G97
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAW | sing | 1.39Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAE | CAD | sing | 1.38Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAD | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAF | CAI | sing | 1.38Å | 1.40Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAW | CAI | doub | 1.39Å | 1.40Å | Aromatic |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAW | C2 | sing | 1.48Å | 1.39Å | Aromatic |
| N1 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.35Å | Aromatic |
| N3 | C4 | doub | 1.34Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C4 | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAM | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAK | CAU | sing | 1.40Å | 1.41Å | Aromatic |
| CAU | NAQ | sing | 1.40Å | 1.35Å | |
| NAQ | CAT | sing | 1.35Å | 1.34Å | |
| NAQ | HNAQ | sing | 0.97Å | 1.00Å | |
| OAB | CAT | doub | 1.22Å | 1.24Å | |
| CAT | CAC | sing | 1.47Å | 1.40Å | |
| CAC | CAA | doub | 1.33Å | 1.39Å | |
| CAC | HAC | sing | 1.08Å | 1.08Å | |
| CAA | HAA | sing | 1.08Å | 1.08Å | |
| CAA | HAAA | sing | 1.08Å | 1.08Å | |
| CAL | CAK | doub | 1.36Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| C5 | CAL | sing | 1.40Å | 1.40Å | Aromatic |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| C6 | C5 | doub | 1.42Å | 1.41Å | Aromatic |
| NAR | C6 | sing | 1.38Å | 1.35Å | |
| CAV | NAR | sing | 1.40Å | 1.36Å | |
| NAR | HNAR | sing | 0.97Å | 1.00Å | |
| NAN | CAV | doub | 1.31Å | 1.34Å | Aromatic |
| CAJ | CAV | sing | 1.40Å | 1.33Å | Aromatic |
| CAG | CAJ | doub | 1.35Å | 1.34Å | Aromatic |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAS | CAG | sing | 1.35Å | 1.34Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| NAS | NAN | sing | 1.40Å | 1.24Å | Aromatic |
| NAS | HNAS | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAH | CAW | 121.0° | 119.9° |
| CAE | CAH | HAH | 119.5° | 120.0° |
| CAH | CAE | CAD | 118.5° | 120.1° |
| CAH | CAE | HAE | 120.7° | 119.9° |
| CAW | CAH | HAH | 119.5° | 120.1° |
| CAH | CAW | CAI | 120.0° | 119.8° |
| CAH | CAW | C2 | 120.1° | 120.2° |
| CAD | CAE | HAE | 120.8° | 120.0° |
| CAE | CAD | CAF | 121.1° | 120.3° |
| CAE | CAD | HAD | 119.4° | 119.8° |
| CAF | CAD | HAD | 119.4° | 119.9° |
| CAD | CAF | CAI | 120.2° | 120.2° |
| CAD | CAF | HAF | 119.9° | 120.0° |
| CAI | CAF | HAF | 119.9° | 119.9° |
| CAF | CAI | CAW | 119.1° | 119.8° |
| CAF | CAI | HAI | 120.5° | 120.1° |
| CAW | CAI | HAI | 120.4° | 120.1° |
| CAI | CAW | C2 | 119.9° | 120.1° |
| CAW | C2 | N1 | 121.7° | 118.6° |
| CAW | C2 | N3 | 117.4° | 118.7° |
| N1 | C2 | N3 | 120.8° | 122.7° |
| C2 | N1 | C6 | 121.2° | 121.4° |
| C2 | N3 | C4 | 120.7° | 120.4° |
| N1 | C6 | C5 | 118.6° | 118.4° |
| N1 | C6 | NAR | 119.9° | 120.8° |
| N3 | C4 | C5 | 119.8° | 118.8° |
| N3 | C4 | CAM | 119.1° | 121.8° |
| C5 | C4 | CAM | 121.0° | 119.4° |
| C4 | C5 | CAL | 118.7° | 119.9° |
| C4 | C5 | C6 | 118.8° | 118.3° |
| C4 | CAM | CAU | 120.5° | 119.4° |
| C4 | CAM | HAM | 119.7° | 120.3° |
| CAU | CAM | HAM | 119.8° | 120.3° |
| CAM | CAU | CAK | 118.9° | 120.7° |
| CAM | CAU | NAQ | 117.2° | 119.6° |
| CAK | CAU | NAQ | 123.9° | 119.6° |
| CAU | CAK | CAL | 120.5° | 120.8° |
| CAU | CAK | HAK | 119.7° | 119.6° |
| CAU | NAQ | CAT | 127.7° | 120.0° |
| CAU | NAQ | HNAQ | 116.2° | 120.0° |
| CAT | NAQ | HNAQ | 116.2° | 120.0° |
| NAQ | CAT | OAB | 124.5° | 120.0° |
| NAQ | CAT | CAC | 117.0° | 120.0° |
| OAB | CAT | CAC | 118.5° | 120.0° |
| CAT | CAC | CAA | 121.3° | 120.0° |
| CAT | CAC | HAC | 119.4° | 120.0° |
| CAA | CAC | HAC | 119.3° | 120.0° |
| CAC | CAA | HAA | 109.1° | 120.0° |
| CAC | CAA | HAAA | 125.4° | 120.0° |
| HAA | CAA | HAAA | 125.5° | 120.0° |
| CAL | CAK | HAK | 119.7° | 119.6° |
| CAK | CAL | C5 | 120.3° | 119.8° |
| CAK | CAL | HAL | 119.8° | 120.1° |
| C5 | CAL | HAL | 119.9° | 120.1° |
| CAL | C5 | C6 | 122.4° | 121.9° |
| C5 | C6 | NAR | 121.4° | 120.8° |
| C6 | NAR | CAV | 124.2° | 120.0° |
| C6 | NAR | HNAR | 117.9° | 120.0° |
| CAV | NAR | HNAR | 117.9° | 120.1° |
| NAR | CAV | NAN | 126.8° | 126.0° |
| NAR | CAV | CAJ | 124.6° | 126.0° |
| NAN | CAV | CAJ | 108.5° | 108.0° |
| CAV | NAN | NAS | 108.9° | 108.2° |
| CAV | CAJ | CAG | 105.3° | 107.9° |
| CAV | CAJ | HAJ | 127.4° | 126.1° |
| CAG | CAJ | HAJ | 127.3° | 126.0° |
| CAJ | CAG | NAS | 108.0° | 107.8° |
| CAJ | CAG | HAG | 126.0° | 126.1° |
| NAS | CAG | HAG | 126.0° | 126.1° |
| CAG | NAS | NAN | 109.3° | 108.0° |
| CAG | NAS | HNAS | 125.4° | 126.0° |
| NAN | NAS | HNAS | 125.3° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAH | CAW | HAH | 180.0° | 179.7° |
| CAH | CAE | CAD | HAE | 180.0° | 180.0° |
| CAH | CAE | CAD | CAF | 0.8° | 0.0° |
| CAH | CAE | CAD | HAD | 179.2° | 180.0° |
| CAE | CAH | CAW | CAI | 0.6° | 0.1° |
| CAE | CAH | CAW | C2 | 178.4° | 179.7° |
| CAW | CAH | CAE | CAD | 0.0° | 0.0° |
| CAW | CAH | CAE | HAE | 180.0° | 180.0° |
| CAH | CAW | CAI | CAF | 0.6° | 0.1° |
| CAH | CAW | CAI | C2 | 177.8° | 179.8° |
| CAH | CAW | CAI | HAI | 179.4° | 180.0° |
| CAH | CAW | C2 | N1 | 35.3° | 6.0° |
| CAH | CAW | C2 | N3 | 142.8° | 173.7° |
| HAH | CAH | CAE | CAD | 180.0° | 179.7° |
| HAH | CAH | CAE | HAE | 0.0° | 0.3° |
| HAH | CAH | CAW | CAI | 179.3° | 179.8° |
| HAH | CAH | CAW | C2 | 1.6° | 0.0° |
| CAE | CAD | CAF | HAD | 180.0° | 179.9° |
| CAE | CAD | CAF | CAI | 0.9° | 0.0° |
| CAE | CAD | CAF | HAF | 179.1° | 180.0° |
| HAE | CAE | CAD | CAF | 179.2° | 180.0° |
| HAE | CAE | CAD | HAD | 0.9° | 0.0° |
| CAD | CAF | CAI | HAF | 180.0° | 180.0° |
| CAD | CAF | CAI | CAW | 0.2° | 0.0° |
| CAD | CAF | CAI | HAI | 179.8° | 179.9° |
| HAD | CAD | CAF | CAI | 179.1° | 179.9° |
| HAD | CAD | CAF | HAF | 0.9° | 0.1° |
| CAF | CAI | CAW | HAI | 180.0° | 179.9° |
| CAF | CAI | CAW | C2 | 178.3° | 179.7° |
| HAF | CAF | CAI | CAW | 179.8° | 179.9° |
| HAF | CAF | CAI | HAI | 0.2° | 0.0° |
| CAI | CAW | C2 | N1 | 146.9° | 173.8° |
| CAI | CAW | C2 | N3 | 35.0° | 6.5° |
| HAI | CAI | CAW | C2 | 1.7° | 0.2° |
| CAW | C2 | N1 | N3 | 178.0° | 179.7° |
| CAW | C2 | N1 | C6 | 178.8° | 180.0° |
| CAW | C2 | N3 | C4 | 178.9° | 180.0° |
| N1 | C2 | N3 | C4 | 0.8° | 0.3° |
| C2 | N1 | C6 | C5 | 0.4° | 0.1° |
| C2 | N1 | C6 | NAR | 179.7° | 180.0° |
| N3 | C2 | N1 | C6 | 0.8° | 0.3° |
| C2 | N3 | C4 | C5 | 0.4° | 0.0° |
| C2 | N3 | C4 | CAM | 179.3° | 180.0° |
| N1 | C6 | C5 | C4 | 0.0° | 0.2° |
| N1 | C6 | C5 | CAL | 179.6° | 180.0° |
| N1 | C6 | C5 | NAR | 179.9° | 180.0° |
| N1 | C6 | NAR | CAV | 12.0° | 5.6° |
| N1 | C6 | NAR | HNAR | 168.0° | 174.4° |
| N3 | C4 | C5 | CAM | 179.6° | 180.0° |
| N3 | C4 | CAM | CAU | 179.4° | 180.0° |
| N3 | C4 | CAM | HAM | 0.7° | 0.0° |
| N3 | C4 | C5 | CAL | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.0° | 0.2° |
| C5 | C4 | CAM | CAU | 0.3° | 0.0° |
| C5 | C4 | CAM | HAM | 179.7° | 180.0° |
| C4 | C5 | CAL | CAK | 0.1° | 0.0° |
| C4 | C5 | CAL | C6 | 179.6° | 179.8° |
| C4 | C5 | CAL | HAL | 179.9° | 180.0° |
| C4 | C5 | C6 | NAR | 180.0° | 179.8° |
| C4 | CAM | CAU | HAM | 180.0° | 180.0° |
| C4 | CAM | CAU | CAK | 0.3° | 0.0° |
| C4 | CAM | CAU | NAQ | 179.2° | 180.0° |
| CAM | C4 | C5 | CAL | 0.1° | 0.1° |
| CAM | C4 | C5 | C6 | 179.6° | 179.8° |
| CAM | CAU | CAK | NAQ | 178.8° | 180.0° |
| CAM | CAU | NAQ | CAT | 162.1° | 143.8° |
| CAM | CAU | NAQ | HNAQ | 17.9° | 36.2° |
| CAM | CAU | CAK | CAL | 0.2° | 0.0° |
| CAM | CAU | CAK | HAK | 179.8° | 180.0° |
| HAM | CAM | CAU | CAK | 179.6° | 180.0° |
| HAM | CAM | CAU | NAQ | 0.8° | 0.0° |
| CAK | CAU | NAQ | CAT | 19.1° | 36.2° |
| CAK | CAU | NAQ | HNAQ | 160.9° | 143.8° |
| CAU | CAK | CAL | HAK | 180.0° | 180.0° |
| CAU | CAK | CAL | C5 | 0.1° | 0.0° |
| CAU | CAK | CAL | HAL | 179.9° | 180.0° |
| CAU | NAQ | CAT | HNAQ | 180.0° | 180.0° |
| CAU | NAQ | CAT | OAB | 0.8° | 4.6° |
| CAU | NAQ | CAT | CAC | 179.8° | 175.4° |
| NAQ | CAU | CAK | CAL | 179.0° | 180.0° |
| NAQ | CAU | CAK | HAK | 1.0° | 0.0° |
| NAQ | CAT | OAB | CAC | 179.4° | 180.0° |
| NAQ | CAT | CAC | CAA | 179.7° | 180.0° |
| NAQ | CAT | CAC | HAC | 0.3° | 0.0° |
| HNAQ | NAQ | CAT | OAB | 179.2° | 175.4° |
| HNAQ | NAQ | CAT | CAC | 0.2° | 4.6° |
| OAB | CAT | CAC | CAA | 0.3° | 0.0° |
| OAB | CAT | CAC | HAC | 179.7° | 180.0° |
| CAT | CAC | CAA | HAC | 180.0° | 180.0° |
| CAT | CAC | CAA | HAA | 180.0° | 0.1° |
| CAT | CAC | CAA | HAAA | 0.0° | 180.0° |
| CAC | CAA | HAA | HAAA | 180.0° | 179.9° |
| HAC | CAC | CAA | HAA | 0.0° | 179.9° |
| HAC | CAC | CAA | HAAA | 180.0° | 0.1° |
| CAK | CAL | C5 | HAL | 180.0° | 180.0° |
| CAK | CAL | C5 | C6 | 179.4° | 179.8° |
| HAK | CAK | CAL | C5 | 179.9° | 180.0° |
| HAK | CAK | CAL | HAL | 0.1° | 0.0° |
| CAL | C5 | C6 | NAR | 0.5° | 0.0° |
| HAL | CAL | C5 | C6 | 0.6° | 0.2° |
| C5 | C6 | NAR | CAV | 168.0° | 174.4° |
| C5 | C6 | NAR | HNAR | 11.9° | 5.5° |
| C6 | NAR | CAV | HNAR | 180.0° | 180.0° |
| C6 | NAR | CAV | NAN | 14.1° | 175.6° |
| C6 | NAR | CAV | CAJ | 166.7° | 4.7° |
| NAR | CAV | NAN | CAJ | 179.3° | 179.7° |
| NAR | CAV | CAJ | CAG | 179.7° | 180.0° |
| NAR | CAV | CAJ | HAJ | 0.4° | 0.0° |
| NAR | CAV | NAN | NAS | 179.5° | 179.9° |
| HNAR | NAR | CAV | NAN | 165.9° | 4.4° |
| HNAR | NAR | CAV | CAJ | 13.3° | 175.3° |
| NAN | CAV | CAJ | CAG | 0.4° | 0.3° |
| NAN | CAV | CAJ | HAJ | 179.7° | 179.7° |
| CAV | NAN | NAS | CAG | 0.0° | 0.5° |
| CAV | NAN | NAS | HNAS | 179.9° | 179.8° |
| CAV | CAJ | CAG | HAJ | 180.0° | 180.0° |
| CAV | CAJ | CAG | NAS | 0.4° | 0.0° |
| CAV | CAJ | CAG | HAG | 179.6° | 180.0° |
| CAJ | CAV | NAN | NAS | 0.2° | 0.5° |
| CAJ | CAG | NAS | HAG | 180.0° | 180.0° |
| CAJ | CAG | NAS | NAN | 0.3° | 0.3° |
| CAJ | CAG | NAS | HNAS | 179.7° | 180.0° |
| HAJ | CAJ | CAG | NAS | 179.6° | 180.0° |
| HAJ | CAJ | CAG | HAG | 0.3° | 0.0° |
| CAG | NAS | NAN | HNAS | 180.0° | 179.7° |
| HAG | CAG | NAS | NAN | 179.7° | 179.7° |
| HAG | CAG | NAS | HNAS | 0.3° | 0.0° |
