J2T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | NAJ | sing | 1.29Å | 1.30Å | Aromatic |
| NAA | CAB | doub | 1.33Å | 1.33Å | Aromatic |
| CAB | CAC | sing | 1.41Å | 1.32Å | Aromatic |
| CAB | NAL | sing | 1.37Å | 1.34Å | Aromatic |
| CAC | CAD | doub | 1.36Å | 1.39Å | Aromatic |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAD | CAN | sing | 1.41Å | 1.39Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAP | CAE | doub | 1.39Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAG | CAF | doub | 1.38Å | 1.32Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAR | CAG | sing | 1.38Å | 1.35Å | Aromatic |
| CAG | CAH | sing | 1.51Å | 1.38Å | |
| CAI | CAH | sing | 1.54Å | 1.51Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAS | CAI | sing | 1.54Å | 1.50Å | |
| CAI | HAI | sing | 1.09Å | 1.10Å | |
| CAI | HAIA | sing | 1.09Å | 1.10Å | |
| NAJ | NAK | doub | 1.29Å | 1.30Å | Aromatic |
| NAK | NAL | sing | 1.40Å | 1.30Å | Aromatic |
| NAL | NAM | sing | 1.39Å | 1.24Å | Aromatic |
| NAM | CAN | doub | 1.31Å | 1.33Å | Aromatic |
| CAN | NAO | sing | 1.39Å | 1.32Å | |
| NAO | CAP | sing | 1.40Å | 1.33Å | |
| NAO | HNAO | sing | 0.97Å | 1.00Å | |
| CAP | CAQ | sing | 1.39Å | 1.38Å | Aromatic |
| CAQ | CAR | doub | 1.38Å | 1.34Å | Aromatic |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| CAR | CAS | sing | 1.51Å | 1.41Å | |
| CAS | HAS | sing | 1.09Å | 1.10Å | |
| CAS | HASA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAJ | NAA | CAB | 106.9° | 110.1° |
| NAA | NAJ | NAK | 109.2° | 110.8° |
| NAA | CAB | CAC | 132.7° | 134.0° |
| NAA | CAB | NAL | 108.0° | 106.7° |
| CAC | CAB | NAL | 119.3° | 119.3° |
| CAB | CAC | CAD | 117.4° | 119.1° |
| CAB | CAC | HAC | 121.3° | 120.5° |
| CAB | NAL | NAK | 106.6° | 105.3° |
| CAB | NAL | NAM | 126.5° | 120.3° |
| CAD | CAC | HAC | 121.3° | 120.4° |
| CAC | CAD | CAN | 119.0° | 120.1° |
| CAC | CAD | HAD | 120.5° | 119.9° |
| CAN | CAD | HAD | 120.5° | 120.0° |
| CAD | CAN | NAM | 119.7° | 120.7° |
| CAD | CAN | NAO | 119.1° | 119.6° |
| CAP | CAE | CAF | 119.6° | 119.9° |
| CAP | CAE | HAE | 120.2° | 120.0° |
| CAE | CAP | NAO | 119.0° | 120.1° |
| CAE | CAP | CAQ | 118.7° | 119.8° |
| CAF | CAE | HAE | 120.2° | 120.1° |
| CAE | CAF | CAG | 119.2° | 120.3° |
| CAE | CAF | HAF | 120.4° | 119.8° |
| CAG | CAF | HAF | 120.4° | 119.8° |
| CAF | CAG | CAR | 121.4° | 120.0° |
| CAF | CAG | CAH | 128.9° | 130.3° |
| CAR | CAG | CAH | 109.6° | 109.7° |
| CAG | CAR | CAQ | 121.8° | 119.9° |
| CAG | CAR | CAS | 108.3° | 109.8° |
| CAG | CAH | CAI | 106.1° | 105.2° |
| CAG | CAH | HAH | 110.3° | 110.3° |
| CAG | CAH | HAHA | 110.3° | 110.2° |
| CAI | CAH | HAH | 110.3° | 110.3° |
| CAI | CAH | HAHA | 110.3° | 110.4° |
| CAH | CAI | CAS | 97.1° | 102.4° |
| CAH | CAI | HAI | 112.4° | 110.8° |
| CAH | CAI | HAIA | 112.5° | 110.9° |
| HAH | CAH | HAHA | 109.4° | 110.3° |
| CAS | CAI | HAI | 112.5° | 110.8° |
| CAS | CAI | HAIA | 112.5° | 111.0° |
| CAI | CAS | CAR | 106.2° | 105.1° |
| CAI | CAS | HAS | 110.3° | 110.8° |
| CAI | CAS | HASA | 110.3° | 109.7° |
| HAI | CAI | HAIA | 109.4° | 110.7° |
| NAJ | NAK | NAL | 109.4° | 107.0° |
| NAK | NAL | NAM | 127.0° | 134.4° |
| NAL | NAM | CAN | 118.2° | 120.4° |
| NAM | CAN | NAO | 121.3° | 119.7° |
| CAN | NAO | CAP | 118.6° | 120.0° |
| CAN | NAO | HNAO | 120.7° | 120.0° |
| CAP | NAO | HNAO | 120.7° | 120.0° |
| NAO | CAP | CAQ | 122.2° | 120.1° |
| CAP | CAQ | CAR | 119.3° | 120.1° |
| CAP | CAQ | HAQ | 120.4° | 120.0° |
| CAR | CAQ | HAQ | 120.3° | 119.9° |
| CAQ | CAR | CAS | 129.9° | 130.3° |
| CAR | CAS | HAS | 110.3° | 110.3° |
| CAR | CAS | HASA | 110.3° | 110.3° |
| HAS | CAS | HASA | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAJ | NAA | CAB | CAC | 180.0° | 180.0° |
| NAJ | NAA | CAB | NAL | 0.1° | 0.0° |
| NAA | NAJ | NAK | NAL | 0.0° | 0.0° |
| NAA | CAB | CAC | NAL | 179.8° | 179.9° |
| NAA | CAB | CAC | CAD | 179.9° | 180.0° |
| NAA | CAB | CAC | HAC | 0.1° | 0.1° |
| CAB | NAA | NAJ | NAK | 0.1° | 0.0° |
| NAA | CAB | NAL | NAK | 0.1° | 0.0° |
| NAA | CAB | NAL | NAM | 179.8° | 180.0° |
| CAB | CAC | CAD | HAC | 180.0° | 179.9° |
| CAB | CAC | CAD | CAN | 0.1° | 0.0° |
| CAB | CAC | CAD | HAD | 179.9° | 180.0° |
| CAC | CAB | NAL | NAK | 180.0° | 180.0° |
| CAC | CAB | NAL | NAM | 0.1° | 0.0° |
| NAL | CAB | CAC | CAD | 0.1° | 0.0° |
| NAL | CAB | CAC | HAC | 179.9° | 180.0° |
| CAB | NAL | NAK | NAJ | 0.1° | 0.0° |
| CAB | NAL | NAK | NAM | 179.9° | 180.0° |
| CAB | NAL | NAM | CAN | 0.3° | 0.0° |
| CAC | CAD | CAN | HAD | 180.0° | 180.0° |
| CAC | CAD | CAN | NAM | 0.3° | 0.0° |
| CAC | CAD | CAN | NAO | 179.9° | 180.0° |
| HAC | CAC | CAD | CAN | 180.0° | 180.0° |
| HAC | CAC | CAD | HAD | 0.0° | 0.1° |
| CAD | CAN | NAM | NAL | 0.4° | 0.0° |
| CAD | CAN | NAM | NAO | 179.8° | 180.0° |
| CAD | CAN | NAO | CAP | 178.9° | 174.4° |
| CAD | CAN | NAO | HNAO | 1.1° | 5.7° |
| HAD | CAD | CAN | NAM | 179.7° | 180.0° |
| HAD | CAD | CAN | NAO | 0.1° | 0.1° |
| CAP | CAE | CAF | HAE | 180.0° | 179.8° |
| CAP | CAE | CAF | CAG | 0.9° | 0.2° |
| CAP | CAE | CAF | HAF | 179.1° | 179.9° |
| CAE | CAP | NAO | CAN | 175.9° | 37.0° |
| CAE | CAP | NAO | CAQ | 179.9° | 179.9° |
| CAE | CAP | NAO | HNAO | 4.1° | 143.1° |
| CAE | CAP | CAQ | CAR | 0.2° | 0.6° |
| CAE | CAP | CAQ | HAQ | 179.8° | 179.9° |
| CAE | CAF | CAG | HAF | 180.0° | 179.9° |
| CAE | CAF | CAG | CAR | 0.9° | 0.0° |
| CAE | CAF | CAG | CAH | 179.6° | 179.9° |
| CAF | CAE | CAP | NAO | 179.4° | 180.0° |
| CAF | CAE | CAP | CAQ | 0.5° | 0.1° |
| HAE | CAE | CAF | CAG | 179.1° | 180.0° |
| HAE | CAE | CAF | HAF | 0.9° | 0.0° |
| HAE | CAE | CAP | NAO | 0.6° | 0.2° |
| HAE | CAE | CAP | CAQ | 179.5° | 179.7° |
| CAF | CAG | CAR | CAH | 179.5° | 179.9° |
| CAF | CAG | CAH | CAI | 158.6° | 162.8° |
| CAF | CAG | CAH | HAH | 39.1° | 43.8° |
| CAF | CAG | CAH | HAHA | 81.9° | 78.2° |
| CAF | CAG | CAR | CAQ | 0.6° | 0.5° |
| CAF | CAG | CAR | CAS | 179.2° | 180.0° |
| HAF | CAF | CAG | CAR | 179.0° | 179.9° |
| HAF | CAF | CAG | CAH | 0.4° | 0.0° |
| CAR | CAG | CAH | CAI | 21.9° | 17.2° |
| CAR | CAG | CAH | HAH | 141.4° | 136.1° |
| CAR | CAG | CAH | HAHA | 97.6° | 101.9° |
| CAG | CAR | CAS | CAI | 22.8° | 17.2° |
| CAG | CAR | CAQ | CAP | 0.2° | 0.8° |
| CAG | CAR | CAQ | CAS | 179.7° | 179.4° |
| CAG | CAR | CAQ | HAQ | 179.8° | 179.7° |
| CAG | CAR | CAS | HAS | 142.2° | 136.7° |
| CAG | CAR | CAS | HASA | 96.7° | 101.1° |
| CAG | CAH | CAI | HAH | 119.5° | 118.9° |
| CAG | CAH | CAI | HAHA | 119.5° | 118.9° |
| CAG | CAH | HAH | HAHA | 121.5° | 122.0° |
| CAG | CAH | CAI | CAS | 32.8° | 26.3° |
| CAG | CAH | CAI | HAI | 85.1° | 91.8° |
| CAG | CAH | CAI | HAIA | 150.8° | 144.8° |
| CAH | CAG | CAR | CAQ | 179.8° | 179.5° |
| CAH | CAG | CAR | CAS | 0.4° | 0.0° |
| CAI | CAH | HAH | HAHA | 121.5° | 122.2° |
| CAH | CAI | CAS | HAI | 117.9° | 118.2° |
| CAH | CAI | CAS | HAIA | 117.9° | 118.4° |
| CAH | CAI | HAI | HAIA | 125.8° | 123.5° |
| CAH | CAI | CAS | CAR | 33.0° | 26.3° |
| CAH | CAI | CAS | HAS | 152.4° | 145.5° |
| CAH | CAI | CAS | HASA | 86.5° | 92.3° |
| HAH | CAH | CAI | CAS | 152.3° | 145.3° |
| HAH | CAH | CAI | HAI | 34.3° | 27.1° |
| HAH | CAH | CAI | HAIA | 89.8° | 96.2° |
| HAHA | CAH | CAI | CAS | 86.7° | 92.6° |
| HAHA | CAH | CAI | HAI | 155.4° | 149.2° |
| HAHA | CAH | CAI | HAIA | 31.3° | 25.9° |
| CAS | CAI | HAI | HAIA | 125.8° | 123.5° |
| CAI | CAS | CAR | CAQ | 157.5° | 163.4° |
| CAI | CAS | CAR | HAS | 119.5° | 119.5° |
| CAI | CAS | CAR | HASA | 119.5° | 118.3° |
| CAI | CAS | HAS | HASA | 121.5° | 121.8° |
| HAI | CAI | CAS | CAR | 85.0° | 91.9° |
| HAI | CAI | CAS | HAS | 34.5° | 27.3° |
| HAI | CAI | CAS | HASA | 155.5° | 149.5° |
| HAIA | CAI | CAS | CAR | 150.9° | 144.7° |
| HAIA | CAI | CAS | HAS | 89.6° | 96.1° |
| HAIA | CAI | CAS | HASA | 31.4° | 26.1° |
| NAJ | NAK | NAL | NAM | 179.8° | 180.0° |
| NAK | NAL | NAM | CAN | 179.8° | 180.0° |
| NAL | NAM | CAN | NAO | 179.8° | 180.0° |
| NAM | CAN | NAO | CAP | 0.9° | 5.6° |
| NAM | CAN | NAO | HNAO | 179.1° | 174.3° |
| CAN | NAO | CAP | HNAO | 180.0° | 179.9° |
| CAN | NAO | CAP | CAQ | 4.2° | 143.2° |
| NAO | CAP | CAQ | CAR | 179.7° | 179.5° |
| NAO | CAP | CAQ | HAQ | 0.3° | 0.0° |
| HNAO | NAO | CAP | CAQ | 175.8° | 36.8° |
| CAP | CAQ | CAR | HAQ | 180.0° | 179.4° |
| CAP | CAQ | CAR | CAS | 179.5° | 179.8° |
| CAQ | CAR | CAS | HAS | 38.0° | 43.9° |
| CAQ | CAR | CAS | HASA | 83.1° | 78.3° |
| HAQ | CAQ | CAR | CAS | 0.5° | 0.4° |
| CAR | CAS | HAS | HASA | 121.6° | 122.2° |
