8FR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAY | CAV | sing | 1.47Å | 1.45Å | |
| CAV | CAW | sing | 1.53Å | 1.49Å | |
| CAV | CAU | sing | 1.53Å | 1.53Å | |
| CAW | CAX | sing | 1.53Å | 1.52Å | |
| CAX | NAS | sing | 1.47Å | 1.43Å | |
| CAU | CAT | sing | 1.53Å | 1.54Å | |
| NAS | CAT | sing | 1.47Å | 1.43Å | |
| NAS | C2 | sing | 1.38Å | 1.46Å | |
| N3 | C2 | doub | 1.32Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.36Å | Aromatic |
| CAD | C4 | doub | 1.40Å | 1.41Å | Aromatic |
| CAD | CAC | sing | 1.36Å | 1.41Å | Aromatic |
| C2 | N1 | sing | 1.33Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.38Å | Aromatic |
| CAC | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | CAA | doub | 1.40Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.37Å | 1.42Å | Aromatic |
| CAB | CL | sing | 1.74Å | 1.73Å | |
| C6 | NAL | sing | 1.38Å | 1.41Å | |
| NAL | CAM | sing | 1.40Å | 1.46Å | |
| CAN | CAM | doub | 1.35Å | 1.40Å | Aromatic |
| CAN | NAO | sing | 1.37Å | 1.40Å | Aromatic |
| CAM | NAQ | sing | 1.34Å | 1.39Å | Aromatic |
| NAO | CAR | sing | 1.47Å | 1.42Å | |
| NAO | CAP | sing | 1.35Å | 1.39Å | Aromatic |
| NAQ | CAP | doub | 1.31Å | 1.40Å | 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 | |
| CAP | H5 | sing | 1.08Å | 1.08Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAT | H9 | sing | 1.09Å | 1.10Å | |
| CAT | H10 | sing | 1.09Å | 1.10Å | |
| CAU | H11 | sing | 1.09Å | 1.10Å | |
| CAU | H12 | sing | 1.09Å | 1.10Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAW | H14 | sing | 1.09Å | 1.10Å | |
| CAW | H15 | sing | 1.09Å | 1.10Å | |
| CAX | H16 | sing | 1.09Å | 1.10Å | |
| CAX | H17 | sing | 1.09Å | 1.10Å | |
| NAL | H18 | sing | 0.97Å | 1.00Å | |
| NAY | H19 | sing | 1.01Å | 1.00Å | |
| NAY | H20 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAY | CAV | CAW | 105.8° | 109.5° |
| NAY | CAV | CAU | 111.6° | 109.5° |
| NAY | CAV | H13 | 109.4° | 109.6° |
| CAV | NAY | H19 | 109.5° | 111.0° |
| CAV | NAY | H20 | 109.5° | 111.0° |
| CAW | CAV | CAU | 113.0° | 109.2° |
| CAV | CAW | CAX | 109.1° | 109.2° |
| CAW | CAV | H13 | 108.8° | 109.5° |
| CAV | CAW | H14 | 109.6° | 109.5° |
| CAV | CAW | H15 | 109.6° | 109.5° |
| CAV | CAU | CAT | 115.9° | 109.3° |
| CAV | CAU | H11 | 107.8° | 109.6° |
| CAV | CAU | H12 | 107.8° | 109.5° |
| CAU | CAV | H13 | 108.3° | 109.5° |
| CAW | CAX | NAS | 115.3° | 109.5° |
| CAX | CAW | H14 | 109.6° | 109.5° |
| CAX | CAW | H15 | 109.6° | 109.5° |
| CAW | CAX | H16 | 108.0° | 109.5° |
| CAW | CAX | H17 | 108.0° | 109.5° |
| CAX | NAS | CAT | 120.1° | 111.2° |
| CAX | NAS | C2 | 114.3° | 111.0° |
| NAS | CAX | H16 | 108.0° | 109.4° |
| NAS | CAX | H17 | 108.0° | 109.5° |
| CAU | CAT | NAS | 112.5° | 109.5° |
| CAU | CAT | H9 | 108.7° | 109.4° |
| CAU | CAT | H10 | 108.7° | 109.4° |
| CAT | CAU | H11 | 107.8° | 109.5° |
| CAT | CAU | H12 | 107.8° | 109.5° |
| CAT | NAS | C2 | 125.6° | 111.0° |
| NAS | CAT | H9 | 108.7° | 109.5° |
| NAS | CAT | H10 | 108.7° | 109.5° |
| NAS | C2 | N3 | 119.8° | 118.7° |
| NAS | C2 | N1 | 120.3° | 118.6° |
| C2 | N3 | C4 | 122.1° | 120.4° |
| N3 | C2 | N1 | 119.7° | 122.7° |
| N3 | C4 | CAD | 121.5° | 121.9° |
| N3 | C4 | C5 | 118.6° | 118.8° |
| C4 | CAD | CAC | 120.3° | 119.6° |
| CAD | C4 | C5 | 119.9° | 119.4° |
| C4 | CAD | H3 | 119.9° | 120.2° |
| CAD | CAC | CAB | 118.8° | 121.0° |
| CAD | CAC | H2 | 120.6° | 119.5° |
| CAC | CAD | H3 | 119.8° | 120.2° |
| C2 | N1 | C6 | 120.0° | 121.4° |
| C4 | C5 | C6 | 118.2° | 118.3° |
| C4 | C5 | CAA | 121.3° | 119.6° |
| CAC | CAB | CAA | 121.4° | 120.9° |
| CAC | CAB | CL | 120.0° | 119.6° |
| CAB | CAC | H2 | 120.6° | 119.5° |
| N1 | C6 | C5 | 121.4° | 118.3° |
| N1 | C6 | NAL | 123.2° | 120.8° |
| C6 | C5 | CAA | 120.6° | 122.1° |
| C5 | C6 | NAL | 115.4° | 120.8° |
| C5 | CAA | CAB | 118.3° | 119.5° |
| C5 | CAA | H1 | 120.8° | 120.2° |
| CAA | CAB | CL | 118.6° | 119.6° |
| CAB | CAA | H1 | 120.8° | 120.3° |
| C6 | NAL | CAM | 123.7° | 120.0° |
| C6 | NAL | H18 | 118.1° | 119.9° |
| NAL | CAM | CAN | 127.5° | 126.0° |
| NAL | CAM | NAQ | 124.3° | 126.1° |
| CAM | NAL | H18 | 118.2° | 120.0° |
| CAM | CAN | NAO | 107.9° | 106.7° |
| CAN | CAM | NAQ | 108.2° | 107.9° |
| CAM | CAN | H4 | 126.0° | 126.7° |
| CAN | NAO | CAR | 126.7° | 126.4° |
| CAN | NAO | CAP | 107.6° | 107.2° |
| NAO | CAN | H4 | 126.0° | 126.6° |
| CAM | NAQ | CAP | 107.5° | 109.3° |
| CAR | NAO | CAP | 125.7° | 126.3° |
| NAO | CAR | H6 | 109.5° | 109.5° |
| NAO | CAR | H7 | 109.4° | 109.5° |
| NAO | CAR | H8 | 109.5° | 109.5° |
| NAO | CAP | NAQ | 108.6° | 108.8° |
| NAO | CAP | H5 | 125.7° | 125.6° |
| NAQ | CAP | H5 | 125.7° | 125.5° |
| H6 | CAR | H7 | 109.5° | 109.5° |
| H6 | CAR | H8 | 109.4° | 109.5° |
| H7 | CAR | H8 | 109.5° | 109.4° |
| H9 | CAT | H10 | 109.5° | 109.5° |
| H11 | CAU | H12 | 109.5° | 109.5° |
| H14 | CAW | H15 | 109.5° | 109.6° |
| H16 | CAX | H17 | 109.5° | 109.4° |
| H19 | NAY | H20 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAY | CAV | CAW | CAU | 122.4° | 119.9° |
| NAY | CAV | CAW | H13 | 117.4° | 120.2° |
| NAY | CAV | CAU | H13 | 120.4° | 120.2° |
| NAY | CAV | CAW | CAX | 175.8° | 177.6° |
| NAY | CAV | CAU | CAT | 132.7° | 177.5° |
| NAY | CAV | CAU | H11 | 106.4° | 57.6° |
| NAY | CAV | CAU | H12 | 11.7° | 62.5° |
| NAY | CAV | CAW | H14 | 55.9° | 57.6° |
| NAY | CAV | CAW | H15 | 64.3° | 62.5° |
| CAV | NAY | H19 | H20 | 120.0° | 123.9° |
| CAW | CAV | CAU | H13 | 120.5° | 119.9° |
| CAV | CAW | CAX | H14 | 119.9° | 119.9° |
| CAV | CAW | CAX | H15 | 119.9° | 119.9° |
| CAV | CAW | CAX | NAS | 49.8° | 59.2° |
| CAW | CAV | CAU | CAT | 13.6° | 57.7° |
| CAW | CAV | CAU | H11 | 134.5° | 62.3° |
| CAW | CAV | CAU | H12 | 107.4° | 177.6° |
| CAV | CAW | H14 | H15 | 120.2° | 120.1° |
| CAV | CAW | CAX | H16 | 170.7° | 179.2° |
| CAV | CAW | CAX | H17 | 71.0° | 60.8° |
| CAW | CAV | NAY | H19 | 180.0° | 180.0° |
| CAW | CAV | NAY | H20 | 60.0° | 56.1° |
| CAU | CAV | CAW | CAX | 53.4° | 57.7° |
| CAV | CAU | CAT | H11 | 120.9° | 120.0° |
| CAV | CAU | CAT | H12 | 120.9° | 120.0° |
| CAV | CAU | CAT | NAS | 32.8° | 59.2° |
| CAV | CAU | CAT | H9 | 153.2° | 60.8° |
| CAV | CAU | CAT | H10 | 87.7° | 179.2° |
| CAV | CAU | H11 | H12 | 117.1° | 120.1° |
| CAU | CAV | CAW | H14 | 66.5° | 62.2° |
| CAU | CAV | CAW | H15 | 173.3° | 177.6° |
| CAU | CAV | NAY | H19 | 56.7° | 60.3° |
| CAU | CAV | NAY | H20 | 176.7° | 175.7° |
| CAW | CAX | NAS | H16 | 120.8° | 120.0° |
| CAW | CAX | NAS | H17 | 120.9° | 120.1° |
| CAW | CAX | NAS | CAT | 2.2° | 61.8° |
| CAW | CAX | NAS | C2 | 177.4° | 174.2° |
| CAX | CAW | CAV | H13 | 66.8° | 62.2° |
| CAX | CAW | H14 | H15 | 120.2° | 120.1° |
| CAW | CAX | H16 | H17 | 117.4° | 120.0° |
| CAX | NAS | CAT | CAU | 39.1° | 61.7° |
| CAX | NAS | CAT | C2 | 179.5° | 124.1° |
| CAX | NAS | C2 | N3 | 84.9° | 0.1° |
| CAX | NAS | C2 | N1 | 90.2° | 180.0° |
| CAX | NAS | CAT | H9 | 159.6° | 58.3° |
| CAX | NAS | CAT | H10 | 81.3° | 178.3° |
| NAS | CAX | CAW | H14 | 70.1° | 60.7° |
| NAS | CAX | CAW | H15 | 169.7° | 179.1° |
| NAS | CAX | H16 | H17 | 117.3° | 119.9° |
| CAU | CAT | NAS | H9 | 120.4° | 120.0° |
| CAU | CAT | NAS | H10 | 120.4° | 120.0° |
| CAU | CAT | NAS | C2 | 141.4° | 174.2° |
| CAU | CAT | H9 | H10 | 118.6° | 119.9° |
| CAT | CAU | H11 | H12 | 117.1° | 120.0° |
| CAT | CAU | CAV | H13 | 106.9° | 62.3° |
| CAT | NAS | C2 | N3 | 95.6° | 124.2° |
| CAT | NAS | C2 | N1 | 89.3° | 55.8° |
| NAS | CAT | H9 | H10 | 118.6° | 120.0° |
| NAS | CAT | CAU | H11 | 88.2° | 60.8° |
| NAS | CAT | CAU | H12 | 153.7° | 179.2° |
| CAT | NAS | CAX | H16 | 123.1° | 178.2° |
| CAT | NAS | CAX | H17 | 118.7° | 58.3° |
| NAS | C2 | N3 | N1 | 175.1° | 180.0° |
| NAS | C2 | N3 | C4 | 177.5° | 180.0° |
| NAS | C2 | N1 | C6 | 178.1° | 180.0° |
| C2 | NAS | CAT | H9 | 20.9° | 65.8° |
| C2 | NAS | CAT | H10 | 98.2° | 54.2° |
| C2 | NAS | CAX | H16 | 56.5° | 54.1° |
| C2 | NAS | CAX | H17 | 61.8° | 65.8° |
| C2 | N3 | C4 | CAD | 178.4° | 179.8° |
| C2 | N3 | C4 | C5 | 1.0° | 0.1° |
| N3 | C2 | N1 | C6 | 3.0° | 0.0° |
| N3 | C4 | CAD | C5 | 179.4° | 179.7° |
| N3 | C4 | CAD | CAC | 179.6° | 179.8° |
| C4 | N3 | C2 | N1 | 2.3° | 0.0° |
| N3 | C4 | C5 | C6 | 0.3° | 0.1° |
| N3 | C4 | C5 | CAA | 179.8° | 180.0° |
| N3 | C4 | CAD | H3 | 0.5° | 0.2° |
| C4 | CAD | CAC | H3 | 180.0° | 179.6° |
| C4 | CAD | CAC | CAB | 0.1° | 0.5° |
| CAD | C4 | C5 | C6 | 179.1° | 179.8° |
| CAD | C4 | C5 | CAA | 0.3° | 0.3° |
| C4 | CAD | CAC | H2 | 179.9° | 179.7° |
| CAC | CAD | C4 | C5 | 0.2° | 0.5° |
| CAD | CAC | CAB | H2 | 180.0° | 179.8° |
| CAD | CAC | CAB | CAA | 0.2° | 0.2° |
| CAD | CAC | CAB | CL | 179.0° | 179.7° |
| C2 | N1 | C6 | C5 | 2.4° | 0.0° |
| C2 | N1 | C6 | NAL | 178.6° | 180.0° |
| C4 | C5 | C6 | N1 | 1.0° | 0.1° |
| C4 | C5 | C6 | CAA | 179.4° | 180.0° |
| C4 | C5 | CAA | CAB | 0.2° | 0.0° |
| C4 | C5 | C6 | NAL | 179.9° | 180.0° |
| C4 | C5 | CAA | H1 | 179.8° | 180.0° |
| C5 | C4 | CAD | H3 | 179.8° | 180.0° |
| CAC | CAB | CAA | C5 | 0.0° | 0.0° |
| CAC | CAB | CAA | CL | 179.2° | 180.0° |
| CAC | CAB | CAA | H1 | 180.0° | 180.0° |
| CAB | CAC | CAD | H3 | 179.9° | 180.0° |
| N1 | C6 | C5 | NAL | 179.1° | 179.9° |
| N1 | C6 | C5 | CAA | 179.5° | 180.0° |
| N1 | C6 | NAL | CAM | 13.2° | 0.1° |
| N1 | C6 | NAL | H18 | 166.8° | 180.0° |
| C6 | C5 | CAA | CAB | 179.2° | 180.0° |
| C5 | C6 | NAL | CAM | 167.7° | 180.0° |
| C6 | C5 | CAA | H1 | 0.8° | 0.0° |
| C5 | C6 | NAL | H18 | 12.3° | 0.1° |
| C5 | CAA | CAB | H1 | 180.0° | 180.0° |
| C5 | CAA | CAB | CL | 179.2° | 180.0° |
| CAA | C5 | C6 | NAL | 0.5° | 0.1° |
| CAA | CAB | CAC | H2 | 179.8° | 180.0° |
| CL | CAB | CAA | H1 | 0.8° | 0.0° |
| CL | CAB | CAC | H2 | 1.0° | 0.1° |
| C6 | NAL | CAM | H18 | 180.0° | 179.9° |
| C6 | NAL | CAM | CAN | 5.3° | 0.2° |
| C6 | NAL | CAM | NAQ | 175.3° | 180.0° |
| NAL | CAM | CAN | NAQ | 179.4° | 179.8° |
| NAL | CAM | CAN | NAO | 179.5° | 179.8° |
| NAL | CAM | NAQ | CAP | 179.6° | 179.8° |
| NAL | CAM | CAN | H4 | 0.5° | 0.3° |
| CAM | CAN | NAO | H4 | 180.0° | 179.9° |
| CAM | CAN | NAO | CAR | 179.9° | 180.0° |
| CAM | CAN | NAO | CAP | 0.7° | 0.0° |
| CAN | CAM | NAQ | CAP | 1.0° | 0.0° |
| CAN | CAM | NAL | H18 | 174.7° | 179.7° |
| NAO | CAN | CAM | NAQ | 1.1° | 0.0° |
| CAN | NAO | CAR | CAP | 179.0° | 179.9° |
| CAN | NAO | CAP | NAQ | 0.1° | 0.1° |
| CAN | NAO | CAP | H5 | 179.9° | 180.0° |
| CAN | NAO | CAR | H6 | 180.0° | 90.0° |
| CAN | NAO | CAR | H7 | 60.0° | 149.9° |
| CAN | NAO | CAR | H8 | 60.0° | 30.0° |
| CAM | NAQ | CAP | NAO | 0.5° | 0.0° |
| NAQ | CAM | CAN | H4 | 178.9° | 180.0° |
| CAM | NAQ | CAP | H5 | 179.5° | 180.0° |
| NAQ | CAM | NAL | H18 | 4.7° | 0.0° |
| CAR | NAO | CAP | NAQ | 179.3° | 180.0° |
| CAR | NAO | CAN | H4 | 0.1° | 0.1° |
| CAR | NAO | CAP | H5 | 0.7° | 0.0° |
| NAO | CAR | H6 | H7 | 120.0° | 120.0° |
| NAO | CAR | H6 | H8 | 120.0° | 120.0° |
| NAO | CAR | H7 | H8 | 120.0° | 120.0° |
| NAO | CAP | NAQ | H5 | 180.0° | 180.0° |
| CAP | NAO | CAN | H4 | 179.3° | 180.0° |
| CAP | NAO | CAR | H6 | 1.0° | 90.1° |
| CAP | NAO | CAR | H7 | 119.0° | 30.0° |
| CAP | NAO | CAR | H8 | 121.0° | 149.9° |
| H2 | CAC | CAD | H3 | 0.1° | 0.2° |
| H6 | CAR | H7 | H8 | 120.0° | 120.0° |
| H9 | CAT | CAU | H11 | 32.3° | 179.2° |
| H9 | CAT | CAU | H12 | 85.8° | 59.2° |
| H10 | CAT | CAU | H11 | 151.4° | 59.2° |
| H10 | CAT | CAU | H12 | 33.2° | 60.8° |
| H11 | CAU | CAV | H13 | 14.0° | 177.8° |
| H12 | CAU | CAV | H13 | 132.1° | 57.7° |
| H13 | CAV | CAW | H14 | 173.3° | 177.9° |
| H13 | CAV | CAW | H15 | 53.1° | 57.7° |
| H13 | CAV | NAY | H19 | 63.0° | 59.8° |
| H13 | CAV | NAY | H20 | 57.0° | 64.1° |
| H14 | CAW | CAX | H16 | 50.7° | 59.3° |
| H14 | CAW | CAX | H17 | 169.0° | 179.3° |
| H15 | CAW | CAX | H16 | 69.4° | 60.9° |
| H15 | CAW | CAX | H17 | 48.9° | 59.1° |
