K72
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAE | sing | 1.51Å | 1.43Å | |
| CAE | CAH | doub | 1.32Å | 1.42Å | |
| CAH | NAT | sing | 1.39Å | 1.39Å | |
| CAO | NAT | sing | 1.47Å | 1.45Å | |
| CAO | CAM | sing | 1.53Å | 1.50Å | |
| NAT | CAP | sing | 1.47Å | 1.48Å | |
| CAM | CAS | sing | 1.53Å | 1.52Å | |
| CAP | CAN | sing | 1.53Å | 1.54Å | |
| CAS | CAN | sing | 1.53Å | 1.52Å | |
| CAS | CAG | sing | 1.51Å | 1.53Å | |
| CAG | CAF | doub | 1.33Å | 1.45Å | |
| CAF | CAQ | sing | 1.48Å | 1.40Å | |
| CAQ | CAJ | doub | 1.39Å | 1.38Å | Aromatic |
| CAQ | CAI | sing | 1.40Å | 1.40Å | Aromatic |
| CAJ | CAL | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAK | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| CAR | CAU | sing | 1.51Å | 1.41Å | |
| FAB | CAU | sing | 1.40Å | 1.32Å | |
| CAU | FAC | sing | 1.40Å | 1.34Å | |
| CAU | FAD | sing | 1.40Å | 1.31Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAE | H4 | sing | 1.08Å | 1.08Å | |
| CAH | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| CAO | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAS | H14 | sing | 1.09Å | 1.10Å | |
| CAG | H15 | sing | 1.08Å | 1.08Å | |
| CAF | H16 | sing | 1.08Å | 1.08Å | |
| CAI | H17 | sing | 1.08Å | 1.08Å | |
| CAK | H18 | sing | 1.08Å | 1.08Å | |
| CAL | H19 | sing | 1.08Å | 1.08Å | |
| CAJ | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAE | CAH | 121.2° | 120.0° |
| CAE | CAA | H1 | 109.5° | 109.5° |
| CAE | CAA | H2 | 109.5° | 109.5° |
| CAE | CAA | H3 | 109.5° | 109.5° |
| CAA | CAE | H4 | 119.4° | 120.0° |
| CAE | CAH | NAT | 127.1° | 120.0° |
| CAH | CAE | H4 | 119.4° | 120.0° |
| CAE | CAH | H5 | 116.4° | 120.0° |
| CAH | NAT | CAO | 107.7° | 120.6° |
| CAH | NAT | CAP | 121.5° | 120.6° |
| NAT | CAH | H5 | 116.4° | 120.0° |
| NAT | CAO | CAM | 113.7° | 108.8° |
| CAO | NAT | CAP | 115.9° | 118.8° |
| NAT | CAO | H10 | 108.4° | 109.6° |
| NAT | CAO | H11 | 108.4° | 109.6° |
| CAO | CAM | CAS | 114.0° | 109.2° |
| CAM | CAO | H10 | 108.4° | 109.6° |
| CAM | CAO | H11 | 108.4° | 109.6° |
| CAO | CAM | H12 | 108.3° | 109.5° |
| CAO | CAM | H13 | 108.3° | 109.5° |
| NAT | CAP | CAN | 108.4° | 108.8° |
| NAT | CAP | H6 | 109.7° | 109.6° |
| NAT | CAP | H7 | 109.8° | 109.5° |
| CAM | CAS | CAN | 109.7° | 109.7° |
| CAM | CAS | CAG | 101.0° | 109.4° |
| CAS | CAM | H12 | 108.3° | 109.6° |
| CAS | CAM | H13 | 108.3° | 109.5° |
| CAM | CAS | H14 | 110.0° | 109.5° |
| CAP | CAN | CAS | 108.5° | 109.3° |
| CAN | CAP | H6 | 109.8° | 109.6° |
| CAN | CAP | H7 | 109.7° | 109.6° |
| CAP | CAN | H8 | 109.7° | 109.5° |
| CAP | CAN | H9 | 109.7° | 109.5° |
| CAN | CAS | CAG | 116.1° | 109.6° |
| CAS | CAN | H8 | 109.7° | 109.5° |
| CAS | CAN | H9 | 109.7° | 109.5° |
| CAN | CAS | H14 | 109.9° | 109.2° |
| CAS | CAG | CAF | 124.2° | 120.0° |
| CAG | CAS | H14 | 109.8° | 109.4° |
| CAS | CAG | H15 | 117.9° | 120.0° |
| CAG | CAF | CAQ | 126.8° | 120.0° |
| CAF | CAG | H15 | 117.9° | 120.0° |
| CAG | CAF | H16 | 116.6° | 120.0° |
| CAF | CAQ | CAJ | 118.3° | 120.2° |
| CAF | CAQ | CAI | 123.1° | 120.1° |
| CAQ | CAF | H16 | 116.6° | 119.9° |
| CAJ | CAQ | CAI | 118.5° | 119.7° |
| CAQ | CAJ | CAL | 121.3° | 119.8° |
| CAQ | CAJ | H20 | 119.4° | 120.1° |
| CAQ | CAI | CAK | 120.7° | 119.8° |
| CAQ | CAI | H17 | 119.6° | 120.1° |
| CAJ | CAL | CAR | 120.6° | 120.2° |
| CAJ | CAL | H19 | 119.7° | 119.9° |
| CAL | CAJ | H20 | 119.3° | 120.0° |
| CAI | CAK | CAR | 120.5° | 120.2° |
| CAK | CAI | H17 | 119.7° | 120.1° |
| CAI | CAK | H18 | 119.8° | 119.9° |
| CAL | CAR | CAK | 118.4° | 120.3° |
| CAL | CAR | CAU | 118.9° | 119.9° |
| CAR | CAL | H19 | 119.7° | 119.9° |
| CAK | CAR | CAU | 122.7° | 119.8° |
| CAR | CAK | H18 | 119.7° | 120.0° |
| CAR | CAU | FAB | 108.9° | 109.5° |
| CAR | CAU | FAC | 114.0° | 109.5° |
| CAR | CAU | FAD | 111.8° | 109.5° |
| FAB | CAU | FAC | 108.6° | 109.5° |
| FAB | CAU | FAD | 106.2° | 109.4° |
| FAC | CAU | FAD | 107.1° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.4° | 109.5° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H6 | CAP | H7 | 109.5° | 109.7° |
| H8 | CAN | H9 | 109.4° | 109.5° |
| H10 | CAO | H11 | 109.5° | 109.7° |
| H12 | CAM | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAE | CAH | H4 | 180.0° | 180.0° |
| CAA | CAE | CAH | NAT | 172.7° | 175.0° |
| CAE | CAA | H1 | H2 | 120.0° | 120.0° |
| CAE | CAA | H1 | H3 | 120.0° | 120.0° |
| CAE | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAE | CAH | H5 | 7.3° | 4.9° |
| CAE | CAH | NAT | H5 | 180.0° | 179.9° |
| CAE | CAH | NAT | CAO | 157.7° | 5.3° |
| CAE | CAH | NAT | CAP | 20.6° | 174.5° |
| CAH | CAE | CAA | H1 | 180.0° | 180.0° |
| CAH | CAE | CAA | H2 | 60.0° | 60.0° |
| CAH | CAE | CAA | H3 | 60.0° | 60.0° |
| CAH | NAT | CAO | CAP | 139.8° | 179.8° |
| CAH | NAT | CAO | CAM | 172.9° | 126.3° |
| CAH | NAT | CAP | CAN | 169.8° | 126.3° |
| NAT | CAH | CAE | H4 | 7.4° | 5.0° |
| CAH | NAT | CAP | H6 | 49.9° | 6.5° |
| CAH | NAT | CAP | H7 | 70.4° | 113.9° |
| CAH | NAT | CAO | H10 | 66.5° | 113.8° |
| CAH | NAT | CAO | H11 | 52.3° | 6.6° |
| NAT | CAO | CAM | H10 | 120.6° | 119.8° |
| NAT | CAO | CAM | H11 | 120.6° | 119.8° |
| NAT | CAO | CAM | CAS | 43.6° | 54.5° |
| CAO | NAT | CAP | CAN | 56.3° | 53.8° |
| CAO | NAT | CAH | H5 | 22.3° | 174.8° |
| CAO | NAT | CAP | H6 | 176.1° | 173.7° |
| CAO | NAT | CAP | H7 | 63.5° | 65.9° |
| NAT | CAO | H10 | H11 | 118.1° | 120.4° |
| NAT | CAO | CAM | H12 | 164.3° | 174.6° |
| NAT | CAO | CAM | H13 | 77.0° | 65.3° |
| CAM | CAO | NAT | CAP | 47.3° | 53.9° |
| CAO | CAM | CAS | H12 | 120.7° | 120.0° |
| CAO | CAM | CAS | H13 | 120.7° | 119.9° |
| CAO | CAM | CAS | CAN | 50.8° | 61.1° |
| CAO | CAM | CAS | CAG | 173.8° | 178.6° |
| CAM | CAO | H10 | H11 | 118.1° | 120.3° |
| CAO | CAM | H12 | H13 | 117.9° | 120.1° |
| CAO | CAM | CAS | H14 | 70.2° | 58.7° |
| NAT | CAP | CAN | H6 | 119.8° | 119.9° |
| NAT | CAP | CAN | H7 | 119.8° | 119.8° |
| NAT | CAP | CAN | CAS | 61.5° | 54.6° |
| CAP | NAT | CAH | H5 | 159.4° | 5.4° |
| NAT | CAP | H6 | H7 | 120.5° | 120.3° |
| NAT | CAP | CAN | H8 | 58.4° | 65.3° |
| NAT | CAP | CAN | H9 | 178.6° | 174.6° |
| CAP | NAT | CAO | H10 | 73.3° | 66.0° |
| CAP | NAT | CAO | H11 | 167.9° | 173.6° |
| CAM | CAS | CAN | CAP | 59.6° | 61.1° |
| CAM | CAS | CAN | CAG | 113.7° | 120.2° |
| CAM | CAS | CAN | H14 | 121.0° | 120.0° |
| CAM | CAS | CAG | H14 | 116.1° | 119.9° |
| CAM | CAS | CAG | CAF | 101.9° | 120.0° |
| CAM | CAS | CAN | H8 | 60.3° | 58.8° |
| CAM | CAS | CAN | H9 | 179.4° | 178.9° |
| CAS | CAM | CAO | H10 | 77.0° | 65.2° |
| CAS | CAM | CAO | H11 | 164.2° | 174.3° |
| CAS | CAM | H12 | H13 | 117.9° | 120.1° |
| CAM | CAS | CAG | H15 | 78.1° | 60.0° |
| CAP | CAN | CAS | H8 | 119.9° | 119.9° |
| CAP | CAN | CAS | H9 | 119.9° | 120.0° |
| CAP | CAN | CAS | CAG | 173.3° | 178.7° |
| CAN | CAP | H6 | H7 | 120.5° | 120.3° |
| CAP | CAN | H8 | H9 | 120.4° | 120.1° |
| CAP | CAN | CAS | H14 | 61.5° | 58.8° |
| CAN | CAS | CAG | H14 | 125.3° | 119.7° |
| CAN | CAS | CAG | CAF | 139.6° | 119.7° |
| CAS | CAN | CAP | H6 | 178.6° | 174.5° |
| CAS | CAN | CAP | H7 | 58.3° | 65.2° |
| CAS | CAN | H8 | H9 | 120.4° | 120.1° |
| CAN | CAS | CAM | H12 | 171.4° | 178.9° |
| CAN | CAS | CAM | H13 | 69.9° | 58.8° |
| CAN | CAS | CAG | H15 | 40.5° | 60.3° |
| CAS | CAG | CAF | H15 | 180.0° | 180.0° |
| CAS | CAG | CAF | CAQ | 172.7° | 180.0° |
| CAG | CAS | CAN | H8 | 53.4° | 61.4° |
| CAG | CAS | CAN | H9 | 66.9° | 58.7° |
| CAG | CAS | CAM | H12 | 65.5° | 58.6° |
| CAG | CAS | CAM | H13 | 53.2° | 61.5° |
| CAS | CAG | CAF | H16 | 7.3° | 0.0° |
| CAG | CAF | CAQ | H16 | 180.0° | 180.0° |
| CAG | CAF | CAQ | CAJ | 174.7° | 180.0° |
| CAG | CAF | CAQ | CAI | 1.9° | 0.3° |
| CAF | CAG | CAS | H14 | 14.2° | 0.1° |
| CAF | CAQ | CAJ | CAI | 176.8° | 179.7° |
| CAF | CAQ | CAJ | CAL | 177.9° | 179.7° |
| CAF | CAQ | CAI | CAK | 177.8° | 180.0° |
| CAQ | CAF | CAG | H15 | 7.3° | 0.0° |
| CAF | CAQ | CAI | H17 | 2.3° | 0.0° |
| CAF | CAQ | CAJ | H20 | 2.1° | 0.0° |
| CAQ | CAJ | CAL | H20 | 180.0° | 179.7° |
| CAJ | CAQ | CAI | CAK | 1.1° | 0.3° |
| CAQ | CAJ | CAL | CAR | 0.3° | 0.6° |
| CAJ | CAQ | CAF | H16 | 5.2° | 0.0° |
| CAJ | CAQ | CAI | H17 | 178.9° | 179.7° |
| CAQ | CAJ | CAL | H19 | 179.7° | 179.7° |
| CAI | CAQ | CAJ | CAL | 1.1° | 0.6° |
| CAQ | CAI | CAK | H17 | 180.0° | 180.0° |
| CAQ | CAI | CAK | CAR | 0.3° | 0.0° |
| CAI | CAQ | CAF | H16 | 178.1° | 179.7° |
| CAQ | CAI | CAK | H18 | 179.6° | 180.0° |
| CAI | CAQ | CAJ | H20 | 179.0° | 179.7° |
| CAJ | CAL | CAR | H19 | 180.0° | 179.7° |
| CAJ | CAL | CAR | CAK | 0.4° | 0.2° |
| CAJ | CAL | CAR | CAU | 179.8° | 179.7° |
| CAI | CAK | CAR | CAL | 0.4° | 0.1° |
| CAI | CAK | CAR | H18 | 180.0° | 180.0° |
| CAI | CAK | CAR | CAU | 179.7° | 180.0° |
| CAL | CAR | CAK | CAU | 179.3° | 179.9° |
| CAL | CAR | CAU | FAB | 42.4° | 150.0° |
| CAL | CAR | CAU | FAC | 163.7° | 90.0° |
| CAL | CAR | CAU | FAD | 74.6° | 30.1° |
| CAL | CAR | CAK | H18 | 179.6° | 180.0° |
| CAR | CAL | CAJ | H20 | 179.7° | 179.8° |
| CAK | CAR | CAU | FAB | 136.9° | 30.1° |
| CAK | CAR | CAU | FAC | 15.5° | 90.0° |
| CAK | CAR | CAU | FAD | 106.1° | 150.0° |
| CAR | CAK | CAI | H17 | 179.7° | 179.9° |
| CAK | CAR | CAL | H19 | 179.6° | 179.9° |
| CAR | CAU | FAB | FAC | 124.6° | 120.1° |
| CAR | CAU | FAB | FAD | 120.5° | 120.0° |
| CAR | CAU | FAC | FAD | 124.2° | 120.0° |
| CAU | CAR | CAK | H18 | 0.3° | 0.0° |
| CAU | CAR | CAL | H19 | 0.2° | 0.0° |
| FAB | CAU | FAC | FAD | 114.3° | 119.9° |
| H1 | CAA | H2 | H3 | 120.0° | 120.0° |
| H1 | CAA | CAE | H4 | 0.0° | 0.0° |
| H2 | CAA | CAE | H4 | 120.0° | 120.0° |
| H3 | CAA | CAE | H4 | 120.0° | 120.0° |
| H4 | CAE | CAH | H5 | 172.7° | 175.1° |
| H6 | CAP | CAN | H8 | 61.5° | 54.5° |
| H6 | CAP | CAN | H9 | 58.8° | 65.6° |
| H7 | CAP | CAN | H8 | 178.2° | 174.9° |
| H7 | CAP | CAN | H9 | 61.6° | 54.8° |
| H8 | CAN | CAS | H14 | 178.6° | 178.8° |
| H9 | CAN | CAS | H14 | 58.4° | 61.1° |
| H10 | CAO | CAM | H12 | 43.7° | 54.8° |
| H10 | CAO | CAM | H13 | 162.3° | 174.9° |
| H11 | CAO | CAM | H12 | 75.1° | 65.6° |
| H11 | CAO | CAM | H13 | 43.6° | 54.5° |
| H12 | CAM | CAS | H14 | 50.4° | 61.3° |
| H13 | CAM | CAS | H14 | 169.1° | 178.6° |
| H14 | CAS | CAG | H15 | 165.8° | 179.9° |
| H15 | CAG | CAF | H16 | 172.7° | NaN° |
| H17 | CAI | CAK | H18 | 0.3° | 0.0° |
| H19 | CAL | CAJ | H20 | 0.3° | 0.1° |
