IC8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAP | sing | 1.51Å | 1.54Å | |
| CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
| CAP | CAH | doub | 1.39Å | 1.40Å | Aromatic |
| CAQ | CAR | doub | 1.38Å | 1.40Å | Aromatic |
| CAR | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAJ | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAH | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | NAG | sing | 1.40Å | 1.40Å | |
| NAG | CAF | sing | 1.35Å | 1.42Å | |
| NAG | CAO | sing | 1.36Å | 1.39Å | |
| CAF | OAB | doub | 1.22Å | 1.22Å | |
| CAF | CAE | sing | 1.47Å | 1.39Å | |
| CAE | CAD | sing | 1.39Å | 1.42Å | Aromatic |
| CAE | CAM | doub | 1.41Å | 1.40Å | Aromatic |
| CAD | CAA | sing | 1.51Å | 1.54Å | |
| CAD | CAC | doub | 1.38Å | 1.39Å | Aromatic |
| CAC | CAK | sing | 1.39Å | 1.38Å | Aromatic |
| CAK | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAL | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | NAN | sing | 1.36Å | 1.35Å | |
| NAN | CAO | doub | 1.30Å | 1.33Å | |
| CAO | CAS | sing | 1.51Å | 1.56Å | |
| CAS | N9 | sing | 1.47Å | 1.48Å | |
| N9 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.38Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.34Å | |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT2 | sing | 1.09Å | 1.10Å | |
| CAT | HAT3 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | H61N | sing | 0.97Å | 1.00Å | |
| N6 | H62N | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAP | CAQ | 118.6° | 120.0° |
| CAT | CAP | CAH | 122.1° | 120.1° |
| CAP | CAT | HAT1 | 109.5° | 109.5° |
| CAP | CAT | HAT2 | 109.5° | 109.5° |
| CAP | CAT | HAT3 | 109.4° | 109.5° |
| CAQ | CAP | CAH | 119.3° | 119.9° |
| CAP | CAQ | CAR | 119.9° | 120.1° |
| CAP | CAQ | HAQ | 120.1° | 119.9° |
| CAP | CAH | CAI | 120.9° | 119.9° |
| CAP | CAH | NAG | 123.1° | 120.1° |
| CAQ | CAR | CAJ | 120.6° | 120.1° |
| CAR | CAQ | HAQ | 120.0° | 120.0° |
| CAQ | CAR | HAR | 119.7° | 119.9° |
| CAR | CAJ | CAI | 119.8° | 120.1° |
| CAJ | CAR | HAR | 119.7° | 120.0° |
| CAR | CAJ | HAJ | 120.1° | 119.9° |
| CAJ | CAI | CAH | 119.5° | 119.9° |
| CAI | CAJ | HAJ | 120.1° | 120.0° |
| CAJ | CAI | HAI | 120.2° | 120.1° |
| CAI | CAH | NAG | 116.0° | 120.1° |
| CAH | CAI | HAI | 120.2° | 120.0° |
| CAH | NAG | CAF | 119.7° | 119.7° |
| CAH | NAG | CAO | 121.1° | 119.8° |
| CAF | NAG | CAO | 119.0° | 120.6° |
| NAG | CAF | OAB | 119.5° | 121.3° |
| NAG | CAF | CAE | 121.1° | 117.4° |
| NAG | CAO | NAN | 118.3° | 123.4° |
| NAG | CAO | CAS | 121.5° | 118.3° |
| OAB | CAF | CAE | 119.3° | 121.3° |
| CAF | CAE | CAD | 123.2° | 121.9° |
| CAF | CAE | CAM | 116.4° | 118.0° |
| CAD | CAE | CAM | 120.4° | 120.1° |
| CAE | CAD | CAA | 123.8° | 120.2° |
| CAE | CAD | CAC | 119.1° | 119.5° |
| CAE | CAM | CAL | 119.4° | 119.3° |
| CAE | CAM | NAN | 121.1° | 119.1° |
| CAA | CAD | CAC | 117.1° | 120.3° |
| CAD | CAA | HAA1 | 109.5° | 109.4° |
| CAD | CAA | HAA2 | 109.5° | 109.4° |
| CAD | CAA | HAA3 | 109.5° | 109.5° |
| CAD | CAC | CAK | 120.5° | 120.6° |
| CAD | CAC | HAC | 119.8° | 119.7° |
| CAC | CAK | CAL | 120.6° | 120.8° |
| CAK | CAC | HAC | 119.7° | 119.7° |
| CAC | CAK | HAK | 119.7° | 119.6° |
| CAK | CAL | CAM | 119.9° | 119.7° |
| CAL | CAK | HAK | 119.7° | 119.6° |
| CAK | CAL | HAL | 120.0° | 120.2° |
| CAL | CAM | NAN | 119.5° | 121.6° |
| CAM | CAL | HAL | 120.0° | 120.1° |
| CAM | NAN | CAO | 124.0° | 121.6° |
| NAN | CAO | CAS | 120.1° | 118.4° |
| CAO | CAS | N9 | 107.7° | 109.5° |
| CAO | CAS | HAS1 | 110.0° | 109.5° |
| CAO | CAS | HAS2 | 110.5° | 109.5° |
| CAS | N9 | C8 | 125.8° | 126.3° |
| CAS | N9 | C4 | 123.7° | 126.2° |
| N9 | CAS | HAS1 | 110.1° | 109.5° |
| N9 | CAS | HAS2 | 110.4° | 109.5° |
| C8 | N9 | C4 | 110.5° | 107.5° |
| N9 | C8 | N7 | 107.6° | 110.0° |
| N9 | C8 | H8 | 126.2° | 125.0° |
| N9 | C4 | C5 | 105.6° | 106.0° |
| N9 | C4 | N3 | 133.5° | 135.0° |
| C8 | N7 | C5 | 107.4° | 109.5° |
| N7 | C8 | H8 | 126.2° | 125.0° |
| N7 | C5 | C4 | 108.8° | 107.1° |
| N7 | C5 | C6 | 133.3° | 134.7° |
| C4 | C5 | C6 | 117.9° | 118.2° |
| C5 | C4 | N3 | 120.9° | 119.0° |
| C5 | C6 | N1 | 118.9° | 118.5° |
| C5 | C6 | N6 | 119.5° | 120.8° |
| C4 | N3 | C2 | 120.4° | 120.7° |
| N3 | C2 | N1 | 120.2° | 122.5° |
| N3 | C2 | H2 | 119.9° | 118.7° |
| C2 | N1 | C6 | 121.7° | 121.2° |
| N1 | C2 | H2 | 119.9° | 118.8° |
| N1 | C6 | N6 | 121.6° | 120.7° |
| C6 | N6 | H61N | 109.5° | 120.0° |
| C6 | N6 | H62N | 109.5° | 120.0° |
| HAT1 | CAT | HAT2 | 109.4° | 109.4° |
| HAT1 | CAT | HAT3 | 109.4° | 109.4° |
| HAT2 | CAT | HAT3 | 109.5° | 109.4° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAS1 | CAS | HAS2 | 108.1° | 109.5° |
| H61N | N6 | H62N | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAP | CAQ | CAH | 179.1° | 179.7° |
| CAT | CAP | CAQ | CAR | 179.1° | 180.0° |
| CAT | CAP | CAH | CAI | 180.0° | 179.7° |
| CAT | CAP | CAH | NAG | 1.5° | 0.0° |
| CAP | CAT | HAT1 | HAT2 | 120.0° | 120.0° |
| CAP | CAT | HAT1 | HAT3 | 120.0° | 120.1° |
| CAP | CAT | HAT2 | HAT3 | 120.0° | 120.1° |
| CAT | CAP | CAQ | HAQ | 0.9° | 0.1° |
| CAP | CAQ | CAR | HAQ | 180.0° | 179.9° |
| CAP | CAQ | CAR | CAJ | 0.6° | 0.0° |
| CAQ | CAP | CAH | CAI | 1.0° | 0.6° |
| CAQ | CAP | CAH | NAG | 179.4° | 179.7° |
| CAQ | CAP | CAT | HAT1 | 46.7° | 90.0° |
| CAQ | CAP | CAT | HAT2 | 73.3° | 150.0° |
| CAQ | CAP | CAT | HAT3 | 166.7° | 30.0° |
| CAP | CAQ | CAR | HAR | 179.4° | 180.0° |
| CAH | CAP | CAQ | CAR | 0.1° | 0.3° |
| CAP | CAH | CAI | CAJ | 1.2° | 0.6° |
| CAP | CAH | CAI | NAG | 178.5° | 179.7° |
| CAP | CAH | NAG | CAF | 85.8° | 90.0° |
| CAP | CAH | NAG | CAO | 98.2° | 89.7° |
| CAH | CAP | CAT | HAT1 | 132.3° | 90.3° |
| CAH | CAP | CAT | HAT2 | 107.7° | 29.7° |
| CAH | CAP | CAT | HAT3 | 12.4° | 149.7° |
| CAH | CAP | CAQ | HAQ | 180.0° | 179.8° |
| CAP | CAH | CAI | HAI | 178.8° | 179.7° |
| CAQ | CAR | CAJ | HAR | 180.0° | 180.0° |
| CAQ | CAR | CAJ | CAI | 0.3° | 0.0° |
| CAQ | CAR | CAJ | HAJ | 179.7° | 180.0° |
| CAR | CAJ | CAI | HAJ | 180.0° | 180.0° |
| CAR | CAJ | CAI | CAH | 0.6° | 0.3° |
| CAJ | CAR | CAQ | HAQ | 179.4° | 179.9° |
| CAR | CAJ | CAI | HAI | 179.4° | 180.0° |
| CAJ | CAI | CAH | HAI | 180.0° | 179.7° |
| CAJ | CAI | CAH | NAG | 179.8° | 179.7° |
| CAI | CAJ | CAR | HAR | 179.7° | 180.0° |
| CAI | CAH | NAG | CAF | 92.7° | 90.3° |
| CAI | CAH | NAG | CAO | 83.3° | 90.0° |
| CAH | CAI | CAJ | HAJ | 179.4° | 179.8° |
| CAH | NAG | CAF | CAO | 176.1° | 179.7° |
| CAH | NAG | CAF | OAB | 2.7° | 0.1° |
| CAH | NAG | CAF | CAE | 178.8° | 180.0° |
| CAH | NAG | CAO | NAN | 178.7° | 179.7° |
| CAH | NAG | CAO | CAS | 3.0° | 0.0° |
| NAG | CAH | CAI | HAI | 0.2° | 0.0° |
| NAG | CAF | OAB | CAE | 178.5° | 180.0° |
| NAG | CAF | CAE | CAD | 179.0° | 180.0° |
| NAG | CAF | CAE | CAM | 1.5° | 0.0° |
| CAF | NAG | CAO | NAN | 2.7° | 0.6° |
| CAF | NAG | CAO | CAS | 179.0° | 179.7° |
| CAO | NAG | CAF | OAB | 178.8° | 179.7° |
| CAO | NAG | CAF | CAE | 2.7° | 0.3° |
| NAG | CAO | NAN | CAM | 1.6° | 0.6° |
| NAG | CAO | NAN | CAS | 178.3° | 179.7° |
| NAG | CAO | CAS | N9 | 147.9° | 180.0° |
| NAG | CAO | CAS | HAS1 | 92.1° | 60.0° |
| NAG | CAO | CAS | HAS2 | 27.2° | 60.0° |
| OAB | CAF | CAE | CAD | 0.5° | 0.0° |
| OAB | CAF | CAE | CAM | 180.0° | 180.0° |
| CAF | CAE | CAD | CAM | 179.5° | 180.0° |
| CAF | CAE | CAD | CAA | 0.5° | 0.0° |
| CAF | CAE | CAD | CAC | 179.8° | 180.0° |
| CAF | CAE | CAM | CAL | 179.1° | 180.0° |
| CAF | CAE | CAM | NAN | 0.4° | 0.0° |
| CAE | CAD | CAA | CAC | 179.7° | 180.0° |
| CAE | CAD | CAC | CAK | 0.7° | 0.1° |
| CAD | CAE | CAM | CAL | 0.3° | 0.0° |
| CAD | CAE | CAM | NAN | 179.9° | 179.9° |
| CAE | CAD | CAA | HAA1 | 136.3° | 83.5° |
| CAE | CAD | CAA | HAA2 | 103.7° | 156.5° |
| CAE | CAD | CAA | HAA3 | 16.3° | 36.5° |
| CAE | CAD | CAC | HAC | 179.3° | 180.0° |
| CAM | CAE | CAD | CAA | 180.0° | 180.0° |
| CAM | CAE | CAD | CAC | 0.3° | 0.0° |
| CAE | CAM | CAL | CAK | 0.7° | 0.0° |
| CAE | CAM | CAL | NAN | 179.6° | 179.9° |
| CAE | CAM | NAN | CAO | 0.5° | 0.2° |
| CAE | CAM | CAL | HAL | 179.4° | 180.0° |
| CAA | CAD | CAC | CAK | 179.6° | 180.0° |
| CAD | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAD | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAD | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | CAD | CAC | HAC | 0.4° | 0.0° |
| CAD | CAC | CAK | HAC | 180.0° | 179.9° |
| CAD | CAC | CAK | CAL | 0.4° | 0.1° |
| CAC | CAD | CAA | HAA1 | 44.0° | 96.5° |
| CAC | CAD | CAA | HAA2 | 76.0° | 23.5° |
| CAC | CAD | CAA | HAA3 | 164.0° | 143.5° |
| CAD | CAC | CAK | HAK | 179.6° | 180.0° |
| CAC | CAK | CAL | HAK | 180.0° | 180.0° |
| CAC | CAK | CAL | CAM | 0.3° | 0.0° |
| CAC | CAK | CAL | HAL | 179.7° | 180.0° |
| CAK | CAL | CAM | HAL | 180.0° | 180.0° |
| CAK | CAL | CAM | NAN | 179.8° | 179.9° |
| CAL | CAK | CAC | HAC | 179.6° | 180.0° |
| CAL | CAM | NAN | CAO | 179.1° | 179.7° |
| CAM | CAL | CAK | HAK | 179.7° | 180.0° |
| CAM | NAN | CAO | CAS | 180.0° | 179.7° |
| NAN | CAM | CAL | HAL | 0.2° | 0.1° |
| NAN | CAO | CAS | N9 | 30.4° | 0.2° |
| NAN | CAO | CAS | HAS1 | 89.6° | 120.3° |
| NAN | CAO | CAS | HAS2 | 151.1° | 119.8° |
| CAO | CAS | N9 | HAS1 | 120.0° | 120.0° |
| CAO | CAS | N9 | HAS2 | 120.7° | 120.0° |
| CAO | CAS | N9 | C8 | 96.6° | 94.9° |
| CAO | CAS | N9 | C4 | 81.8° | 84.7° |
| CAO | CAS | HAS1 | HAS2 | 120.7° | 120.0° |
| CAS | N9 | C8 | C4 | 178.6° | 179.7° |
| CAS | N9 | C8 | N7 | 178.2° | 180.0° |
| CAS | N9 | C4 | C5 | 178.8° | 179.9° |
| CAS | N9 | C4 | N3 | 1.7° | 0.0° |
| N9 | CAS | HAS1 | HAS2 | 120.7° | 120.0° |
| CAS | N9 | C8 | H8 | 1.8° | 0.1° |
| N9 | C8 | N7 | H8 | 180.0° | 179.9° |
| N9 | C8 | N7 | C5 | 0.8° | 0.0° |
| C8 | N9 | C4 | C5 | 0.1° | 0.5° |
| C8 | N9 | C4 | N3 | 179.6° | 179.7° |
| C8 | N9 | CAS | HAS1 | 23.4° | 145.1° |
| C8 | N9 | CAS | HAS2 | 142.7° | 25.1° |
| C4 | N9 | C8 | N7 | 0.4° | 0.3° |
| N9 | C4 | C5 | N7 | 0.7° | 0.4° |
| N9 | C4 | C5 | N3 | 179.6° | 179.9° |
| N9 | C4 | C5 | C6 | 179.5° | 179.8° |
| N9 | C4 | N3 | C2 | 179.9° | 180.0° |
| C4 | N9 | CAS | HAS1 | 158.2° | 35.3° |
| C4 | N9 | CAS | HAS2 | 38.9° | 155.3° |
| C4 | N9 | C8 | H8 | 179.6° | 179.8° |
| C8 | N7 | C5 | C4 | 0.9° | 0.3° |
| C8 | N7 | C5 | C6 | 179.2° | 180.0° |
| N7 | C5 | C4 | C6 | 179.9° | 179.8° |
| N7 | C5 | C4 | N3 | 179.8° | 179.7° |
| N7 | C5 | C6 | N1 | 179.5° | 179.2° |
| N7 | C5 | C6 | N6 | 0.4° | 0.0° |
| C5 | N7 | C8 | H8 | 179.1° | 179.9° |
| C5 | C4 | N3 | C2 | 0.4° | 0.2° |
| C4 | C5 | C6 | N1 | 0.3° | 0.5° |
| C4 | C5 | C6 | N6 | 179.7° | 179.7° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C5 | C6 | N1 | C2 | 0.0° | 0.6° |
| C5 | C6 | N1 | N6 | 179.9° | 179.2° |
| C5 | C6 | N6 | H61N | 106.1° | 0.0° |
| C5 | C6 | N6 | H62N | 133.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.7° | 0.0° |
| C4 | N3 | C2 | H2 | 179.3° | 180.0° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.5° | 0.4° |
| C2 | N1 | C6 | N6 | 180.0° | 179.9° |
| C6 | N1 | C2 | H2 | 179.5° | 179.6° |
| N1 | C6 | N6 | H61N | 73.9° | 179.2° |
| N1 | C6 | N6 | H62N | 46.1° | 0.8° |
| C6 | N6 | H61N | H62N | 120.0° | 180.0° |
| HAT1 | CAT | HAT2 | HAT3 | 120.0° | 119.9° |
| HAQ | CAQ | CAR | HAR | 0.6° | 0.1° |
| HAR | CAR | CAJ | HAJ | 0.3° | 0.0° |
| HAJ | CAJ | CAI | HAI | 0.6° | 0.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HAC | CAC | CAK | HAK | 0.4° | 0.0° |
| HAK | CAK | CAL | HAL | 0.3° | 0.0° |
