E83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAS | sing | 1.51Å | 1.54Å | |
| OAR | CAK | doub | 1.22Å | 1.23Å | |
| CAS | OAU | doub | 1.21Å | 1.23Å | |
| CAS | CAJ | sing | 1.46Å | 1.55Å | |
| CAK | CAJ | sing | 1.47Å | 1.54Å | |
| CAK | CAL | sing | 1.48Å | 1.39Å | |
| CAQ | CAL | doub | 1.40Å | 1.39Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| CAJ | NAI | doub | 1.32Å | 1.34Å | |
| CAL | CAM | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| NAI | NAH | sing | 1.29Å | 1.19Å | |
| CAM | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| NAH | CAF | sing | 1.40Å | 1.34Å | |
| CAF | CAG | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAG | CAB | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.39Å | Aromatic |
| OBG | SAA | doub | 1.42Å | 1.53Å | |
| CAB | SAA | sing | 1.76Å | 1.80Å | |
| CAB | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| SAA | OBF | doub | 1.42Å | 1.53Å | |
| SAA | NAV | sing | 1.66Å | 1.64Å | |
| CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAZ | doub | 1.39Å | 1.39Å | Aromatic |
| CAX | CAW | doub | 1.39Å | 1.39Å | Aromatic |
| CAZ | CBA | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | NAV | sing | 1.39Å | 1.33Å | |
| CAW | CBB | sing | 1.40Å | 1.40Å | Aromatic |
| CBA | CBB | doub | 1.40Å | 1.39Å | Aromatic |
| CBB | CBC | sing | 1.47Å | 1.40Å | |
| CBC | OBD | doub | 1.21Å | 1.26Å | |
| CBC | OBE | sing | 1.35Å | 1.25Å | |
| CAC | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAM | H5 | sing | 1.08Å | 1.08Å | |
| CAN | H6 | sing | 1.08Å | 1.08Å | |
| CAO | H7 | sing | 1.08Å | 1.08Å | |
| CAP | H8 | sing | 1.08Å | 1.08Å | |
| CAQ | H9 | sing | 1.08Å | 1.08Å | |
| CAT | H10 | sing | 1.09Å | 1.10Å | |
| CAT | H11 | sing | 1.09Å | 1.10Å | |
| CAT | H12 | sing | 1.09Å | 1.10Å | |
| CAX | H13 | sing | 1.08Å | 1.08Å | |
| CAY | H14 | sing | 1.08Å | 1.08Å | |
| CAZ | H15 | sing | 1.08Å | 1.08Å | |
| CBA | H16 | sing | 1.08Å | 1.08Å | |
| NAH | H17 | sing | 0.97Å | 1.00Å | |
| NAV | H18 | sing | 0.97Å | 1.00Å | |
| OBE | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAS | OAU | 120.1° | 120.0° |
| CAT | CAS | CAJ | 119.2° | 120.0° |
| CAS | CAT | H10 | 109.5° | 109.5° |
| CAS | CAT | H11 | 109.5° | 109.5° |
| CAS | CAT | H12 | 109.5° | 109.5° |
| OAR | CAK | CAJ | 123.2° | 120.0° |
| OAR | CAK | CAL | 119.2° | 119.9° |
| OAU | CAS | CAJ | 120.6° | 120.0° |
| CAS | CAJ | CAK | 122.7° | 120.0° |
| CAS | CAJ | NAI | 118.7° | 120.0° |
| CAJ | CAK | CAL | 117.6° | 120.0° |
| CAK | CAJ | NAI | 118.6° | 120.0° |
| CAK | CAL | CAQ | 119.9° | 120.1° |
| CAK | CAL | CAM | 120.0° | 120.2° |
| CAL | CAQ | CAP | 119.9° | 119.9° |
| CAQ | CAL | CAM | 120.1° | 119.7° |
| CAL | CAQ | H9 | 120.0° | 120.1° |
| CAQ | CAP | CAO | 120.0° | 120.1° |
| CAQ | CAP | H8 | 120.0° | 120.0° |
| CAP | CAQ | H9 | 120.1° | 120.0° |
| CAJ | NAI | NAH | 117.9° | 120.0° |
| CAL | CAM | CAN | 120.0° | 119.9° |
| CAL | CAM | H5 | 120.0° | 120.0° |
| CAP | CAO | CAN | 120.1° | 120.3° |
| CAP | CAO | H7 | 120.0° | 119.9° |
| CAO | CAP | H8 | 120.0° | 119.9° |
| NAI | NAH | CAF | 117.2° | 120.0° |
| NAI | NAH | H17 | 121.4° | 120.0° |
| CAM | CAN | CAO | 120.0° | 120.1° |
| CAN | CAM | H5 | 120.0° | 120.1° |
| CAM | CAN | H6 | 120.0° | 120.0° |
| CAO | CAN | H6 | 120.0° | 119.9° |
| CAN | CAO | H7 | 120.0° | 119.8° |
| NAH | CAF | CAG | 120.8° | 120.1° |
| NAH | CAF | CAE | 119.6° | 120.1° |
| CAF | NAH | H17 | 121.4° | 120.0° |
| CAG | CAF | CAE | 119.6° | 119.8° |
| CAF | CAG | CAB | 120.6° | 119.9° |
| CAF | CAG | H4 | 119.7° | 120.1° |
| CAF | CAE | CAD | 120.0° | 119.9° |
| CAF | CAE | H3 | 120.0° | 120.0° |
| CAG | CAB | SAA | 121.6° | 119.9° |
| CAG | CAB | CAC | 119.2° | 120.1° |
| CAB | CAG | H4 | 119.7° | 120.0° |
| CAE | CAD | CAC | 120.2° | 120.1° |
| CAE | CAD | H2 | 119.9° | 119.9° |
| CAD | CAE | H3 | 120.0° | 120.1° |
| OBG | SAA | CAB | 109.7° | 106.4° |
| OBG | SAA | OBF | 111.3° | 123.2° |
| OBG | SAA | NAV | 110.5° | 106.4° |
| SAA | CAB | CAC | 119.2° | 119.9° |
| CAB | SAA | OBF | 109.8° | 106.4° |
| CAB | SAA | NAV | 107.5° | 107.2° |
| CAB | CAC | CAD | 120.5° | 120.1° |
| CAB | CAC | H1 | 119.8° | 119.9° |
| CAD | CAC | H1 | 119.8° | 119.9° |
| CAC | CAD | H2 | 119.9° | 120.0° |
| OBF | SAA | NAV | 107.9° | 106.4° |
| SAA | NAV | CAW | 117.1° | 120.0° |
| SAA | NAV | H18 | 107.5° | 120.0° |
| CAX | CAY | CAZ | 119.3° | 120.4° |
| CAY | CAX | CAW | 119.8° | 120.1° |
| CAY | CAX | H13 | 120.1° | 119.9° |
| CAX | CAY | H14 | 120.3° | 119.9° |
| CAY | CAZ | CBA | 120.6° | 120.4° |
| CAZ | CAY | H14 | 120.3° | 119.8° |
| CAY | CAZ | H15 | 119.7° | 119.8° |
| CAX | CAW | NAV | 121.2° | 120.2° |
| CAX | CAW | CBB | 121.4° | 119.6° |
| CAW | CAX | H13 | 120.1° | 120.0° |
| CAZ | CBA | CBB | 120.4° | 119.9° |
| CBA | CAZ | H15 | 119.7° | 119.8° |
| CAZ | CBA | H16 | 119.8° | 120.1° |
| NAV | CAW | CBB | 117.4° | 120.2° |
| CAW | NAV | H18 | 107.5° | 120.0° |
| CAW | CBB | CBA | 118.3° | 119.6° |
| CAW | CBB | CBC | 122.0° | 120.2° |
| CBA | CBB | CBC | 119.6° | 120.2° |
| CBB | CBA | H16 | 119.8° | 120.0° |
| CBB | CBC | OBD | 120.3° | 120.0° |
| CBB | CBC | OBE | 120.5° | 120.0° |
| OBD | CBC | OBE | 119.2° | 120.0° |
| CBC | OBE | H19 | 109.5° | 117.0° |
| H10 | CAT | H11 | 109.5° | 109.5° |
| H10 | CAT | H12 | 109.4° | 109.5° |
| H11 | CAT | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAS | OAU | CAJ | 178.6° | 180.0° |
| CAT | CAS | CAJ | CAK | 0.8° | 96.1° |
| CAT | CAS | CAJ | NAI | 179.1° | 83.8° |
| CAS | CAT | H10 | H11 | 120.0° | 120.0° |
| CAS | CAT | H10 | H12 | 120.0° | 120.0° |
| CAS | CAT | H11 | H12 | 120.0° | 120.0° |
| OAR | CAK | CAJ | CAS | 21.1° | 5.3° |
| OAR | CAK | CAJ | CAL | 179.7° | 179.9° |
| OAR | CAK | CAL | CAQ | 122.8° | 172.9° |
| OAR | CAK | CAJ | NAI | 158.8° | 174.7° |
| OAR | CAK | CAL | CAM | 54.4° | 6.9° |
| OAU | CAS | CAJ | CAK | 177.8° | 83.9° |
| OAU | CAS | CAJ | NAI | 2.3° | 96.2° |
| OAU | CAS | CAT | H10 | 0.0° | 5.0° |
| OAU | CAS | CAT | H11 | 120.0° | 125.0° |
| OAU | CAS | CAT | H12 | 120.0° | 115.0° |
| CAS | CAJ | CAK | NAI | 179.9° | 179.9° |
| CAS | CAJ | CAK | CAL | 158.7° | 174.7° |
| CAS | CAJ | NAI | NAH | 0.7° | 5.0° |
| CAJ | CAS | CAT | H10 | 178.6° | 175.0° |
| CAJ | CAS | CAT | H11 | 58.6° | 55.0° |
| CAJ | CAS | CAT | H12 | 61.4° | 65.0° |
| CAJ | CAK | CAL | CAQ | 57.0° | 7.0° |
| CAJ | CAK | CAL | CAM | 125.9° | 173.2° |
| CAK | CAJ | NAI | NAH | 179.2° | 175.1° |
| CAK | CAL | CAQ | CAM | 177.1° | 179.8° |
| CAK | CAL | CAQ | CAP | 178.8° | 179.7° |
| CAL | CAK | CAJ | NAI | 21.4° | 5.2° |
| CAK | CAL | CAM | CAN | 178.8° | 180.0° |
| CAK | CAL | CAM | H5 | 1.2° | 0.0° |
| CAK | CAL | CAQ | H9 | 1.2° | 0.1° |
| CAL | CAQ | CAP | H9 | 180.0° | 179.7° |
| CAL | CAQ | CAP | CAO | 0.7° | 0.5° |
| CAQ | CAL | CAM | CAN | 1.7° | 0.3° |
| CAQ | CAL | CAM | H5 | 178.3° | 179.8° |
| CAL | CAQ | CAP | H8 | 179.3° | 179.7° |
| CAP | CAQ | CAL | CAM | 1.6° | 0.5° |
| CAQ | CAP | CAO | H8 | 180.0° | 179.8° |
| CAQ | CAP | CAO | CAN | 0.1° | 0.2° |
| CAQ | CAP | CAO | H7 | 179.9° | 179.7° |
| CAJ | NAI | NAH | CAF | 178.1° | 175.1° |
| CAJ | NAI | NAH | H17 | 1.9° | 4.9° |
| CAL | CAM | CAN | H5 | 180.0° | 180.0° |
| CAL | CAM | CAN | CAO | 0.9° | 0.0° |
| CAL | CAM | CAN | H6 | 179.1° | 180.0° |
| CAM | CAL | CAQ | H9 | 178.4° | 179.7° |
| CAP | CAO | CAN | CAM | 0.0° | 0.1° |
| CAP | CAO | CAN | H7 | 180.0° | 179.9° |
| CAP | CAO | CAN | H6 | 180.0° | 180.0° |
| CAO | CAP | CAQ | H9 | 179.3° | 179.8° |
| NAI | NAH | CAF | H17 | 180.0° | 180.0° |
| NAI | NAH | CAF | CAG | 169.7° | 180.0° |
| NAI | NAH | CAF | CAE | 9.0° | 0.5° |
| CAM | CAN | CAO | H6 | 180.0° | 179.9° |
| CAM | CAN | CAO | H7 | 180.0° | 180.0° |
| CAO | CAN | CAM | H5 | 179.1° | 179.9° |
| CAN | CAO | CAP | H8 | 179.9° | 180.0° |
| NAH | CAF | CAG | CAE | 178.7° | 179.5° |
| NAH | CAF | CAG | CAB | 179.8° | 180.0° |
| NAH | CAF | CAE | CAD | 179.3° | 179.7° |
| NAH | CAF | CAE | H3 | 0.6° | 0.3° |
| NAH | CAF | CAG | H4 | 0.2° | 0.5° |
| CAF | CAG | CAB | H4 | 180.0° | 179.6° |
| CAG | CAF | CAE | CAD | 0.7° | 0.3° |
| CAF | CAG | CAB | SAA | 179.7° | 179.8° |
| CAF | CAG | CAB | CAC | 1.3° | 0.4° |
| CAG | CAF | CAE | H3 | 179.3° | 179.8° |
| CAG | CAF | NAH | H17 | 10.3° | 0.0° |
| CAE | CAF | CAG | CAB | 1.2° | 0.5° |
| CAF | CAE | CAD | H3 | 180.0° | 179.9° |
| CAF | CAE | CAD | CAC | 0.3° | 0.0° |
| CAF | CAE | CAD | H2 | 179.6° | 180.0° |
| CAE | CAF | CAG | H4 | 178.8° | 179.9° |
| CAE | CAF | NAH | H17 | 171.0° | 179.5° |
| CAG | CAB | SAA | OBG | 21.8° | 156.2° |
| CAG | CAB | SAA | CAC | 178.3° | 179.8° |
| CAG | CAB | CAC | CAD | 1.0° | 0.2° |
| CAG | CAB | SAA | OBF | 144.4° | 23.3° |
| CAG | CAB | SAA | NAV | 98.4° | 90.2° |
| CAG | CAB | CAC | H1 | 179.0° | 179.8° |
| CAE | CAD | CAC | CAB | 0.5° | 0.1° |
| CAE | CAD | CAC | H2 | 180.0° | 179.9° |
| CAE | CAD | CAC | H1 | 179.5° | 180.0° |
| OBG | SAA | CAB | OBF | 122.7° | 132.9° |
| OBG | SAA | CAB | NAV | 120.2° | 113.6° |
| OBG | SAA | CAB | CAC | 159.9° | 23.6° |
| OBG | SAA | OBF | NAV | 121.3° | 123.0° |
| OBG | SAA | NAV | CAW | 67.4° | 174.2° |
| OBG | SAA | NAV | H18 | 171.5° | 5.7° |
| SAA | CAB | CAC | CAD | 179.4° | 179.9° |
| CAB | SAA | OBF | NAV | 116.9° | 114.1° |
| CAB | SAA | NAV | CAW | 52.4° | 60.7° |
| SAA | CAB | CAC | H1 | 0.6° | 0.0° |
| SAA | CAB | CAG | H4 | 0.3° | 0.2° |
| CAB | SAA | NAV | H18 | 68.8° | 119.3° |
| CAB | CAC | CAD | H1 | 180.0° | 179.9° |
| CAC | CAB | SAA | OBF | 37.3° | 156.5° |
| CAC | CAB | SAA | NAV | 79.9° | 90.0° |
| CAB | CAC | CAD | H2 | 179.5° | 180.0° |
| CAC | CAB | CAG | H4 | 178.6° | 180.0° |
| CAC | CAD | CAE | H3 | 179.6° | 179.9° |
| OBF | SAA | NAV | CAW | 170.8° | 52.8° |
| OBF | SAA | NAV | H18 | 49.7° | 127.2° |
| SAA | NAV | CAW | CAX | 66.9° | 35.5° |
| SAA | NAV | CAW | H18 | 121.1° | 180.0° |
| SAA | NAV | CAW | CBB | 112.7° | 144.8° |
| CAX | CAY | CAZ | H14 | 180.0° | 180.0° |
| CAY | CAX | CAW | H13 | 180.0° | 179.9° |
| CAX | CAY | CAZ | CBA | 0.1° | 0.0° |
| CAY | CAX | CAW | NAV | 179.9° | 180.0° |
| CAY | CAX | CAW | CBB | 0.3° | 0.3° |
| CAX | CAY | CAZ | H15 | 179.9° | 180.0° |
| CAZ | CAY | CAX | CAW | 0.2° | 0.1° |
| CAY | CAZ | CBA | H15 | 180.0° | 180.0° |
| CAY | CAZ | CBA | CBB | 0.4° | 0.3° |
| CAZ | CAY | CAX | H13 | 179.8° | 179.9° |
| CAY | CAZ | CBA | H16 | 179.6° | 180.0° |
| CAX | CAW | NAV | CBB | 179.6° | 179.7° |
| CAX | CAW | CBB | CBA | 0.1° | 0.5° |
| CAX | CAW | CBB | CBC | 179.9° | 179.7° |
| CAW | CAX | CAY | H14 | 179.8° | 180.0° |
| CAX | CAW | NAV | H18 | 172.0° | 144.5° |
| CAZ | CBA | CBB | CAW | 0.3° | 0.5° |
| CAZ | CBA | CBB | H16 | 180.0° | 179.7° |
| CAZ | CBA | CBB | CBC | 179.8° | 179.7° |
| CBA | CAZ | CAY | H14 | 179.9° | 180.0° |
| NAV | CAW | CBB | CBA | 179.7° | 179.8° |
| NAV | CAW | CBB | CBC | 0.3° | 0.0° |
| NAV | CAW | CAX | H13 | 0.1° | 0.2° |
| CAW | CBB | CBA | CBC | 179.9° | 179.8° |
| CAW | CBB | CBC | OBD | 158.7° | 0.0° |
| CAW | CBB | CBC | OBE | 22.1° | 180.0° |
| CBB | CAW | CAX | H13 | 179.7° | 179.8° |
| CAW | CBB | CBA | H16 | 179.7° | 179.7° |
| CBB | CAW | NAV | H18 | 8.4° | 35.1° |
| CBA | CBB | CBC | OBD | 21.2° | 179.7° |
| CBA | CBB | CBC | OBE | 157.9° | 0.2° |
| CBB | CBA | CAZ | H15 | 179.6° | 179.8° |
| CBB | CBC | OBD | OBE | 179.2° | 180.0° |
| CBC | CBB | CBA | H16 | 0.2° | 0.0° |
| CBB | CBC | OBE | H19 | 179.2° | 179.9° |
| OBD | CBC | OBE | H19 | 0.0° | 0.1° |
| H1 | CAC | CAD | H2 | 0.5° | 0.1° |
| H2 | CAD | CAE | H3 | 0.4° | 0.0° |
| H5 | CAM | CAN | H6 | 0.8° | 0.0° |
| H6 | CAN | CAO | H7 | 0.0° | 0.1° |
| H7 | CAO | CAP | H8 | 0.1° | 0.1° |
| H8 | CAP | CAQ | H9 | 0.7° | 0.1° |
| H10 | CAT | H11 | H12 | 119.9° | 120.0° |
| H13 | CAX | CAY | H14 | 0.2° | 0.1° |
| H14 | CAY | CAZ | H15 | 0.1° | 0.0° |
| H15 | CAZ | CBA | H16 | 0.4° | 0.0° |
