K8T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | NAV | sing | 1.46Å | 1.45Å | |
| CAN | CAM | sing | 1.53Å | 1.52Å | |
| OAY | CAT | doub | 1.22Å | 1.24Å | |
| NAV | C | sing | 1.35Å | 1.34Å | |
| OAZ | CAU | sing | 1.36Å | 1.38Å | |
| CAK | CAJ | doub | 1.38Å | 1.41Å | Aromatic |
| CAK | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| O | C | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.58Å | |
| CAM | CAJ | sing | 1.51Å | 1.45Å | |
| CAT | CAU | sing | 1.41Å | 1.42Å | |
| CAT | N | sing | 1.35Å | 1.36Å | |
| CAJ | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAL | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CA | N | sing | 1.47Å | 1.42Å | |
| CAU | CAO | doub | 1.37Å | 1.42Å | |
| N | CAS | sing | 1.36Å | 1.44Å | |
| CAE | CAD | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.40Å | Aromatic |
| CAI | CAH | doub | 1.38Å | 1.38Å | Aromatic |
| CAG | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.48Å | 1.42Å | |
| CAO | CAR | sing | 1.40Å | 1.41Å | |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAA | doub | 1.39Å | 1.39Å | Aromatic |
| CAS | CAR | doub | 1.35Å | 1.40Å | |
| CAC | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| OAZ | H3 | sing | 0.97Å | 0.95Å | |
| CAO | H4 | sing | 1.08Å | 1.08Å | |
| CAR | H5 | sing | 1.08Å | 1.08Å | |
| CAS | H6 | sing | 1.08Å | 1.08Å | |
| NAV | H7 | sing | 0.97Å | 1.00Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAM | H10 | sing | 1.09Å | 1.10Å | |
| CAM | H11 | sing | 1.09Å | 1.10Å | |
| CAK | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.08Å | 1.08Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAH | H15 | sing | 1.08Å | 1.08Å | |
| CAA | H16 | sing | 1.08Å | 1.08Å | |
| CAB | H17 | sing | 1.08Å | 1.08Å | |
| CAC | H18 | sing | 1.08Å | 1.08Å | |
| CAD | H19 | sing | 1.08Å | 1.08Å | |
| CAE | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAV | CAN | CAM | 98.5° | 109.5° |
| CAN | NAV | C | 128.0° | 120.0° |
| CAN | NAV | H7 | 116.0° | 120.0° |
| NAV | CAN | H8 | 112.1° | 109.5° |
| NAV | CAN | H9 | 112.2° | 109.5° |
| CAN | CAM | CAJ | 116.4° | 109.5° |
| CAM | CAN | H8 | 112.2° | 109.5° |
| CAM | CAN | H9 | 112.1° | 109.5° |
| CAN | CAM | H10 | 107.7° | 109.4° |
| CAN | CAM | H11 | 107.7° | 109.5° |
| OAY | CAT | CAU | 121.6° | 120.1° |
| OAY | CAT | N | 119.3° | 120.0° |
| NAV | C | O | 124.1° | 120.0° |
| NAV | C | CA | 106.4° | 120.0° |
| C | NAV | H7 | 116.0° | 119.9° |
| OAZ | CAU | CAT | 117.8° | 120.4° |
| OAZ | CAU | CAO | 122.3° | 120.4° |
| CAU | OAZ | H3 | 109.5° | 114.0° |
| CAJ | CAK | CAL | 121.5° | 120.1° |
| CAK | CAJ | CAM | 130.1° | 119.9° |
| CAK | CAJ | CAI | 115.7° | 120.3° |
| CAJ | CAK | H12 | 119.2° | 120.0° |
| CAK | CAL | CAG | 121.4° | 119.8° |
| CAL | CAK | H12 | 119.2° | 119.9° |
| CAK | CAL | H13 | 119.3° | 120.1° |
| O | C | CA | 129.2° | 120.0° |
| C | CA | N | 120.1° | 109.5° |
| C | CA | H1 | 106.8° | 109.4° |
| C | CA | H2 | 106.7° | 109.5° |
| CAM | CAJ | CAI | 114.2° | 119.8° |
| CAJ | CAM | H10 | 107.7° | 109.5° |
| CAJ | CAM | H11 | 107.7° | 109.5° |
| CAU | CAT | N | 119.1° | 119.9° |
| CAT | CAU | CAO | 119.8° | 119.2° |
| CAT | N | CA | 120.4° | 119.6° |
| CAT | N | CAS | 121.8° | 120.8° |
| CAJ | CAI | CAH | 123.0° | 120.1° |
| CAJ | CAI | H14 | 118.5° | 120.0° |
| CAL | CAG | CAH | 116.5° | 119.8° |
| CAL | CAG | CAF | 124.7° | 120.1° |
| CAG | CAL | H13 | 119.3° | 120.1° |
| CA | N | CAS | 117.5° | 119.6° |
| N | CA | H1 | 106.7° | 109.5° |
| N | CA | H2 | 106.8° | 109.5° |
| CAU | CAO | CAR | 121.2° | 119.3° |
| CAU | CAO | H4 | 119.4° | 120.4° |
| N | CAS | CAR | 119.7° | 120.8° |
| N | CAS | H6 | 120.2° | 119.6° |
| CAD | CAE | CAF | 121.4° | 119.9° |
| CAE | CAD | CAC | 120.6° | 120.1° |
| CAE | CAD | H19 | 119.7° | 120.0° |
| CAD | CAE | H20 | 119.3° | 120.0° |
| CAE | CAF | CAG | 122.9° | 120.1° |
| CAE | CAF | CAA | 116.8° | 119.7° |
| CAF | CAE | H20 | 119.3° | 120.1° |
| CAI | CAH | CAG | 121.8° | 119.9° |
| CAH | CAI | H14 | 118.5° | 119.9° |
| CAI | CAH | H15 | 119.1° | 120.1° |
| CAH | CAG | CAF | 118.9° | 120.1° |
| CAG | CAH | H15 | 119.1° | 120.1° |
| CAG | CAF | CAA | 120.4° | 120.1° |
| CAO | CAR | CAS | 118.3° | 120.0° |
| CAR | CAO | H4 | 119.4° | 120.3° |
| CAO | CAR | H5 | 120.8° | 120.0° |
| CAD | CAC | CAB | 118.0° | 120.3° |
| CAD | CAC | H18 | 121.0° | 119.8° |
| CAC | CAD | H19 | 119.7° | 120.0° |
| CAF | CAA | CAB | 121.9° | 119.9° |
| CAF | CAA | H16 | 119.0° | 120.1° |
| CAS | CAR | H5 | 120.9° | 120.0° |
| CAR | CAS | H6 | 120.2° | 119.6° |
| CAC | CAB | CAA | 121.2° | 120.1° |
| CAC | CAB | H17 | 119.4° | 119.9° |
| CAB | CAC | H18 | 121.0° | 119.9° |
| CAB | CAA | H16 | 119.1° | 120.0° |
| CAA | CAB | H17 | 119.4° | 120.0° |
| H1 | CA | H2 | 109.5° | 109.5° |
| H8 | CAN | H9 | 109.4° | 109.4° |
| H10 | CAM | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAV | CAN | CAM | H8 | 118.2° | 120.0° |
| NAV | CAN | CAM | H9 | 118.2° | 120.0° |
| CAN | NAV | C | H7 | 180.0° | 180.0° |
| CAN | NAV | C | O | 6.0° | 0.1° |
| CAN | NAV | C | CA | 168.6° | 180.0° |
| NAV | CAN | CAM | CAJ | 72.7° | 180.0° |
| NAV | CAN | H8 | H9 | 125.1° | 120.0° |
| NAV | CAN | CAM | H10 | 166.3° | 60.0° |
| NAV | CAN | CAM | H11 | 48.3° | 60.0° |
| CAM | CAN | NAV | C | 94.4° | 180.0° |
| CAN | CAM | CAJ | CAK | 4.0° | 89.7° |
| CAN | CAM | CAJ | H10 | 121.0° | 120.0° |
| CAN | CAM | CAJ | H11 | 121.0° | 120.0° |
| CAN | CAM | CAJ | CAI | 178.8° | 90.0° |
| CAM | CAN | NAV | H7 | 85.6° | 0.0° |
| CAM | CAN | H8 | H9 | 125.1° | 120.0° |
| CAN | CAM | H10 | H11 | 116.8° | 120.0° |
| OAY | CAT | CAU | OAZ | 1.4° | 0.1° |
| OAY | CAT | CAU | N | 179.3° | 179.9° |
| OAY | CAT | N | CA | 3.4° | 0.3° |
| OAY | CAT | CAU | CAO | 178.9° | 180.0° |
| OAY | CAT | N | CAS | 177.4° | 180.0° |
| NAV | C | O | CA | 173.3° | 179.9° |
| NAV | C | CA | N | 166.0° | 180.0° |
| NAV | C | CA | H1 | 44.5° | 60.1° |
| NAV | C | CA | H2 | 72.5° | 60.0° |
| C | NAV | CAN | H8 | 147.4° | 60.0° |
| C | NAV | CAN | H9 | 23.8° | 60.0° |
| OAZ | CAU | CAT | CAO | 179.6° | 179.9° |
| OAZ | CAU | CAT | N | 177.9° | 180.0° |
| OAZ | CAU | CAO | CAR | 179.1° | 180.0° |
| OAZ | CAU | CAO | H4 | 0.9° | 0.0° |
| CAJ | CAK | CAL | H12 | 180.0° | 179.9° |
| CAK | CAJ | CAM | CAI | 177.3° | 179.7° |
| CAJ | CAK | CAL | CAG | 1.2° | 0.0° |
| CAK | CAJ | CAI | CAH | 2.6° | 0.2° |
| CAK | CAJ | CAM | H10 | 125.0° | 150.3° |
| CAK | CAJ | CAM | H11 | 117.0° | 30.3° |
| CAJ | CAK | CAL | H13 | 178.8° | 180.0° |
| CAK | CAJ | CAI | H14 | 177.4° | 179.7° |
| CAL | CAK | CAJ | CAM | 179.1° | 180.0° |
| CAL | CAK | CAJ | CAI | 1.8° | 0.3° |
| CAK | CAL | CAG | H13 | 180.0° | 180.0° |
| CAK | CAL | CAG | CAH | 1.1° | 0.2° |
| CAK | CAL | CAG | CAF | 179.0° | 180.0° |
| O | C | CA | N | 19.8° | 0.1° |
| O | C | CA | H1 | 141.3° | 120.0° |
| O | C | CA | H2 | 101.7° | 119.9° |
| O | C | NAV | H7 | 174.0° | 180.0° |
| C | CA | N | CAT | 55.7° | 89.7° |
| C | CA | N | H1 | 121.5° | 120.0° |
| C | CA | N | H2 | 121.5° | 120.0° |
| C | CA | N | CAS | 130.0° | 90.0° |
| C | CA | H1 | H2 | 115.2° | 120.0° |
| CA | C | NAV | H7 | 11.4° | 0.1° |
| CAM | CAJ | CAI | CAH | 179.7° | 180.0° |
| CAJ | CAM | CAN | H8 | 45.5° | 59.9° |
| CAJ | CAM | CAN | H9 | 169.1° | 60.0° |
| CAJ | CAM | H10 | H11 | 116.9° | 120.0° |
| CAM | CAJ | CAK | H12 | 0.9° | 0.1° |
| CAM | CAJ | CAI | H14 | 0.3° | 0.0° |
| CAU | CAT | N | CA | 177.3° | 179.8° |
| CAU | CAT | N | CAS | 3.3° | 0.1° |
| CAT | CAU | CAO | CAR | 0.5° | 0.0° |
| CAT | CAU | OAZ | H3 | 0.6° | 180.0° |
| CAT | CAU | CAO | H4 | 179.5° | 179.9° |
| CAT | N | CA | CAS | 174.3° | 179.7° |
| N | CAT | CAU | CAO | 1.8° | 0.1° |
| CAT | N | CAS | CAR | 3.5° | 0.0° |
| CAT | N | CA | H1 | 65.8° | 30.3° |
| CAT | N | CA | H2 | 177.2° | 150.3° |
| CAT | N | CAS | H6 | 176.5° | 179.7° |
| CAJ | CAI | CAH | H14 | 180.0° | 180.0° |
| CAJ | CAI | CAH | CAG | 2.7° | 0.0° |
| CAI | CAJ | CAM | H10 | 57.7° | 30.0° |
| CAI | CAJ | CAM | H11 | 60.2° | 150.0° |
| CAI | CAJ | CAK | H12 | 178.2° | 179.8° |
| CAJ | CAI | CAH | H15 | 177.3° | 180.0° |
| CAL | CAG | CAF | CAE | 23.9° | 0.2° |
| CAL | CAG | CAH | CAI | 1.8° | 0.2° |
| CAL | CAG | CAH | CAF | 180.0° | 179.8° |
| CAL | CAG | CAF | CAA | 154.9° | 180.0° |
| CAG | CAL | CAK | H12 | 178.8° | 179.9° |
| CAL | CAG | CAH | H15 | 178.2° | 179.8° |
| CA | N | CAS | CAR | 177.7° | 179.7° |
| N | CA | H1 | H2 | 115.2° | 120.0° |
| CA | N | CAS | H6 | 2.3° | 0.0° |
| CAU | CAO | CAR | H4 | 180.0° | 180.0° |
| CAU | CAO | CAR | CAS | 0.7° | 0.0° |
| CAO | CAU | OAZ | H3 | 179.7° | 0.1° |
| CAU | CAO | CAR | H5 | 179.3° | 180.0° |
| N | CAS | CAR | CAO | 2.1° | 0.0° |
| N | CAS | CAR | H6 | 180.0° | 179.7° |
| CAS | N | CA | H1 | 108.5° | 150.0° |
| CAS | N | CA | H2 | 8.6° | 30.0° |
| N | CAS | CAR | H5 | 177.9° | 180.0° |
| CAD | CAE | CAF | H20 | 180.0° | 179.5° |
| CAD | CAE | CAF | CAG | 179.3° | 179.7° |
| CAE | CAD | CAC | H19 | 180.0° | 179.8° |
| CAD | CAE | CAF | CAA | 1.9° | 0.5° |
| CAE | CAD | CAC | CAB | 0.4° | 0.3° |
| CAE | CAD | CAC | H18 | 179.6° | 179.7° |
| CAE | CAF | CAG | CAH | 156.0° | 180.0° |
| CAE | CAF | CAG | CAA | 178.8° | 179.8° |
| CAF | CAE | CAD | CAC | 0.5° | 0.5° |
| CAE | CAF | CAA | CAB | 2.4° | 0.2° |
| CAE | CAF | CAA | H16 | 177.6° | 179.8° |
| CAF | CAE | CAD | H19 | 179.5° | 179.7° |
| CAI | CAH | CAG | H15 | 180.0° | 180.0° |
| CAI | CAH | CAG | CAF | 178.2° | 179.9° |
| CAH | CAG | CAF | CAA | 25.1° | 0.2° |
| CAH | CAG | CAL | H13 | 178.9° | 179.8° |
| CAG | CAH | CAI | H14 | 177.3° | 180.0° |
| CAG | CAF | CAA | CAB | 178.7° | 180.0° |
| CAF | CAG | CAL | H13 | 1.0° | 0.0° |
| CAF | CAG | CAH | H15 | 1.8° | 0.0° |
| CAG | CAF | CAA | H16 | 1.3° | 0.0° |
| CAG | CAF | CAE | H20 | 0.7° | 0.2° |
| CAO | CAR | CAS | H5 | 180.0° | 179.9° |
| CAO | CAR | CAS | H6 | 177.9° | 179.8° |
| CAD | CAC | CAB | H18 | 180.0° | 180.0° |
| CAD | CAC | CAB | CAA | 0.1° | 0.0° |
| CAD | CAC | CAB | H17 | 179.9° | 180.0° |
| CAC | CAD | CAE | H20 | 179.5° | 180.0° |
| CAF | CAA | CAB | CAC | 1.6° | 0.0° |
| CAF | CAA | CAB | H16 | 180.0° | 180.0° |
| CAF | CAA | CAB | H17 | 178.4° | 180.0° |
| CAA | CAF | CAE | H20 | 178.1° | 180.0° |
| CAS | CAR | CAO | H4 | 179.3° | 180.0° |
| CAC | CAB | CAA | H17 | 180.0° | 180.0° |
| CAC | CAB | CAA | H16 | 178.4° | 180.0° |
| CAB | CAC | CAD | H19 | 179.6° | 180.0° |
| CAA | CAB | CAC | H18 | 179.9° | 180.0° |
| H4 | CAO | CAR | H5 | 0.7° | 0.0° |
| H5 | CAR | CAS | H6 | 2.1° | 0.3° |
| H7 | NAV | CAN | H8 | 32.6° | 120.1° |
| H7 | NAV | CAN | H9 | 156.2° | 120.0° |
| H8 | CAN | CAM | H10 | 75.5° | 180.0° |
| H8 | CAN | CAM | H11 | 166.5° | 60.0° |
| H9 | CAN | CAM | H10 | 48.1° | 60.0° |
| H9 | CAN | CAM | H11 | 69.9° | 180.0° |
| H12 | CAK | CAL | H13 | 1.2° | 0.1° |
| H14 | CAI | CAH | H15 | 2.7° | 0.0° |
| H16 | CAA | CAB | H17 | 1.6° | 0.0° |
| H17 | CAB | CAC | H18 | 0.1° | 0.0° |
| H18 | CAC | CAD | H19 | 0.4° | 0.0° |
| H19 | CAD | CAE | H20 | 0.5° | 0.2° |
