E80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAM | CAK | sing | 1.53Å | 1.52Å | |
| CAK | CAL | sing | 1.53Å | 1.53Å | |
| CAK | CAJ | sing | 1.53Å | 1.53Å | |
| OAZ | CAX | doub | 1.22Å | 1.25Å | |
| CAJ | OAU | sing | 1.43Å | 1.42Å | |
| CAX | OAY | sing | 1.35Å | 1.25Å | |
| CAX | CAS | sing | 1.47Å | 1.39Å | |
| CAR | CAS | doub | 1.40Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.37Å | 1.39Å | Aromatic |
| OAU | CAB | sing | 1.36Å | 1.36Å | |
| CAS | CAT | sing | 1.40Å | 1.39Å | Aromatic |
| CAI | CAG | sing | 1.53Å | 1.54Å | |
| CAQ | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.39Å | 1.40Å | Aromatic |
| CAT | NAW | doub | 1.32Å | 1.40Å | Aromatic |
| CAC | CAD | sing | 1.39Å | 1.40Å | Aromatic |
| CAG | CAH | sing | 1.53Å | 1.54Å | |
| CAG | CAA | sing | 1.51Å | 1.41Å | |
| CAA | CAF | doub | 1.38Å | 1.39Å | Aromatic |
| CAP | NAW | sing | 1.33Å | 1.34Å | Aromatic |
| CAP | NAV | sing | 1.39Å | 1.34Å | |
| CAD | NAV | sing | 1.40Å | 1.34Å | |
| CAD | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| NAV | CAN | sing | 1.46Å | 1.47Å | |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAF | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.09Å | 1.10Å | |
| CAH | H7 | sing | 1.09Å | 1.10Å | |
| CAI | H8 | sing | 1.09Å | 1.10Å | |
| CAI | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAJ | H11 | sing | 1.09Å | 1.10Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAK | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| CAL | H15 | sing | 1.09Å | 1.10Å | |
| CAL | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H17 | sing | 1.09Å | 1.10Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAM | H19 | sing | 1.09Å | 1.10Å | |
| CAN | H20 | sing | 1.09Å | 1.10Å | |
| CAN | H21 | sing | 1.09Å | 1.10Å | |
| CAO | H22 | sing | 1.09Å | 1.10Å | |
| CAO | H23 | sing | 1.09Å | 1.10Å | |
| CAO | H24 | sing | 1.09Å | 1.10Å | |
| CAQ | H25 | sing | 1.08Å | 1.08Å | |
| CAR | H26 | sing | 1.08Å | 1.08Å | |
| CAT | H27 | sing | 1.08Å | 1.08Å | |
| OAY | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAM | CAK | CAL | 108.7° | 109.4° |
| CAM | CAK | CAJ | 109.5° | 109.4° |
| CAM | CAK | H13 | 109.8° | 109.4° |
| CAK | CAM | H17 | 109.5° | 109.5° |
| CAK | CAM | H18 | 109.5° | 109.5° |
| CAK | CAM | H19 | 109.5° | 109.5° |
| CAL | CAK | CAJ | 109.4° | 109.5° |
| CAL | CAK | H13 | 109.7° | 109.5° |
| CAK | CAL | H14 | 109.5° | 109.5° |
| CAK | CAL | H15 | 109.5° | 109.4° |
| CAK | CAL | H16 | 109.5° | 109.5° |
| CAK | CAJ | OAU | 107.5° | 109.5° |
| CAK | CAJ | H11 | 110.0° | 109.5° |
| CAK | CAJ | H12 | 109.9° | 109.5° |
| CAJ | CAK | H13 | 109.7° | 109.5° |
| OAZ | CAX | OAY | 120.1° | 120.0° |
| OAZ | CAX | CAS | 120.1° | 120.0° |
| CAJ | OAU | CAB | 114.6° | 117.0° |
| OAU | CAJ | H11 | 109.9° | 109.4° |
| OAU | CAJ | H12 | 110.0° | 109.5° |
| OAY | CAX | CAS | 119.8° | 120.0° |
| CAX | OAY | H28 | 109.5° | 117.0° |
| CAX | CAS | CAR | 120.4° | 120.5° |
| CAX | CAS | CAT | 120.1° | 120.5° |
| CAS | CAR | CAQ | 119.7° | 118.5° |
| CAR | CAS | CAT | 119.5° | 119.0° |
| CAS | CAR | H26 | 120.2° | 120.7° |
| CAR | CAQ | CAP | 120.4° | 119.4° |
| CAR | CAQ | H25 | 119.8° | 120.2° |
| CAQ | CAR | H26 | 120.1° | 120.8° |
| OAU | CAB | CAC | 121.8° | 120.0° |
| OAU | CAB | CAA | 117.4° | 120.0° |
| CAS | CAT | NAW | 119.4° | 120.6° |
| CAS | CAT | H27 | 120.3° | 119.8° |
| CAI | CAG | CAH | 110.8° | 109.5° |
| CAI | CAG | CAA | 112.3° | 109.4° |
| CAI | CAG | H4 | 106.7° | 109.5° |
| CAG | CAI | H8 | 109.5° | 109.5° |
| CAG | CAI | H9 | 109.5° | 109.4° |
| CAG | CAI | H10 | 109.5° | 109.5° |
| CAQ | CAP | NAW | 119.6° | 120.9° |
| CAQ | CAP | NAV | 123.0° | 119.5° |
| CAP | CAQ | H25 | 119.8° | 120.4° |
| CAC | CAB | CAA | 120.8° | 120.0° |
| CAB | CAC | CAD | 120.1° | 119.9° |
| CAB | CAC | H1 | 119.9° | 120.1° |
| CAB | CAA | CAG | 124.5° | 120.0° |
| CAB | CAA | CAF | 118.3° | 120.1° |
| CAT | NAW | CAP | 121.4° | 121.6° |
| NAW | CAT | H27 | 120.3° | 119.7° |
| CAC | CAD | NAV | 123.3° | 120.0° |
| CAC | CAD | CAE | 119.0° | 119.9° |
| CAD | CAC | H1 | 120.0° | 120.0° |
| CAH | CAG | CAA | 111.9° | 109.5° |
| CAH | CAG | H4 | 106.7° | 109.5° |
| CAG | CAH | H5 | 109.5° | 109.4° |
| CAG | CAH | H6 | 109.5° | 109.4° |
| CAG | CAH | H7 | 109.5° | 109.4° |
| CAG | CAA | CAF | 117.2° | 120.0° |
| CAA | CAG | H4 | 108.2° | 109.5° |
| CAA | CAF | CAE | 121.1° | 120.1° |
| CAA | CAF | H3 | 119.4° | 120.0° |
| NAW | CAP | NAV | 117.5° | 119.6° |
| CAP | NAV | CAD | 120.6° | 120.0° |
| CAP | NAV | CAN | 119.7° | 120.0° |
| NAV | CAD | CAE | 117.7° | 120.1° |
| CAD | NAV | CAN | 119.7° | 120.0° |
| CAD | CAE | CAF | 120.6° | 120.1° |
| CAD | CAE | H2 | 119.7° | 120.0° |
| NAV | CAN | CAO | 109.5° | 109.5° |
| NAV | CAN | H20 | 109.5° | 109.5° |
| NAV | CAN | H21 | 109.5° | 109.5° |
| CAF | CAE | H2 | 119.7° | 119.9° |
| CAE | CAF | H3 | 119.5° | 119.9° |
| CAO | CAN | H20 | 109.5° | 109.4° |
| CAO | CAN | H21 | 109.5° | 109.5° |
| CAN | CAO | H22 | 109.5° | 109.5° |
| CAN | CAO | H23 | 109.5° | 109.5° |
| CAN | CAO | H24 | 109.5° | 109.5° |
| H5 | CAH | H6 | 109.4° | 109.5° |
| H5 | CAH | H7 | 109.4° | 109.5° |
| H6 | CAH | H7 | 109.5° | 109.5° |
| H8 | CAI | H9 | 109.4° | 109.5° |
| H8 | CAI | H10 | 109.5° | 109.5° |
| H9 | CAI | H10 | 109.5° | 109.5° |
| H11 | CAJ | H12 | 109.5° | 109.5° |
| H14 | CAL | H15 | 109.5° | 109.5° |
| H14 | CAL | H16 | 109.4° | 109.5° |
| H15 | CAL | H16 | 109.5° | 109.4° |
| H17 | CAM | H18 | 109.5° | 109.5° |
| H17 | CAM | H19 | 109.4° | 109.5° |
| H18 | CAM | H19 | 109.5° | 109.4° |
| H20 | CAN | H21 | 109.5° | 109.5° |
| H22 | CAO | H23 | 109.4° | 109.5° |
| H22 | CAO | H24 | 109.5° | 109.5° |
| H23 | CAO | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAM | CAK | CAL | CAJ | 119.6° | 119.9° |
| CAM | CAK | CAL | H13 | 120.1° | 120.0° |
| CAM | CAK | CAJ | H13 | 120.6° | 120.0° |
| CAM | CAK | CAJ | OAU | 176.2° | 65.0° |
| CAM | CAK | CAJ | H11 | 64.2° | 55.0° |
| CAM | CAK | CAJ | H12 | 56.5° | 175.0° |
| CAM | CAK | CAL | H14 | 180.0° | 60.0° |
| CAM | CAK | CAL | H15 | 60.0° | 60.0° |
| CAM | CAK | CAL | H16 | 60.0° | 180.0° |
| CAK | CAM | H17 | H18 | 120.0° | 120.0° |
| CAK | CAM | H17 | H19 | 120.0° | 120.0° |
| CAK | CAM | H18 | H19 | 120.0° | 120.0° |
| CAL | CAK | CAJ | H13 | 120.4° | 120.1° |
| CAL | CAK | CAJ | OAU | 57.1° | 175.1° |
| CAL | CAK | CAJ | H11 | 176.8° | 65.0° |
| CAL | CAK | CAJ | H12 | 62.6° | 55.1° |
| CAK | CAL | H14 | H15 | 120.0° | 120.0° |
| CAK | CAL | H14 | H16 | 120.0° | 120.0° |
| CAK | CAL | H15 | H16 | 120.0° | 120.0° |
| CAL | CAK | CAM | H17 | 180.0° | 59.9° |
| CAL | CAK | CAM | H18 | 60.0° | 180.0° |
| CAL | CAK | CAM | H19 | 60.0° | 60.1° |
| CAK | CAJ | OAU | H11 | 119.7° | 120.1° |
| CAK | CAJ | OAU | H12 | 119.7° | 120.0° |
| CAK | CAJ | OAU | CAB | 172.3° | 180.0° |
| CAK | CAJ | H11 | H12 | 120.9° | 120.0° |
| CAJ | CAK | CAL | H14 | 60.4° | 60.0° |
| CAJ | CAK | CAL | H15 | 59.6° | 180.0° |
| CAJ | CAK | CAL | H16 | 179.6° | 60.1° |
| CAJ | CAK | CAM | H17 | 60.5° | 60.0° |
| CAJ | CAK | CAM | H18 | 179.5° | 60.0° |
| CAJ | CAK | CAM | H19 | 59.5° | 180.0° |
| OAZ | CAX | OAY | CAS | 179.7° | 179.9° |
| OAZ | CAX | CAS | CAR | 7.2° | 0.1° |
| OAZ | CAX | CAS | CAT | 172.9° | 180.0° |
| OAZ | CAX | OAY | H28 | 0.0° | 0.1° |
| CAJ | OAU | CAB | CAC | 27.6° | 0.0° |
| CAJ | OAU | CAB | CAA | 152.8° | 180.0° |
| OAU | CAJ | H11 | H12 | 120.9° | 119.9° |
| OAU | CAJ | CAK | H13 | 63.3° | 55.0° |
| OAY | CAX | CAS | CAR | 172.5° | 180.0° |
| OAY | CAX | CAS | CAT | 7.3° | 0.1° |
| CAX | CAS | CAR | CAT | 179.9° | 179.9° |
| CAX | CAS | CAR | CAQ | 179.9° | 180.0° |
| CAX | CAS | CAT | NAW | 179.9° | 180.0° |
| CAX | CAS | CAR | H26 | 0.1° | 0.1° |
| CAX | CAS | CAT | H27 | 0.1° | 0.0° |
| CAS | CAX | OAY | H28 | 179.8° | 180.0° |
| CAS | CAR | CAQ | H26 | 180.0° | 179.9° |
| CAS | CAR | CAQ | CAP | 0.8° | 0.1° |
| CAR | CAS | CAT | NAW | 0.0° | 0.1° |
| CAS | CAR | CAQ | H25 | 179.2° | 180.0° |
| CAR | CAS | CAT | H27 | 180.0° | 180.0° |
| CAQ | CAR | CAS | CAT | 0.3° | 0.1° |
| CAR | CAQ | CAP | H25 | 180.0° | 180.0° |
| CAR | CAQ | CAP | NAW | 1.0° | 0.0° |
| CAR | CAQ | CAP | NAV | 179.8° | 179.7° |
| OAU | CAB | CAC | CAA | 179.6° | 180.0° |
| OAU | CAB | CAC | CAD | 179.3° | 180.0° |
| OAU | CAB | CAA | CAG | 0.1° | 0.2° |
| OAU | CAB | CAA | CAF | 179.9° | 180.0° |
| OAU | CAB | CAC | H1 | 0.7° | 0.0° |
| CAB | OAU | CAJ | H11 | 52.6° | 60.0° |
| CAB | OAU | CAJ | H12 | 68.0° | 60.0° |
| CAS | CAT | NAW | H27 | 180.0° | 180.0° |
| CAS | CAT | NAW | CAP | 0.3° | 0.0° |
| CAT | CAS | CAR | H26 | 179.8° | 180.0° |
| CAI | CAG | CAA | CAB | 63.7° | 119.8° |
| CAI | CAG | CAH | CAA | 126.1° | 120.0° |
| CAI | CAG | CAH | H4 | 115.7° | 120.0° |
| CAI | CAG | CAA | H4 | 117.5° | 120.0° |
| CAI | CAG | CAA | CAF | 116.2° | 60.0° |
| CAI | CAG | CAH | H5 | 180.0° | 60.0° |
| CAI | CAG | CAH | H6 | 60.0° | 60.0° |
| CAI | CAG | CAH | H7 | 60.0° | 180.0° |
| CAG | CAI | H8 | H9 | 120.0° | 120.0° |
| CAG | CAI | H8 | H10 | 120.0° | 120.0° |
| CAG | CAI | H9 | H10 | 120.0° | 120.0° |
| CAQ | CAP | NAW | CAT | 0.8° | 0.0° |
| CAQ | CAP | NAW | NAV | 178.8° | 179.7° |
| CAQ | CAP | NAV | CAD | 12.9° | 95.0° |
| CAQ | CAP | NAV | CAN | 165.2° | 85.0° |
| CAP | CAQ | CAR | H26 | 179.3° | 180.0° |
| CAB | CAC | CAD | H1 | 180.0° | 180.0° |
| CAC | CAB | CAA | CAG | 179.8° | 179.7° |
| CAC | CAB | CAA | CAF | 0.3° | 0.1° |
| CAB | CAC | CAD | NAV | 179.0° | 180.0° |
| CAB | CAC | CAD | CAE | 1.7° | 0.0° |
| CAA | CAB | CAC | CAD | 1.1° | 0.0° |
| CAB | CAA | CAG | CAH | 61.6° | 120.2° |
| CAB | CAA | CAG | CAF | 180.0° | 179.8° |
| CAB | CAA | CAF | CAE | 0.2° | 0.0° |
| CAA | CAB | CAC | H1 | 179.0° | 179.9° |
| CAB | CAA | CAF | H3 | 179.8° | 179.9° |
| CAB | CAA | CAG | H4 | 178.8° | 0.2° |
| CAT | NAW | CAP | NAV | 179.6° | 179.7° |
| CAC | CAD | NAV | CAP | 63.6° | 5.5° |
| CAC | CAD | NAV | CAE | 177.3° | 180.0° |
| CAC | CAD | NAV | CAN | 118.3° | 174.5° |
| CAC | CAD | CAE | CAF | 1.6° | 0.0° |
| CAC | CAD | CAE | H2 | 178.4° | 180.0° |
| CAH | CAG | CAA | H4 | 117.2° | 120.0° |
| CAH | CAG | CAA | CAF | 118.5° | 60.0° |
| CAG | CAH | H5 | H6 | 120.0° | 119.9° |
| CAG | CAH | H5 | H7 | 120.0° | 120.0° |
| CAG | CAH | H6 | H7 | 120.0° | 120.0° |
| CAH | CAG | CAI | H8 | 180.0° | 60.0° |
| CAH | CAG | CAI | H9 | 60.0° | 180.0° |
| CAH | CAG | CAI | H10 | 60.0° | 60.0° |
| CAG | CAA | CAF | CAE | 179.9° | 179.8° |
| CAG | CAA | CAF | H3 | 0.2° | 0.3° |
| CAA | CAG | CAH | H5 | 53.9° | 60.0° |
| CAA | CAG | CAH | H6 | 66.1° | 179.9° |
| CAA | CAG | CAH | H7 | 173.9° | 60.0° |
| CAA | CAG | CAI | H8 | 54.1° | 60.0° |
| CAA | CAG | CAI | H9 | 174.1° | 60.0° |
| CAA | CAG | CAI | H10 | 65.9° | 180.0° |
| CAA | CAF | CAE | CAD | 0.9° | 0.0° |
| CAA | CAF | CAE | H3 | 180.0° | 180.0° |
| CAA | CAF | CAE | H2 | 179.1° | 180.0° |
| CAF | CAA | CAG | H4 | 1.2° | 180.0° |
| NAW | CAP | NAV | CAD | 168.4° | 84.7° |
| NAW | CAP | NAV | CAN | 13.6° | 95.3° |
| NAW | CAP | CAQ | H25 | 179.0° | 180.0° |
| CAP | NAW | CAT | H27 | 179.7° | 180.0° |
| CAP | NAV | CAD | CAN | 178.1° | 180.0° |
| CAP | NAV | CAD | CAE | 119.0° | 174.5° |
| CAP | NAV | CAN | CAO | 98.4° | 90.0° |
| CAP | NAV | CAN | H20 | 141.6° | 150.0° |
| CAP | NAV | CAN | H21 | 21.6° | 30.0° |
| NAV | CAP | CAQ | H25 | 0.2° | 0.3° |
| NAV | CAD | CAE | CAF | 179.1° | 180.0° |
| CAD | NAV | CAN | CAO | 83.5° | 90.0° |
| NAV | CAD | CAC | H1 | 1.0° | 0.0° |
| NAV | CAD | CAE | H2 | 0.9° | 0.0° |
| CAD | NAV | CAN | H20 | 36.5° | 30.0° |
| CAD | NAV | CAN | H21 | 156.5° | 150.0° |
| CAE | CAD | NAV | CAN | 59.0° | 5.5° |
| CAD | CAE | CAF | H2 | 180.0° | 180.0° |
| CAE | CAD | CAC | H1 | 178.3° | 180.0° |
| CAD | CAE | CAF | H3 | 179.1° | 180.0° |
| NAV | CAN | CAO | H20 | 120.0° | 120.0° |
| NAV | CAN | CAO | H21 | 120.0° | 120.0° |
| NAV | CAN | H20 | H21 | 120.0° | 120.1° |
| NAV | CAN | CAO | H22 | 180.0° | 180.0° |
| NAV | CAN | CAO | H23 | 60.0° | 60.0° |
| NAV | CAN | CAO | H24 | 60.0° | 60.0° |
| CAO | CAN | H20 | H21 | 120.0° | 120.0° |
| CAN | CAO | H22 | H23 | 120.0° | 120.0° |
| CAN | CAO | H22 | H24 | 120.0° | 120.0° |
| CAN | CAO | H23 | H24 | 120.0° | 120.0° |
| H2 | CAE | CAF | H3 | 0.9° | 0.0° |
| H4 | CAG | CAH | H5 | 64.3° | 180.0° |
| H4 | CAG | CAH | H6 | 175.7° | 60.0° |
| H4 | CAG | CAH | H7 | 55.7° | 60.0° |
| H4 | CAG | CAI | H8 | 64.3° | NaN° |
| H4 | CAG | CAI | H9 | 55.7° | 60.0° |
| H4 | CAG | CAI | H10 | 175.7° | 60.0° |
| H5 | CAH | H6 | H7 | 120.0° | 120.1° |
| H8 | CAI | H9 | H10 | 120.0° | 120.0° |
| H11 | CAJ | CAK | H13 | 56.4° | 175.0° |
| H12 | CAJ | CAK | H13 | 177.0° | 65.0° |
| H13 | CAK | CAL | H14 | 59.9° | 179.9° |
| H13 | CAK | CAL | H15 | 179.9° | 59.9° |
| H13 | CAK | CAL | H16 | 60.1° | 60.0° |
| H13 | CAK | CAM | H17 | 60.0° | 180.0° |
| H13 | CAK | CAM | H18 | 60.1° | 60.0° |
| H13 | CAK | CAM | H19 | 179.9° | 60.0° |
| H14 | CAL | H15 | H16 | 120.0° | 120.0° |
| H17 | CAM | H18 | H19 | 120.0° | 120.0° |
| H20 | CAN | CAO | H22 | 60.0° | 60.0° |
| H20 | CAN | CAO | H23 | 180.0° | 60.0° |
| H20 | CAN | CAO | H24 | 60.0° | 180.0° |
| H21 | CAN | CAO | H22 | 60.0° | 60.0° |
| H21 | CAN | CAO | H23 | 60.0° | 180.0° |
| H21 | CAN | CAO | H24 | 180.0° | 60.0° |
| H22 | CAO | H23 | H24 | 120.0° | 120.0° |
| H25 | CAQ | CAR | H26 | 0.7° | 0.1° |
