8AI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAR | CAS | sing | 1.55Å | 1.50Å | |
| CAR | CAQ | sing | 1.55Å | 1.52Å | |
| CAS | CAO | sing | 1.50Å | 1.48Å | |
| NAN | CAM | doub | 1.32Å | 1.39Å | |
| CAQ | CAP | sing | 1.51Å | 1.50Å | |
| CAO | CAM | sing | 1.48Å | 1.38Å | |
| CAO | CAP | doub | 1.35Å | 1.37Å | |
| CAM | CAI | sing | 1.48Å | 1.40Å | |
| CAP | NAG | sing | 1.37Å | 1.35Å | |
| CAC | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CAB | sing | 1.38Å | 1.34Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAI | CAH | doub | 1.36Å | 1.39Å | |
| CAI | CAJ | sing | 1.50Å | 1.46Å | |
| NAG | CAH | sing | 1.37Å | 1.36Å | |
| NAG | CAF | sing | 1.47Å | 1.47Å | |
| CAH | CAL | sing | 1.51Å | 1.47Å | |
| FAA | CAB | sing | 1.35Å | 1.35Å | |
| CAB | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | sing | 1.51Å | 1.48Å | |
| CAJ | CAK | sing | 1.55Å | 1.57Å | |
| CAE | CAT | doub | 1.38Å | 1.37Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.42Å | Aromatic |
| CAL | CAK | sing | 1.55Å | 1.51Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| NAN | H4 | sing | 0.97Å | 1.00Å | |
| CAS | H6 | sing | 1.09Å | 1.10Å | |
| CAS | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.09Å | 1.10Å | |
| CAF | H12 | sing | 1.09Å | 1.10Å | |
| CAF | H13 | sing | 1.09Å | 1.10Å | |
| CAD | H14 | sing | 1.08Å | 1.08Å | |
| CAC | H15 | sing | 1.08Å | 1.08Å | |
| CAU | H16 | sing | 1.08Å | 1.08Å | |
| CAT | H17 | sing | 1.08Å | 1.08Å | |
| CAJ | H18 | sing | 1.09Å | 1.10Å | |
| CAK | H19 | sing | 1.09Å | 1.10Å | |
| CAL | H20 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | CAR | CAQ | 105.8° | 102.1° |
| CAR | CAS | CAO | 106.6° | 104.9° |
| CAR | CAS | H6 | 110.2° | 110.3° |
| CAR | CAS | H7 | 110.2° | 110.5° |
| CAS | CAR | H8 | 110.4° | 110.9° |
| CAS | CAR | H9 | 110.4° | 110.9° |
| CAR | CAQ | CAP | 104.7° | 105.1° |
| CAQ | CAR | H8 | 110.4° | 110.9° |
| CAQ | CAR | H9 | 110.4° | 110.9° |
| CAR | CAQ | H10 | 110.6° | 110.3° |
| CAR | CAQ | H11 | 110.6° | 110.4° |
| CAS | CAO | CAM | 130.6° | 127.9° |
| CAS | CAO | CAP | 109.7° | 110.9° |
| CAO | CAS | H6 | 110.2° | 110.4° |
| CAO | CAS | H7 | 110.2° | 110.4° |
| NAN | CAM | CAO | 119.5° | 123.7° |
| NAN | CAM | CAI | 121.6° | 123.7° |
| CAM | NAN | H4 | 112.0° | 120.0° |
| CAQ | CAP | CAO | 111.3° | 110.0° |
| CAQ | CAP | NAG | 126.6° | 126.9° |
| CAP | CAQ | H10 | 110.6° | 110.3° |
| CAP | CAQ | H11 | 110.7° | 110.3° |
| CAM | CAO | CAP | 119.6° | 121.2° |
| CAO | CAM | CAI | 118.9° | 112.6° |
| CAO | CAP | NAG | 122.1° | 123.1° |
| CAM | CAI | CAH | 119.0° | 121.2° |
| CAM | CAI | CAJ | 130.4° | 127.9° |
| CAP | NAG | CAH | 119.4° | 117.7° |
| CAP | NAG | CAF | 121.7° | 121.1° |
| CAD | CAC | CAB | 117.5° | 120.0° |
| CAC | CAD | CAE | 122.6° | 120.0° |
| CAC | CAD | H14 | 118.7° | 120.0° |
| CAD | CAC | H15 | 121.3° | 120.0° |
| CAC | CAB | FAA | 118.5° | 120.0° |
| CAC | CAB | CAU | 122.7° | 120.0° |
| CAB | CAC | H15 | 121.2° | 120.0° |
| CAD | CAE | CAF | 120.1° | 119.9° |
| CAD | CAE | CAT | 118.6° | 120.0° |
| CAE | CAD | H14 | 118.7° | 120.0° |
| CAH | CAI | CAJ | 110.5° | 110.9° |
| CAI | CAH | NAG | 121.0° | 123.1° |
| CAI | CAH | CAL | 113.5° | 110.0° |
| CAI | CAJ | CAK | 104.4° | 104.8° |
| CAI | CAJ | H1 | 110.7° | 110.3° |
| CAI | CAJ | H18 | 110.7° | 110.4° |
| CAH | NAG | CAF | 118.9° | 121.1° |
| NAG | CAH | CAL | 125.5° | 126.9° |
| NAG | CAF | CAE | 114.9° | 109.5° |
| NAG | CAF | H12 | 108.1° | 109.5° |
| NAG | CAF | H13 | 108.1° | 109.5° |
| CAH | CAL | CAK | 103.9° | 105.1° |
| CAH | CAL | H3 | 110.9° | 110.3° |
| CAH | CAL | H20 | 110.8° | 110.4° |
| FAA | CAB | CAU | 118.8° | 120.0° |
| CAB | CAU | CAT | 119.2° | 119.9° |
| CAB | CAU | H16 | 120.4° | 120.1° |
| CAF | CAE | CAT | 121.0° | 120.0° |
| CAE | CAF | H12 | 108.1° | 109.4° |
| CAE | CAF | H13 | 108.1° | 109.5° |
| CAJ | CAK | CAL | 107.5° | 102.1° |
| CAK | CAJ | H1 | 110.7° | 110.4° |
| CAJ | CAK | H2 | 110.0° | 110.9° |
| CAK | CAJ | H18 | 110.7° | 110.4° |
| CAJ | CAK | H19 | 110.0° | 110.9° |
| CAE | CAT | CAU | 119.3° | 120.1° |
| CAE | CAT | H17 | 120.3° | 119.9° |
| CAT | CAU | H16 | 120.4° | 120.0° |
| CAU | CAT | H17 | 120.4° | 120.0° |
| CAL | CAK | H2 | 109.9° | 110.9° |
| CAK | CAL | H3 | 110.8° | 110.3° |
| CAL | CAK | H19 | 109.9° | 110.9° |
| CAK | CAL | H20 | 110.8° | 110.3° |
| H1 | CAJ | H18 | 109.5° | 110.4° |
| H2 | CAK | H19 | 109.5° | 110.8° |
| H3 | CAL | H20 | 109.5° | 110.3° |
| H6 | CAS | H7 | 109.4° | 110.3° |
| H8 | CAR | H9 | 109.5° | 110.8° |
| H10 | CAQ | H11 | 109.5° | 110.4° |
| H12 | CAF | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | CAR | CAQ | H8 | 119.4° | 118.2° |
| CAS | CAR | CAQ | H9 | 119.4° | 118.2° |
| CAR | CAS | CAO | H6 | 119.6° | 118.8° |
| CAR | CAS | CAO | H7 | 119.6° | 119.0° |
| CAS | CAR | CAQ | CAP | 13.0° | 24.9° |
| CAR | CAS | CAO | CAM | 174.1° | 163.5° |
| CAR | CAS | CAO | CAP | 9.0° | 16.3° |
| CAR | CAS | H6 | H7 | 121.3° | 122.3° |
| CAS | CAR | H8 | H9 | 121.7° | 123.6° |
| CAS | CAR | CAQ | H10 | 106.3° | 93.9° |
| CAS | CAR | CAQ | H11 | 132.3° | 143.8° |
| CAQ | CAR | CAS | CAO | 13.5° | 24.8° |
| CAR | CAQ | CAP | H10 | 119.2° | 118.9° |
| CAR | CAQ | CAP | H11 | 119.3° | 119.0° |
| CAR | CAQ | CAP | CAO | 8.0° | 16.4° |
| CAR | CAQ | CAP | NAG | 171.5° | 163.7° |
| CAQ | CAR | CAS | H6 | 133.1° | 94.0° |
| CAQ | CAR | CAS | H7 | 106.0° | 143.8° |
| CAQ | CAR | H8 | H9 | 121.7° | 123.6° |
| CAR | CAQ | H10 | H11 | 122.2° | 122.2° |
| CAS | CAO | CAM | NAN | 3.3° | 8.2° |
| CAS | CAO | CAP | CAQ | 0.6° | 0.0° |
| CAS | CAO | CAM | CAP | 176.7° | 179.8° |
| CAS | CAO | CAM | CAI | 178.2° | 171.8° |
| CAS | CAO | CAP | NAG | 180.0° | 179.9° |
| CAO | CAS | H6 | H7 | 121.3° | 122.2° |
| CAO | CAS | CAR | H8 | 132.9° | 143.1° |
| CAO | CAS | CAR | H9 | 105.9° | 93.3° |
| NAN | CAM | CAO | CAI | 178.5° | 180.0° |
| NAN | CAM | CAO | CAP | 180.0° | 172.0° |
| NAN | CAM | CAI | CAH | 177.7° | 172.0° |
| NAN | CAM | CAI | CAJ | 0.2° | 8.1° |
| CAQ | CAP | CAO | CAM | 177.9° | 179.9° |
| CAQ | CAP | CAO | NAG | 179.5° | 179.9° |
| CAQ | CAP | NAG | CAH | 179.3° | 171.1° |
| CAQ | CAP | NAG | CAF | 0.4° | 8.8° |
| CAP | CAQ | CAR | H8 | 132.4° | 143.2° |
| CAP | CAQ | CAR | H9 | 106.4° | 93.3° |
| CAP | CAQ | H10 | H11 | 122.2° | 122.1° |
| CAM | CAO | CAP | NAG | 2.7° | 0.2° |
| CAO | CAM | CAI | CAH | 0.8° | 8.0° |
| CAO | CAM | CAI | CAJ | 178.3° | 171.9° |
| CAO | CAM | NAN | H4 | 178.5° | 0.0° |
| CAM | CAO | CAS | H6 | 54.5° | 77.6° |
| CAM | CAO | CAS | H7 | 66.4° | 44.5° |
| CAP | CAO | CAM | CAI | 1.5° | 8.0° |
| CAO | CAP | NAG | CAH | 1.4° | 9.0° |
| CAO | CAP | NAG | CAF | 179.0° | 171.0° |
| CAP | CAO | CAS | H6 | 128.6° | 102.5° |
| CAP | CAO | CAS | H7 | 110.5° | 135.3° |
| CAO | CAP | CAQ | H10 | 111.3° | 102.4° |
| CAO | CAP | CAQ | H11 | 127.2° | 135.4° |
| CAM | CAI | CAH | CAJ | 177.9° | 179.9° |
| CAM | CAI | CAH | NAG | 2.1° | 0.2° |
| CAM | CAI | CAH | CAL | 178.6° | 179.8° |
| CAM | CAI | CAJ | CAK | 179.3° | 163.5° |
| CAM | CAI | CAJ | H1 | 61.5° | 77.7° |
| CAI | CAM | NAN | H4 | 0.0° | 180.0° |
| CAM | CAI | CAJ | H18 | 60.1° | 44.6° |
| CAP | NAG | CAH | CAI | 1.1° | 9.0° |
| CAP | NAG | CAH | CAF | 179.7° | 180.0° |
| CAP | NAG | CAH | CAL | 179.8° | 171.1° |
| CAP | NAG | CAF | CAE | 98.7° | 85.9° |
| NAG | CAP | CAQ | H10 | 69.3° | 77.4° |
| NAG | CAP | CAQ | H11 | 52.2° | 44.7° |
| CAP | NAG | CAF | H12 | 22.1° | 34.0° |
| CAP | NAG | CAF | H13 | 140.5° | 154.1° |
| CAD | CAC | CAB | H15 | 180.0° | 180.0° |
| CAC | CAD | CAE | H14 | 180.0° | 180.0° |
| CAD | CAC | CAB | FAA | 178.8° | 179.9° |
| CAD | CAC | CAB | CAU | 2.3° | 0.0° |
| CAC | CAD | CAE | CAF | 173.0° | 180.0° |
| CAC | CAD | CAE | CAT | 1.0° | 0.3° |
| CAB | CAC | CAD | CAE | 0.0° | 0.0° |
| CAC | CAB | FAA | CAU | 178.9° | 179.9° |
| CAC | CAB | CAU | CAT | 3.4° | 0.2° |
| CAB | CAC | CAD | H14 | 180.0° | 180.0° |
| CAC | CAB | CAU | H16 | 176.6° | 180.0° |
| CAD | CAE | CAF | NAG | 42.5° | 84.4° |
| CAD | CAE | CAF | CAT | 173.9° | 179.7° |
| CAD | CAE | CAT | CAU | 0.1° | 0.5° |
| CAD | CAE | CAF | H12 | 78.3° | 155.6° |
| CAD | CAE | CAF | H13 | 163.2° | 35.6° |
| CAE | CAD | CAC | H15 | 180.0° | 179.9° |
| CAD | CAE | CAT | H17 | 179.9° | 179.7° |
| CAI | CAH | NAG | CAL | 179.1° | 179.9° |
| CAI | CAH | NAG | CAF | 178.6° | 171.0° |
| CAH | CAI | CAJ | CAK | 3.1° | 16.4° |
| CAI | CAH | CAL | CAK | 2.1° | 16.4° |
| CAH | CAI | CAJ | H1 | 116.1° | 102.4° |
| CAI | CAH | CAL | H3 | 121.2° | 135.3° |
| CAH | CAI | CAJ | H18 | 122.3° | 135.3° |
| CAI | CAH | CAL | H20 | 117.0° | 102.6° |
| CAJ | CAI | CAH | NAG | 179.9° | 179.9° |
| CAJ | CAI | CAH | CAL | 0.7° | 0.0° |
| CAI | CAJ | CAK | H1 | 119.2° | 118.8° |
| CAI | CAJ | CAK | H18 | 119.2° | 118.9° |
| CAI | CAJ | CAK | CAL | 4.3° | 24.8° |
| CAI | CAJ | H1 | H18 | 122.4° | 122.3° |
| CAI | CAJ | CAK | H2 | 124.0° | 93.3° |
| CAI | CAJ | CAK | H19 | 115.3° | 143.1° |
| CAH | NAG | CAF | CAE | 81.0° | 94.1° |
| NAG | CAH | CAL | CAK | 177.1° | 163.7° |
| NAG | CAH | CAL | H3 | 58.0° | 44.7° |
| CAH | NAG | CAF | H12 | 158.2° | 145.9° |
| CAH | NAG | CAF | H13 | 39.8° | 25.9° |
| NAG | CAH | CAL | H20 | 63.8° | 77.4° |
| CAF | NAG | CAH | CAL | 0.5° | 8.9° |
| NAG | CAF | CAE | H12 | 120.8° | 120.0° |
| NAG | CAF | CAE | H13 | 120.8° | 120.0° |
| NAG | CAF | CAE | CAT | 143.6° | 95.2° |
| NAG | CAF | H12 | H13 | 117.6° | 120.0° |
| CAH | CAL | CAK | CAJ | 3.9° | 24.9° |
| CAH | CAL | CAK | H3 | 119.1° | 118.9° |
| CAH | CAL | CAK | H20 | 119.1° | 119.0° |
| CAH | CAL | CAK | H2 | 123.6° | 93.3° |
| CAH | CAL | H3 | H20 | 122.6° | 122.2° |
| CAH | CAL | CAK | H19 | 115.8° | 143.2° |
| FAA | CAB | CAU | CAT | 177.7° | 179.7° |
| FAA | CAB | CAC | H15 | 1.2° | 0.1° |
| FAA | CAB | CAU | H16 | 2.3° | 0.1° |
| CAB | CAU | CAT | CAE | 2.2° | 0.5° |
| CAB | CAU | CAT | H16 | 180.0° | 179.8° |
| CAU | CAB | CAC | H15 | 177.7° | 180.0° |
| CAB | CAU | CAT | H17 | 177.8° | 179.7° |
| CAF | CAE | CAT | CAU | 174.1° | 179.8° |
| CAE | CAF | H12 | H13 | 117.5° | 120.0° |
| CAF | CAE | CAD | H14 | 7.0° | 0.0° |
| CAF | CAE | CAT | H17 | 5.9° | 0.0° |
| CAJ | CAK | CAL | H2 | 119.7° | 118.2° |
| CAJ | CAK | CAL | H19 | 119.7° | 118.2° |
| CAK | CAJ | H1 | H18 | 122.4° | 122.3° |
| CAJ | CAK | H2 | H19 | 120.9° | 123.6° |
| CAJ | CAK | CAL | H3 | 123.0° | 143.8° |
| CAJ | CAK | CAL | H20 | 115.2° | 94.1° |
| CAE | CAT | CAU | H17 | 180.0° | 179.8° |
| CAT | CAE | CAF | H12 | 95.6° | 24.7° |
| CAT | CAE | CAF | H13 | 22.9° | 144.7° |
| CAT | CAE | CAD | H14 | 179.0° | 179.7° |
| CAE | CAT | CAU | H16 | 177.8° | 179.7° |
| CAL | CAK | CAJ | H1 | 114.8° | 94.0° |
| CAL | CAK | H2 | H19 | 120.9° | 123.6° |
| CAK | CAL | H3 | H20 | 122.6° | 122.1° |
| CAL | CAK | CAJ | H18 | 123.5° | 143.8° |
| H1 | CAJ | CAK | H2 | 4.9° | 147.9° |
| H1 | CAJ | CAK | H19 | 125.5° | 24.3° |
| H2 | CAK | CAL | H3 | 117.3° | 25.6° |
| H2 | CAK | CAJ | H18 | 116.8° | 25.6° |
| H2 | CAK | CAL | H20 | 4.5° | 147.7° |
| H3 | CAL | CAK | H19 | 3.3° | 97.9° |
| H6 | CAS | CAR | H8 | 107.5° | 24.2° |
| H6 | CAS | CAR | H9 | 13.7° | 147.8° |
| H7 | CAS | CAR | H8 | 13.4° | 98.0° |
| H7 | CAS | CAR | H9 | 134.6° | 25.6° |
| H8 | CAR | CAQ | H10 | 13.1° | 24.3° |
| H8 | CAR | CAQ | H11 | 108.3° | 97.9° |
| H9 | CAR | CAQ | H10 | 134.4° | 147.9° |
| H9 | CAR | CAQ | H11 | 12.9° | 25.6° |
| H14 | CAD | CAC | H15 | 0.0° | 0.0° |
| H16 | CAU | CAT | H17 | 2.2° | 0.1° |
| H18 | CAJ | CAK | H19 | 3.8° | 98.0° |
| H19 | CAK | CAL | H20 | 125.1° | 24.2° |
