | 122.0° | 120.9° |
| CAC | CAB | CL | 120.1° | 119.6° |
| CAB | CAC | H2 | 120.7° | 119.5° |
| N3 | C4 | C5 | 119.3° | 118.2° |
| N3 | C4 | NAK | 119.0° | 120.9° |
| C4 | C5 | CAA | 120.4° | 122.0° |
| C5 | C4 | NAK | 121.7° | 120.9° |
| C5 | CAA | CAB | 119.3° | 119.5° |
| C5 | CAA | H1 | 120.4° | 120.2° |
| CAA | CAB | CL | 117.9° | 119.5° |
| CAB | CAA | H1 | 120.4° | 120.3° |
| C4 | NAK | CAL | 123.9° | 120.0° |
| C4 | NAK | H22 | 118.1° | 120.0° |
| CBB | CAQ | CAN | 113.6° | 117.6° |
| CBB | CAQ | CBC | 96.0° | 60.0° |
| CBB | CAQ | H5 | 113.5° | 117.5° |
| CAQ | CBB | H16 | 122.6° | 117.5° |
| CAQ | CBB | H17 | 122.6° | 117.6° |
| CAQ | CBB | CBC | 42.0° | 60.0° |
| NAK | CAL | CAM | 130.5° | 126.0° |
| NAK | CAL | NAP | 122.0° | 126.0° |
| CAL | NAK | H22 | 118.1° | 120.0° |
| CAL | CAM | CAN | 108.0° | 107.8° |
| CAM | CAL | NAP | 107.4° | 108.0° |
| CAL | CAM | H4 | 126.0° | 126.0° |
| CAM | CAN | CAQ | 128.7° | 126.0° |
| CAM | CAN | NAO | 107.5° | 107.9° |
| CAN | CAM | H4 | 126.0° | 126.1° |
| CAL | NAP | NAO | 108.5° | 108.2° |
| CAN | CAQ | CBC | 111.4° | 117.5° |
| CAQ | CAN | NAO | 123.9° | 126.0° |
| CAN | CAQ | H5 | 108.6° | 115.6° |
| CBC | CAQ | H5 | 113.4° | 117.4° |
| CAQ | CBC | H19 | 122.6° | 117.5° |
| CAQ | CBC | H20 | 122.6° | 117.5° |
| CAQ | CBC | CBB | 42.0° | 60.0° |
| CAN | NAO | NAP | 108.7° | 108.0° |
| CAN | NAO | H23 | 125.7° | 126.0° |
| NAP | NAO | H23 | 125.7° | 126.0° |
| H6 | CAT | H7 | 109.5° | 109.8° |
| H9 | CAW | H10 | 109.5° | 109.5° |
| H11 | CAX | H12 | 109.4° | 109.8° |
| H13 | CAY | H14 | 109.5° | 109.5° |
| H13 | CAY | H15 | 109.5° | 109.4° |
| H14 | CAY | H15 | 109.4° | 109.5° |
| H16 | CBB | H17 | 109.5° | 115.5° |
| H16 | CBB | CBC | 122.6° | 117.5° |
| H17 | CBB | CBC | 122.6° | 117.5° |
| H19 | CBC | H20 | 109.5° | 115.5° |
| H19 | CBC | CBB | 122.6° | 117.5° |
| H20 | CBC | CBB | 122.6° | 117.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | CAU | NAV | CAT | 119.6° | 120.0° |
| CAY | CAU | NAV | H8 | 120.1° | 120.1° |
| CAY | CAU | NAV | CAW | 179.0° | 176.9° |
| CAY | CAU | CAT | H8 | 118.1° | 120.1° |
| CAY | CAU | CAT | NAS | 168.8° | 173.8° |
| CAY | CAU | CAT | H6 | 48.6° | 54.1° |
| CAY | CAU | CAT | H7 | 71.0° | 66.5° |
| CAU | CAY | H13 | H14 | 120.0° | 119.9° |
| CAU | CAY | H13 | H15 | 120.0° | 120.0° |
| CAU | CAY | H14 | H15 | 120.0° | 120.1° |
| CAY | CAU | NAV | H24 | 58.9° | 52.8° |
| CAU | NAV | CAW | H24 | 120.2° | 124.2° |
| NAV | CAU | CAT | H8 | 121.0° | 119.9° |
| NAV | CAU | CAT | NAS | 47.9° | 53.8° |
| CAU | NAV | CAW | CAX | 64.2° | 63.1° |
| NAV | CAU | CAT | H6 | 72.3° | 65.9° |
| NAV | CAU | CAT | H7 | 168.1° | 173.5° |
| CAU | NAV | CAW | H9 | 55.9° | 176.9° |
| CAU | NAV | CAW | H10 | 175.6° | 56.9° |
| NAV | CAU | CAY | H13 | 180.0° | 59.9° |
| NAV | CAU | CAY | H14 | 60.0° | 60.1° |
| NAV | CAU | CAY | H15 | 60.0° | 179.8° |
| CAW | NAV | CAU | CAT | 61.4° | 63.1° |
| NAV | CAW | CAX | NAS | 51.7° | 53.8° |
| NAV | CAW | CAX | H9 | 120.2° | 119.9° |
| NAV | CAW | CAX | H10 | 120.2° | 120.0° |
| CAW | NAV | CAU | H8 | 58.9° | 56.8° |
| NAV | CAW | H9 | H10 | 119.5° | 120.0° |
| NAV | CAW | CAX | H11 | 68.0° | 173.5° |
| NAV | CAW | CAX | H12 | 171.5° | 65.9° |
| CAU | CAT | NAS | H6 | 120.1° | 119.7° |
| CAU | CAT | NAS | H7 | 120.2° | 119.7° |
| CAU | CAT | NAS | CAX | 42.4° | 51.2° |
| CAU | CAT | NAS | CAR | 137.0° | 128.9° |
| CAU | CAT | H6 | H7 | 119.5° | 120.5° |
| CAT | CAU | CAY | H13 | 58.9° | 60.0° |
| CAT | CAU | CAY | H14 | 61.1° | 180.0° |
| CAT | CAU | CAY | H15 | 179.0° | 60.0° |
| CAT | CAU | NAV | H24 | 178.4° | 172.7° |
| CAT | NAS | CAX | CAR | 179.4° | 179.9° |
| CAT | NAS | CAX | CAW | 43.9° | 51.2° |
| CAT | NAS | CAR | OAZ | 0.4° | 175.8° |
| CAT | NAS | CAR | C2 | 179.8° | 4.2° |
| NAS | CAT | H6 | H7 | 119.5° | 120.5° |
| NAS | CAT | CAU | H8 | 73.1° | 66.1° |
| CAT | NAS | CAX | H11 | 75.9° | 170.9° |
| CAT | NAS | CAX | H12 | 163.6° | 68.5° |
| NAS | CAX | CAW | H11 | 119.8° | 119.7° |
| NAS | CAX | CAW | H12 | 119.8° | 119.7° |
| CAX | NAS | CAR | OAZ | 179.8° | 4.1° |
| CAX | NAS | CAR | C2 | 0.4° | 175.9° |
| CAX | NAS | CAT | H6 | 77.7° | 68.5° |
| CAX | NAS | CAT | H7 | 162.6° | 170.9° |
| NAS | CAX | CAW | H9 | 68.4° | 173.8° |
| NAS | CAX | CAW | H10 | 171.9° | 66.1° |
| NAS | CAX | H11 | H12 | 120.7° | 120.5° |
| CAW | CAX | NAS | CAR | 135.5° | 128.8° |
| CAX | CAW | H9 | H10 | 119.5° | 120.1° |
| CAW | CAX | H11 | H12 | 120.7° | 120.5° |
| CAX | CAW | NAV | H24 | 175.6° | 172.7° |
| NAS | CAR | OAZ | C2 | 179.8° | 180.0° |
| NAS | CAR | C2 | N1 | 112.5° | 43.9° |
| NAS | CAR | C2 | N3 | 69.1° | 136.4° |
| CAR | NAS | CAT | H6 | 102.9° | 111.4° |
| CAR | NAS | CAT | H7 | 16.8° | 9.2° |
| CAR | NAS | CAX | H11 | 104.7° | 9.2° |
| CAR | NAS | CAX | H12 | 15.7° | 111.4° |
| OAZ | CAR | C2 | N1 | 67.4° | 136.1° |
| OAZ | CAR | C2 | N3 | 111.1° | 43.6° |
| CAR | C2 | N1 | N3 | 178.4° | 179.7° |
| CAR | C2 | N1 | C6 | 179.1° | 180.0° |
| CAR | C2 | N3 | C4 | 178.8° | 179.7° |
| C2 | N1 | C6 | CAD | 179.4° | 180.0° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| N1 | C2 | N3 | C4 | 0.4° | 0.6° |
| N1 | C6 | CAD | C5 | 180.0° | 180.0° |
| N1 | C6 | CAD | CAC | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 0.8° | 0.3° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | CAA | 179.6° | 180.0° |
| N1 | C6 | CAD | H3 | 0.0° | 0.1° |
| C6 | CAD | CAC | H3 | 180.0° | 179.9° |
| C6 | CAD | CAC | CAB | 0.2° | 0.1° |
| CAD | C6 | C5 | C4 | 179.8° | 180.0° |
| CAD | C6 | C5 | CAA | 0.4° | 0.0° |
| C6 | CAD | CAC | H2 | 179.7° | 180.0° |
| CAC | CAD | C6 | C5 | 0.0° | 0.1° |
| CAD | CAC | CAB | H2 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 0.8° | 0.1° |
| CAD | CAC | CAB | CL | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.0° | 0.5° |
| C2 | N3 | C4 | NAK | 179.7° | 179.8° |
| C6 | C5 | C4 | N3 | 0.1° | 0.2° |
| C6 | C5 | C4 | CAA | 179.4° | 180.0° |
| C6 | C5 | CAA | CAB | 0.9° | 0.0° |
| C6 | C5 | C4 | NAK | 179.8° | 180.0° |
| C6 | C5 | CAA | H1 | 179.1° | 180.0° |
| C5 | C6 | CAD | H3 | 180.0° | 180.0° |
| CAC | CAB | CAA | C5 | 1.2° | 0.0° |
| CAC | CAB | CAA | CL | 179.2° | 180.0° |
| CAC | CAB | CAA | H1 | 178.8° | 180.0° |
| CAB | CAC | CAD | H3 | 179.8° | 180.0° |
| N3 | C4 | C5 | NAK | 179.7° | 179.7° |
| N3 | C4 | C5 | CAA | 179.3° | 179.7° |
| N3 | C4 | NAK | CAL | 7.0° | 0.3° |
| N3 | C4 | NAK | H22 | 173.0° | 179.8° |
| C4 | C5 | CAA | CAB | 179.7° | 180.0° |
| C5 | C4 | NAK | CAL | 173.3° | 180.0° |
| C4 | C5 | CAA | H1 | 0.3° | 0.0° |
| C5 | C4 | NAK | H22 | 6.7° | 0.0° |
| C5 | CAA | CAB | H1 | 180.0° | 180.0° |
| C5 | CAA | CAB | CL | 179.6° | 180.0° |
| CAA | C5 | C4 | NAK | 0.4° | 0.0° |
| CAA | CAB | CAC | H2 | 179.2° | 180.0° |
| CL | CAB | CAA | H1 | 0.4° | 0.0° |
| CL | CAB | CAC | H2 | 0.1° | 0.1° |
| C4 | NAK | CAL | H22 | 180.0° | 179.9° |
| C4 | NAK | CAL | CAM | 9.5° | 0.2° |
| C4 | NAK | CAL | NAP | 171.8° | 179.9° |
| CBB | CAQ | CAN | CAM | 36.9° | 146.3° |
| CBB | CAQ | CAN | CBC | 107.1° | 68.6° |
| CBB | CAQ | CAN | H5 | 127.2° | 145.7° |
| CBB | CAQ | CBC | H5 | 118.8° | 107.5° |
| CBB | CAQ | CAN | NAO | 143.2° | 33.6° |
| CAQ | CBB | H16 | H17 | 154.8° | 145.7° |
| CAQ | CBB | H16 | CBC | 50.3° | 68.6° |
| CAQ | CBB | H17 | CBC | 50.3° | 68.7° |
| CAQ | CBB | CBC | H19 | 104.2° | 107.5° |
| CAQ | CBB | CBC | H20 | 104.2° | 107.5° |
| NAK | CAL | CAM | NAP | 178.9° | 179.7° |
| NAK | CAL | CAM | CAN | 179.1° | 179.8° |
| NAK | CAL | NAP | NAO | 178.8° | 179.8° |
| NAK | CAL | CAM | H4 | 0.9° | 0.2° |
| CAL | CAM | CAN | H4 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAQ | 179.4° | 180.0° |
| CAL | CAM | CAN | NAO | 0.6° | 0.0° |
| CAM | CAL | NAP | NAO | 0.2° | 0.0° |
| CAM | CAL | NAK | H22 | 170.5° | 179.7° |
| CAN | CAM | CAL | NAP | 0.2° | 0.0° |
| CAM | CAN | CAQ | NAO | 179.9° | 180.0° |
| CAM | CAN | CAQ | CBC | 70.3° | 145.0° |
| CAM | CAN | NAO | NAP | 0.7° | 0.0° |
| CAM | CAN | CAQ | H5 | 164.1° | 0.6° |
| CAM | CAN | NAO | H23 | 179.3° | 180.0° |
| CAL | NAP | NAO | CAN | 0.5° | 0.0° |
| NAP | CAL | CAM | H4 | 179.8° | 180.0° |
| NAP | CAL | NAK | H22 | 8.2° | 0.0° |
| CAL | NAP | NAO | H23 | 179.4° | 179.9° |
| CAN | CAQ | CBC | H5 | 122.9° | 145.0° |
| CAQ | CAN | NAO | NAP | 179.3° | 180.0° |
| CAQ | CAN | CAM | H4 | 0.6° | 0.0° |
| CAN | CAQ | CBB | H16 | 12.3° | 0.0° |
| CAN | CAQ | CBB | H17 | 139.2° | 145.0° |
| CAN | CAQ | CBC | H19 | 137.5° | 145.0° |
| CAN | CAQ | CBC | H20 | 14.1° | 0.0° |
| CAQ | CAN | NAO | H23 | 0.8° | 0.1° |
| CBC | CAQ | CAN | NAO | 109.7° | 35.0° |
| CAQ | CBC | H19 | H20 | 154.9° | 145.6° |
| CAN | NAO | NAP | H23 | 180.0° | 180.0° |
| NAO | CAN | CAM | H4 | 179.4° | 180.0° |
| NAO | CAN | CAQ | H5 | 16.0° | 179.3° |
| H2 | CAC | CAD | H3 | 0.2° | 0.1° |
| H5 | CAQ | CBB | H16 | 137.0° | 145.1° |
| H5 | CAQ | CBB | H17 | 14.6° | 0.1° |
| H5 | CAQ | CBC | H19 | 14.7° | 0.0° |
| H5 | CAQ | CBC | H20 | 137.0° | 145.0° |
| H6 | CAT | CAU | H8 | 166.7° | 174.2° |
| H7 | CAT | CAU | H8 | 47.0° | 53.5° |
| H8 | CAU | CAY | H13 | 59.2° | 180.0° |
| H8 | CAU | CAY | H14 | 179.2° | 60.0° |
| H8 | CAU | CAY | H15 | 60.9° | 60.1° |
| H8 | CAU | NAV | H24 | 61.3° | 67.3° |
| H9 | CAW | CAX | H11 | 171.8° | 66.6° |
| H9 | CAW | CAX | H12 | 51.3° | 54.0° |
| H9 | CAW | NAV | H24 | 64.3° | 52.8° |
| H10 | CAW | CAX | H11 | 52.1° | 53.5° |
| H10 | CAW | CAX | H12 | 68.3° | 174.1° |
| H10 | CAW | NAV | H24 | 55.4° | 67.3° |
| H13 | CAY | H14 | H15 | 120.0° | 120.0° |
| H16 | CBB | H17 | CBC | 154.9° | 145.7° |
| H16 | CBB | CBC | H19 | 151.6° | 145.0° |
| H16 | CBB | CBC | H20 | 0.0° | 0.0° |
| H17 | CBB | CBC | H19 | 0.0° | 0.0° |
| H17 | CBB | CBC | H20 | 151.6° | 145.0° |
| H19 | CBC | H20 | CBB | 154.8° | 145.7° |
