36G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAE | sing | 1.53Å | 1.45Å | |
| CAF | NAH | sing | 1.47Å | 1.48Å | |
| CAE | CA0 | sing | 1.53Å | 1.51Å | |
| CAC | CAB | sing | 1.38Å | 1.39Å | Aromatic |
| CAC | CAK | doub | 1.39Å | 1.37Å | Aromatic |
| CAC | CA0 | sing | 1.51Å | 1.42Å | |
| CAB | CAA | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAI | sing | 1.38Å | 1.39Å | Aromatic |
| CAI | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAK | sing | 1.39Å | 1.40Å | Aromatic |
| CAK | NAH | sing | 1.40Å | 1.33Å | |
| CAO | OAT | doub | 1.22Å | 1.23Å | |
| CAO | NAP | sing | 1.35Å | 1.36Å | |
| CAO | NAH | sing | 1.35Å | 1.35Å | |
| NAP | CAQ | sing | 1.40Å | 1.35Å | |
| CAQ | CAU | sing | 1.39Å | 1.38Å | Aromatic |
| CAQ | CAR | doub | 1.39Å | 1.38Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAW | CAS | doub | 1.38Å | 1.37Å | Aromatic |
| CAS | CAR | sing | 1.39Å | 1.38Å | Aromatic |
| CAR | OAG | sing | 1.36Å | 1.36Å | |
| OAG | CAH | sing | 1.43Å | 1.43Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CA0 | HA01 | sing | 1.09Å | 1.10Å | |
| CA0 | HA02 | sing | 1.09Å | 1.10Å | |
| CAB | HAB | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAP | HAP | sing | 0.97Å | 1.00Å | |
| CAU | HAU | sing | 1.08Å | 1.08Å | |
| CAV | HAV | sing | 1.08Å | 1.08Å | |
| CAW | HAW | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAH | HAH3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAF | NAH | 104.3° | 107.7° |
| CAF | CAE | CA0 | 107.2° | 108.9° |
| CAE | CAF | HAF1 | 110.7° | 109.8° |
| CAE | CAF | HAF2 | 110.8° | 109.8° |
| CAF | CAE | HAE1 | 110.1° | 109.5° |
| CAF | CAE | HAE2 | 110.0° | 109.5° |
| CAF | NAH | CAK | 114.0° | 118.9° |
| CAF | NAH | CAO | 119.5° | 120.5° |
| NAH | CAF | HAF1 | 110.7° | 109.7° |
| NAH | CAF | HAF2 | 110.7° | 109.8° |
| CAE | CA0 | CAC | 115.5° | 110.5° |
| CA0 | CAE | HAE1 | 110.0° | 109.6° |
| CA0 | CAE | HAE2 | 110.1° | 109.6° |
| CAE | CA0 | HA01 | 108.0° | 109.3° |
| CAE | CA0 | HA02 | 107.9° | 109.3° |
| CAB | CAC | CAK | 118.0° | 119.5° |
| CAB | CAC | CA0 | 118.8° | 119.0° |
| CAC | CAB | CAA | 122.9° | 120.3° |
| CAC | CAB | HAB | 118.5° | 119.8° |
| CAK | CAC | CA0 | 123.2° | 121.5° |
| CAC | CAK | CAJ | 120.4° | 120.1° |
| CAC | CAK | NAH | 115.4° | 120.8° |
| CAC | CA0 | HA01 | 107.9° | 109.3° |
| CAC | CA0 | HA02 | 107.9° | 109.3° |
| CAB | CAA | CAI | 118.4° | 120.1° |
| CAA | CAB | HAB | 118.6° | 119.9° |
| CAB | CAA | HAA | 120.8° | 119.9° |
| CAA | CAI | CAJ | 119.3° | 119.9° |
| CAI | CAA | HAA | 120.8° | 120.0° |
| CAA | CAI | HAI | 120.3° | 120.0° |
| CAI | CAJ | CAK | 121.0° | 120.0° |
| CAJ | CAI | HAI | 120.4° | 120.0° |
| CAI | CAJ | HAJ | 119.5° | 120.0° |
| CAJ | CAK | NAH | 124.2° | 119.1° |
| CAK | CAJ | HAJ | 119.5° | 120.0° |
| CAK | NAH | CAO | 126.4° | 120.5° |
| OAT | CAO | NAP | 123.2° | 120.0° |
| OAT | CAO | NAH | 117.5° | 120.0° |
| NAP | CAO | NAH | 119.2° | 120.0° |
| CAO | NAP | CAQ | 126.0° | 120.0° |
| CAO | NAP | HAP | 117.0° | 120.0° |
| NAP | CAQ | CAU | 129.2° | 120.1° |
| NAP | CAQ | CAR | 111.1° | 120.1° |
| CAQ | NAP | HAP | 117.0° | 120.0° |
| CAU | CAQ | CAR | 119.8° | 119.8° |
| CAQ | CAU | CAV | 117.7° | 120.0° |
| CAQ | CAU | HAU | 121.1° | 120.0° |
| CAQ | CAR | CAS | 123.3° | 119.8° |
| CAQ | CAR | OAG | 112.3° | 120.1° |
| CAU | CAV | CAW | 121.6° | 120.2° |
| CAV | CAU | HAU | 121.2° | 120.0° |
| CAU | CAV | HAV | 119.2° | 119.9° |
| CAV | CAW | CAS | 120.9° | 120.2° |
| CAW | CAV | HAV | 119.2° | 120.0° |
| CAV | CAW | HAW | 119.5° | 119.9° |
| CAW | CAS | CAR | 116.8° | 120.0° |
| CAS | CAW | HAW | 119.5° | 119.9° |
| CAW | CAS | HAS | 121.6° | 120.0° |
| CAS | CAR | OAG | 124.4° | 120.1° |
| CAR | CAS | HAS | 121.6° | 120.0° |
| CAR | OAG | CAH | 116.7° | 117.0° |
| OAG | CAH | HAH1 | 109.5° | 109.5° |
| OAG | CAH | HAH2 | 109.4° | 109.5° |
| OAG | CAH | HAH3 | 109.5° | 109.5° |
| HAF1 | CAF | HAF2 | 109.5° | 109.9° |
| HAE1 | CAE | HAE2 | 109.4° | 109.7° |
| HA01 | CA0 | HA02 | 109.5° | 109.2° |
| HAH1 | CAH | HAH2 | 109.5° | 109.5° |
| HAH1 | CAH | HAH3 | 109.5° | 109.4° |
| HAH2 | CAH | HAH3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAF | NAH | HAF1 | 119.2° | 119.5° |
| CAE | CAF | NAH | HAF2 | 119.2° | 119.6° |
| CAF | CAE | CA0 | HAE1 | 119.7° | 119.8° |
| CAF | CAE | CA0 | HAE2 | 119.7° | 119.8° |
| CAF | CAE | CA0 | CAC | 30.9° | 51.5° |
| CAE | CAF | NAH | CAK | 70.7° | 44.7° |
| CAE | CAF | NAH | CAO | 107.4° | 135.4° |
| CAE | CAF | HAF1 | HAF2 | 122.4° | 120.9° |
| CAF | CAE | HAE1 | HAE2 | 121.0° | 120.2° |
| CAF | CAE | CA0 | HA01 | 151.8° | 171.8° |
| CAF | CAE | CA0 | HA02 | 90.0° | 68.9° |
| NAH | CAF | CAE | CA0 | 62.9° | 63.2° |
| CAF | NAH | CAK | CAC | 36.3° | 13.7° |
| CAF | NAH | CAK | CAJ | 141.3° | 166.7° |
| CAF | NAH | CAK | CAO | 177.9° | 179.9° |
| CAF | NAH | CAO | OAT | 3.0° | 176.6° |
| CAF | NAH | CAO | NAP | 179.8° | 3.4° |
| NAH | CAF | HAF1 | HAF2 | 122.4° | 120.8° |
| NAH | CAF | CAE | HAE1 | 56.8° | 56.7° |
| NAH | CAF | CAE | HAE2 | 177.5° | 177.0° |
| CAE | CA0 | CAC | CAB | 176.9° | 159.4° |
| CAE | CA0 | CAC | CAK | 3.1° | 20.9° |
| CAE | CA0 | CAC | HA01 | 120.9° | 120.3° |
| CAE | CA0 | CAC | HA02 | 120.9° | 120.3° |
| CA0 | CAE | CAF | HAF1 | 56.3° | 56.3° |
| CA0 | CAE | CAF | HAF2 | 177.9° | 177.3° |
| CA0 | CAE | HAE1 | HAE2 | 121.0° | 120.4° |
| CAE | CA0 | HA01 | HA02 | 117.3° | 119.5° |
| CAB | CAC | CAK | CA0 | 180.0° | 179.7° |
| CAC | CAB | CAA | HAB | 180.0° | 179.9° |
| CAC | CAB | CAA | CAI | 0.3° | 0.1° |
| CAB | CAC | CAK | CAJ | 1.6° | 0.1° |
| CAB | CAC | CAK | NAH | 179.3° | 179.5° |
| CAB | CAC | CA0 | HA01 | 62.2° | 39.1° |
| CAB | CAC | CA0 | HA02 | 56.1° | 80.3° |
| CAC | CAB | CAA | HAA | 179.7° | 180.0° |
| CAK | CAC | CAB | CAA | 0.6° | 0.1° |
| CAC | CAK | CAJ | CAI | 2.2° | 0.1° |
| CAC | CAK | CAJ | NAH | 177.5° | 179.6° |
| CAC | CAK | NAH | CAO | 141.5° | 166.4° |
| CAK | CAC | CA0 | HA01 | 117.8° | 141.2° |
| CAK | CAC | CA0 | HA02 | 123.9° | 99.4° |
| CAK | CAC | CAB | HAB | 179.4° | 179.9° |
| CAC | CAK | CAJ | HAJ | 177.8° | 179.9° |
| CA0 | CAC | CAB | CAA | 179.4° | 179.6° |
| CA0 | CAC | CAK | CAJ | 178.4° | 179.6° |
| CA0 | CAC | CAK | NAH | 0.7° | 0.8° |
| CAC | CA0 | CAE | HAE1 | 88.8° | 68.3° |
| CAC | CA0 | CAE | HAE2 | 150.5° | 171.2° |
| CAC | CA0 | HA01 | HA02 | 117.2° | 119.5° |
| CA0 | CAC | CAB | HAB | 0.6° | 0.3° |
| CAB | CAA | CAI | HAA | 180.0° | 179.9° |
| CAB | CAA | CAI | CAJ | 0.9° | 0.0° |
| CAB | CAA | CAI | HAI | 179.1° | 180.0° |
| CAA | CAI | CAJ | HAI | 180.0° | 180.0° |
| CAA | CAI | CAJ | CAK | 1.8° | 0.0° |
| CAI | CAA | CAB | HAB | 179.7° | 180.0° |
| CAA | CAI | CAJ | HAJ | 178.2° | 180.0° |
| CAI | CAJ | CAK | HAJ | 180.0° | 180.0° |
| CAI | CAJ | CAK | NAH | 179.7° | 179.6° |
| CAJ | CAI | CAA | HAA | 179.1° | 179.9° |
| CAJ | CAK | NAH | CAO | 40.9° | 13.3° |
| CAK | CAJ | CAI | HAI | 178.2° | 180.0° |
| CAK | NAH | CAO | OAT | 179.2° | 3.3° |
| CAK | NAH | CAO | NAP | 2.4° | 176.6° |
| CAK | NAH | CAF | HAF1 | 48.5° | 74.9° |
| CAK | NAH | CAF | HAF2 | 170.1° | 164.2° |
| NAH | CAK | CAJ | HAJ | 0.3° | 0.5° |
| OAT | CAO | NAP | NAH | 176.6° | 180.0° |
| OAT | CAO | NAP | CAQ | 0.2° | 4.4° |
| OAT | CAO | NAP | HAP | 179.9° | 175.6° |
| CAO | NAP | CAQ | HAP | 180.0° | 180.0° |
| CAO | NAP | CAQ | CAU | 8.5° | 28.1° |
| CAO | NAP | CAQ | CAR | 172.0° | 152.2° |
| NAH | CAO | NAP | CAQ | 176.4° | 175.6° |
| CAO | NAH | CAF | HAF1 | 133.5° | 105.1° |
| CAO | NAH | CAF | HAF2 | 11.8° | 15.8° |
| NAH | CAO | NAP | HAP | 3.5° | 4.5° |
| NAP | CAQ | CAU | CAR | 179.4° | 179.7° |
| NAP | CAQ | CAU | CAV | 179.3° | 180.0° |
| NAP | CAQ | CAR | CAS | 179.1° | 179.7° |
| NAP | CAQ | CAR | OAG | 0.0° | 0.0° |
| NAP | CAQ | CAU | HAU | 0.7° | 0.0° |
| CAQ | CAU | CAV | HAU | 180.0° | 179.9° |
| CAQ | CAU | CAV | CAW | 0.0° | 0.0° |
| CAU | CAQ | CAR | CAS | 0.4° | 0.5° |
| CAU | CAQ | CAR | OAG | 179.5° | 179.7° |
| CAU | CAQ | NAP | HAP | 171.5° | 151.9° |
| CAQ | CAU | CAV | HAV | 180.0° | 180.0° |
| CAR | CAQ | CAU | CAV | 0.1° | 0.3° |
| CAQ | CAR | CAS | CAW | 0.5° | 0.5° |
| CAQ | CAR | CAS | OAG | 179.0° | 179.8° |
| CAQ | CAR | OAG | CAH | 166.8° | 180.0° |
| CAR | CAQ | NAP | HAP | 7.9° | 27.9° |
| CAR | CAQ | CAU | HAU | 179.9° | 179.8° |
| CAQ | CAR | CAS | HAS | 179.5° | 179.7° |
| CAU | CAV | CAW | HAV | 180.0° | 180.0° |
| CAU | CAV | CAW | CAS | 0.0° | 0.0° |
| CAU | CAV | CAW | HAW | 180.0° | 180.0° |
| CAV | CAW | CAS | HAW | 180.0° | 179.9° |
| CAV | CAW | CAS | CAR | 0.3° | 0.3° |
| CAW | CAV | CAU | HAU | 180.0° | 180.0° |
| CAV | CAW | CAS | HAS | 179.7° | 180.0° |
| CAW | CAS | CAR | HAS | 180.0° | 179.7° |
| CAW | CAS | CAR | OAG | 179.4° | 179.7° |
| CAS | CAW | CAV | HAV | 180.0° | 180.0° |
| CAS | CAR | OAG | CAH | 14.2° | 0.3° |
| CAR | CAS | CAW | HAW | 179.8° | 179.8° |
| OAG | CAR | CAS | HAS | 0.6° | 0.0° |
| CAR | OAG | CAH | HAH1 | 180.0° | 180.0° |
| CAR | OAG | CAH | HAH2 | 60.0° | 60.0° |
| CAR | OAG | CAH | HAH3 | 60.0° | 60.0° |
| OAG | CAH | HAH1 | HAH2 | 120.0° | 120.0° |
| OAG | CAH | HAH1 | HAH3 | 120.0° | 120.0° |
| OAG | CAH | HAH2 | HAH3 | 120.0° | 120.1° |
| HAF1 | CAF | CAE | HAE1 | 176.0° | 176.2° |
| HAF1 | CAF | CAE | HAE2 | 63.4° | 63.5° |
| HAF2 | CAF | CAE | HAE1 | 62.4° | 62.9° |
| HAF2 | CAF | CAE | HAE2 | 58.3° | 57.5° |
| HAE1 | CAE | CA0 | HA01 | 32.1° | 52.0° |
| HAE1 | CAE | CA0 | HA02 | 150.4° | 171.3° |
| HAE2 | CAE | CA0 | HA01 | 88.6° | 68.5° |
| HAE2 | CAE | CA0 | HA02 | 29.7° | 50.9° |
| HAB | CAB | CAA | HAA | 0.3° | 0.1° |
| HAA | CAA | CAI | HAI | 0.9° | 0.1° |
| HAI | CAI | CAJ | HAJ | 1.8° | 0.0° |
| HAU | CAU | CAV | HAV | 0.0° | 0.0° |
| HAV | CAV | CAW | HAW | 0.0° | 0.1° |
| HAW | CAW | CAS | HAS | 0.3° | 0.0° |
| HAH1 | CAH | HAH2 | HAH3 | 120.0° | 119.9° |
