G9G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | N11 | sing | 1.47Å | 1.46Å | |
| N11 | CAI | sing | 1.47Å | 1.48Å | |
| N11 | CAJ | sing | 1.47Å | 1.48Å | |
| CAL | N12 | sing | 1.47Å | 1.50Å | |
| CAK | N12 | sing | 1.47Å | 1.48Å | |
| N12 | CAO | sing | 1.39Å | 1.42Å | |
| CAQ | N13 | sing | 1.39Å | 1.42Å | |
| N13 | CAP | sing | 1.34Å | 1.41Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| CAO | N14 | doub | 1.32Å | 1.34Å | Aromatic |
| N14 | CAT | sing | 1.33Å | 1.35Å | Aromatic |
| CAA | HAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAA | sing | 1.09Å | 1.10Å | |
| CAA | HAAB | sing | 1.09Å | 1.10Å | |
| CAP | OAB | doub | 1.22Å | 1.25Å | |
| CAD | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAC | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAG | CAD | sing | 1.38Å | 1.38Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAO | CAE | sing | 1.40Å | 1.39Å | Aromatic |
| CAE | CAH | doub | 1.38Å | 1.40Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAR | CAF | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | CAS | doub | 1.39Å | 1.40Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAH | CAQ | sing | 1.40Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAI | CAK | sing | 1.53Å | 1.54Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| CAJ | CAL | sing | 1.53Å | 1.54Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| CAJ | HAJA | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAK | HAKA | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| CAL | HALA | sing | 1.09Å | 1.10Å | |
| CAR | CAP | sing | 1.47Å | 1.40Å | |
| CAT | CAQ | doub | 1.40Å | 1.39Å | Aromatic |
| CAS | CAR | sing | 1.41Å | 1.41Å | Aromatic |
| CAT | CAS | sing | 1.48Å | 1.39Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | N11 | CAI | 113.2° | 111.0° |
| CAA | N11 | CAJ | 107.8° | 111.0° |
| N11 | CAA | HAA | 109.5° | 109.5° |
| N11 | CAA | HAAA | 109.5° | 109.5° |
| N11 | CAA | HAAB | 109.5° | 109.5° |
| CAI | N11 | CAJ | 113.4° | 110.9° |
| N11 | CAI | CAK | 107.8° | 109.4° |
| N11 | CAI | HAI | 110.1° | 109.5° |
| N11 | CAI | HAIA | 110.0° | 109.5° |
| N11 | CAJ | CAL | 113.8° | 109.4° |
| N11 | CAJ | HAJ | 108.1° | 109.5° |
| N11 | CAJ | HAJA | 108.0° | 109.5° |
| CAL | N12 | CAK | 119.5° | 110.9° |
| CAL | N12 | CAO | 119.7° | 111.0° |
| N12 | CAL | CAJ | 113.3° | 109.4° |
| N12 | CAL | HAL | 108.2° | 109.5° |
| N12 | CAL | HALA | 108.2° | 109.4° |
| CAK | N12 | CAO | 120.6° | 111.0° |
| N12 | CAK | CAI | 109.0° | 109.4° |
| N12 | CAK | HAK | 109.6° | 109.5° |
| N12 | CAK | HAKA | 109.6° | 109.5° |
| N12 | CAO | N14 | 118.7° | 119.5° |
| N12 | CAO | CAE | 122.5° | 119.6° |
| CAQ | N13 | CAP | 120.2° | 122.2° |
| CAQ | N13 | HN13 | 119.9° | 118.9° |
| N13 | CAQ | CAH | 121.8° | 120.0° |
| N13 | CAQ | CAT | 120.1° | 121.1° |
| CAP | N13 | HN13 | 119.9° | 118.9° |
| N13 | CAP | OAB | 120.7° | 119.9° |
| N13 | CAP | CAR | 118.6° | 120.3° |
| CAO | N14 | CAT | 122.0° | 121.6° |
| N14 | CAO | CAE | 118.8° | 120.9° |
| N14 | CAT | CAQ | 121.5° | 120.6° |
| N14 | CAT | CAS | 118.7° | 120.5° |
| HAA | CAA | HAAA | 109.5° | 109.4° |
| HAA | CAA | HAAB | 109.4° | 109.5° |
| HAAA | CAA | HAAB | 109.5° | 109.5° |
| OAB | CAP | CAR | 120.7° | 119.9° |
| CAD | CAC | CAF | 121.8° | 120.6° |
| CAD | CAC | HAC | 119.1° | 119.7° |
| CAC | CAD | CAG | 119.9° | 120.6° |
| CAC | CAD | HAD | 120.0° | 119.7° |
| CAF | CAC | HAC | 119.1° | 119.7° |
| CAC | CAF | CAR | 118.9° | 119.7° |
| CAC | CAF | HAF | 120.6° | 120.2° |
| CAG | CAD | HAD | 120.1° | 119.7° |
| CAD | CAG | CAS | 118.5° | 119.7° |
| CAD | CAG | HAG | 120.8° | 120.2° |
| CAO | CAE | CAH | 120.6° | 119.5° |
| CAO | CAE | HAE | 119.7° | 120.3° |
| CAH | CAE | HAE | 119.7° | 120.3° |
| CAE | CAH | CAQ | 118.9° | 118.6° |
| CAE | CAH | HAH | 120.5° | 120.7° |
| CAR | CAF | HAF | 120.6° | 120.2° |
| CAF | CAR | CAP | 119.7° | 121.4° |
| CAF | CAR | CAS | 119.4° | 119.7° |
| CAS | CAG | HAG | 120.7° | 120.1° |
| CAG | CAS | CAR | 121.5° | 119.8° |
| CAG | CAS | CAT | 118.0° | 121.6° |
| CAQ | CAH | HAH | 120.5° | 120.8° |
| CAH | CAQ | CAT | 118.1° | 118.9° |
| CAK | CAI | HAI | 110.0° | 109.5° |
| CAK | CAI | HAIA | 110.0° | 109.4° |
| CAI | CAK | HAK | 109.6° | 109.5° |
| CAI | CAK | HAKA | 109.6° | 109.5° |
| HAI | CAI | HAIA | 108.9° | 109.5° |
| CAL | CAJ | HAJ | 108.0° | 109.5° |
| CAL | CAJ | HAJA | 108.1° | 109.5° |
| CAJ | CAL | HAL | 108.2° | 109.5° |
| CAJ | CAL | HALA | 108.2° | 109.5° |
| HAJ | CAJ | HAJA | 110.9° | 109.4° |
| HAK | CAK | HAKA | 109.3° | 109.5° |
| HAL | CAL | HALA | 110.7° | 109.5° |
| CAP | CAR | CAS | 120.9° | 118.9° |
| CAQ | CAT | CAS | 119.8° | 118.9° |
| CAR | CAS | CAT | 120.4° | 118.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | N11 | CAI | CAJ | 123.2° | 123.8° |
| N11 | CAA | HAA | HAAA | 120.0° | 120.0° |
| N11 | CAA | HAA | HAAB | 120.0° | 120.0° |
| N11 | CAA | HAAA | HAAB | 120.0° | 120.0° |
| CAA | N11 | CAI | CAK | 171.3° | 64.5° |
| CAA | N11 | CAI | HAI | 51.3° | 175.5° |
| CAA | N11 | CAI | HAIA | 68.7° | 55.4° |
| CAA | N11 | CAJ | CAL | 145.2° | 64.5° |
| CAA | N11 | CAJ | HAJ | 25.3° | 55.4° |
| CAA | N11 | CAJ | HAJA | 94.8° | 175.4° |
| N11 | CAI | CAK | N12 | 58.7° | 58.4° |
| CAI | N11 | CAA | HAA | 180.0° | 60.0° |
| CAI | N11 | CAA | HAAA | 60.0° | 180.0° |
| CAI | N11 | CAA | HAAB | 60.0° | 60.0° |
| N11 | CAI | CAK | HAI | 120.0° | 120.0° |
| N11 | CAI | CAK | HAIA | 120.0° | 119.9° |
| N11 | CAI | HAI | HAIA | 120.7° | 120.1° |
| CAI | N11 | CAJ | CAL | 19.1° | 59.3° |
| CAI | N11 | CAJ | HAJ | 100.9° | 179.3° |
| CAI | N11 | CAJ | HAJA | 139.1° | 60.7° |
| N11 | CAI | CAK | HAK | 178.7° | 61.6° |
| N11 | CAI | CAK | HAKA | 61.3° | 178.4° |
| N11 | CAJ | CAL | N12 | 30.4° | 58.4° |
| CAJ | N11 | CAA | HAA | 53.8° | 176.2° |
| CAJ | N11 | CAA | HAAA | 66.2° | 56.2° |
| CAJ | N11 | CAA | HAAB | 173.8° | 63.8° |
| CAJ | N11 | CAI | CAK | 65.5° | 59.3° |
| CAJ | N11 | CAI | HAI | 174.5° | 60.7° |
| CAJ | N11 | CAI | HAIA | 54.5° | 179.2° |
| N11 | CAJ | CAL | HAJ | 120.0° | 120.0° |
| N11 | CAJ | CAL | HAJA | 120.0° | 120.1° |
| N11 | CAJ | HAJ | HAJA | 118.2° | 120.0° |
| N11 | CAJ | CAL | HAL | 150.4° | 178.4° |
| N11 | CAJ | CAL | HALA | 89.6° | 61.5° |
| CAL | N12 | CAK | CAO | 176.2° | 123.9° |
| CAL | N12 | CAO | N14 | 0.9° | 123.9° |
| CAL | N12 | CAO | CAE | 178.8° | 56.1° |
| CAL | N12 | CAK | CAI | 8.8° | 59.3° |
| N12 | CAL | CAJ | HAL | 120.0° | 120.0° |
| N12 | CAL | CAJ | HALA | 120.0° | 119.9° |
| N12 | CAL | CAJ | HAJ | 150.4° | 178.3° |
| N12 | CAL | CAJ | HAJA | 89.6° | 61.7° |
| CAL | N12 | CAK | HAK | 128.8° | 60.7° |
| CAL | N12 | CAK | HAKA | 111.2° | 179.3° |
| N12 | CAL | HAL | HALA | 118.4° | 120.0° |
| CAK | N12 | CAO | N14 | 175.3° | 0.0° |
| CAK | N12 | CAO | CAE | 2.6° | 180.0° |
| N12 | CAK | CAI | HAK | 120.0° | 120.0° |
| N12 | CAK | CAI | HAKA | 120.0° | 120.0° |
| N12 | CAK | CAI | HAI | 178.8° | 61.6° |
| N12 | CAK | CAI | HAIA | 61.3° | 178.4° |
| CAK | N12 | CAL | CAJ | 35.8° | 59.3° |
| N12 | CAK | HAK | HAKA | 120.2° | 120.0° |
| CAK | N12 | CAL | HAL | 155.8° | 179.3° |
| CAK | N12 | CAL | HALA | 84.2° | 60.7° |
| N12 | CAO | N14 | CAE | 177.9° | 180.0° |
| N12 | CAO | N14 | CAT | 178.3° | 180.0° |
| N12 | CAO | CAE | CAH | 179.5° | 180.0° |
| N12 | CAO | CAE | HAE | 0.5° | 0.1° |
| CAO | N12 | CAK | CAI | 167.4° | 176.8° |
| CAO | N12 | CAL | CAJ | 147.9° | 176.8° |
| CAO | N12 | CAK | HAK | 47.4° | 63.2° |
| CAO | N12 | CAK | HAKA | 72.5° | 56.8° |
| CAO | N12 | CAL | HAL | 27.9° | 56.8° |
| CAO | N12 | CAL | HALA | 92.1° | 63.3° |
| CAQ | N13 | CAP | HN13 | 180.0° | 179.7° |
| N13 | CAQ | CAT | N14 | 179.8° | 180.0° |
| CAQ | N13 | CAP | OAB | 179.4° | 179.7° |
| N13 | CAQ | CAH | CAE | 178.5° | 180.0° |
| N13 | CAQ | CAH | CAT | 178.1° | 180.0° |
| N13 | CAQ | CAH | HAH | 1.5° | 0.0° |
| CAQ | N13 | CAP | CAR | 1.4° | 0.3° |
| N13 | CAQ | CAT | CAS | 0.8° | 0.5° |
| N13 | CAP | OAB | CAR | 179.2° | 180.0° |
| N13 | CAP | CAR | CAF | 180.0° | 180.0° |
| CAP | N13 | CAQ | CAH | 178.7° | 180.0° |
| CAP | N13 | CAQ | CAT | 0.6° | 0.0° |
| N13 | CAP | CAR | CAS | 3.2° | 0.0° |
| HN13 | N13 | CAP | OAB | 0.6° | 0.0° |
| HN13 | N13 | CAQ | CAH | 1.3° | 0.3° |
| HN13 | N13 | CAP | CAR | 178.6° | 180.0° |
| HN13 | N13 | CAQ | CAT | 179.4° | 179.7° |
| N14 | CAO | CAE | CAH | 1.7° | 0.0° |
| N14 | CAO | CAE | HAE | 178.3° | 179.9° |
| CAO | N14 | CAT | CAQ | 1.3° | 0.0° |
| CAO | N14 | CAT | CAS | 179.3° | 179.4° |
| CAT | N14 | CAO | CAE | 0.4° | 0.0° |
| N14 | CAT | CAS | CAG | 0.4° | 0.3° |
| N14 | CAT | CAQ | CAH | 1.7° | 0.0° |
| N14 | CAT | CAQ | CAS | 179.4° | 179.4° |
| N14 | CAT | CAS | CAR | 178.4° | 179.8° |
| HAA | CAA | HAAA | HAAB | 119.9° | 120.0° |
| OAB | CAP | CAR | CAF | 0.8° | 0.0° |
| OAB | CAP | CAR | CAS | 177.7° | 180.0° |
| CAD | CAC | CAF | HAC | 180.0° | 180.0° |
| CAC | CAD | CAG | HAD | 180.0° | 180.0° |
| CAD | CAC | CAF | CAR | 1.7° | 0.0° |
| CAD | CAC | CAF | HAF | 178.3° | 180.0° |
| CAC | CAD | CAG | CAS | 0.2° | 0.0° |
| CAC | CAD | CAG | HAG | 179.8° | 180.0° |
| CAF | CAC | CAD | CAG | 0.5° | 0.0° |
| CAF | CAC | CAD | HAD | 179.5° | 180.0° |
| CAC | CAF | CAR | HAF | 180.0° | 180.0° |
| CAC | CAF | CAR | CAP | 179.4° | 180.0° |
| CAC | CAF | CAR | CAS | 2.5° | 0.0° |
| HAC | CAC | CAD | CAG | 179.5° | 180.0° |
| HAC | CAC | CAD | HAD | 0.5° | 0.0° |
| HAC | CAC | CAF | CAR | 178.3° | 180.0° |
| HAC | CAC | CAF | HAF | 1.7° | 0.0° |
| CAD | CAG | CAS | HAG | 180.0° | 180.0° |
| CAD | CAG | CAS | CAR | 1.0° | 0.1° |
| CAD | CAG | CAS | CAT | 179.0° | 179.5° |
| HAD | CAD | CAG | CAS | 179.9° | 180.0° |
| HAD | CAD | CAG | HAG | 0.1° | 0.0° |
| CAO | CAE | CAH | HAE | 180.0° | 179.9° |
| CAO | CAE | CAH | CAQ | 1.3° | 0.0° |
| CAO | CAE | CAH | HAH | 178.7° | 180.0° |
| CAE | CAH | CAQ | HAH | 180.0° | 180.0° |
| CAE | CAH | CAQ | CAT | 0.4° | 0.0° |
| HAE | CAE | CAH | CAQ | 178.7° | 180.0° |
| HAE | CAE | CAH | HAH | 1.3° | 0.1° |
| CAF | CAR | CAS | CAG | 2.2° | 0.1° |
| CAF | CAR | CAP | CAS | 176.9° | 180.0° |
| CAF | CAR | CAS | CAT | 179.9° | 179.5° |
| HAF | CAF | CAR | CAP | 0.6° | 0.0° |
| HAF | CAF | CAR | CAS | 177.5° | 180.0° |
| CAG | CAS | CAR | CAP | 179.1° | 180.0° |
| CAG | CAS | CAT | CAQ | 179.0° | 179.7° |
| CAG | CAS | CAR | CAT | 177.9° | 179.5° |
| HAG | CAG | CAS | CAR | 179.0° | 179.9° |
| HAG | CAG | CAS | CAT | 1.0° | 0.5° |
| CAH | CAQ | CAT | CAS | 179.0° | 179.5° |
| HAH | CAH | CAQ | CAT | 179.6° | 180.0° |
| CAK | CAI | HAI | HAIA | 120.7° | 120.0° |
| CAI | CAK | HAK | HAKA | 120.2° | 120.1° |
| HAI | CAI | CAK | HAK | 61.2° | 178.4° |
| HAI | CAI | CAK | HAKA | 58.8° | 58.3° |
| HAIA | CAI | CAK | HAK | 58.7° | 58.4° |
| HAIA | CAI | CAK | HAKA | 178.7° | 61.7° |
| CAL | CAJ | HAJ | HAJA | 118.2° | 120.0° |
| CAJ | CAL | HAL | HALA | 118.4° | 120.1° |
| HAJ | CAJ | CAL | HAL | 89.7° | 61.7° |
| HAJ | CAJ | CAL | HALA | 30.4° | 58.4° |
| HAJA | CAJ | CAL | HAL | 30.4° | 58.3° |
| HAJA | CAJ | CAL | HALA | 150.4° | 178.4° |
| CAP | CAR | CAS | CAT | 3.0° | 0.5° |
| CAQ | CAT | CAS | CAR | 1.0° | 0.8° |
