7UN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBH | NBF | sing | 1.47Å | 1.45Å | |
| NBF | CBG | sing | 1.34Å | 1.28Å | Aromatic |
| NBF | NBE | sing | 1.40Å | 1.37Å | Aromatic |
| CBG | CBC | doub | 1.38Å | 1.30Å | Aromatic |
| NBE | CBB | doub | 1.32Å | 1.43Å | Aromatic |
| CBC | CBB | sing | 1.47Å | 1.45Å | Aromatic |
| CBC | CBD | sing | 1.41Å | 1.38Å | Aromatic |
| CBB | CBA | sing | 1.41Å | 1.35Å | Aromatic |
| CBD | CAK | doub | 1.36Å | 1.37Å | Aromatic |
| CBA | CAZ | doub | 1.35Å | 1.38Å | Aromatic |
| CAK | CAZ | sing | 1.40Å | 1.43Å | Aromatic |
| CAK | NAJ | sing | 1.40Å | 1.42Å | |
| CAI | NAJ | sing | 1.34Å | 1.41Å | |
| CAI | C5 | doub | 1.38Å | 1.40Å | |
| NAJ | CAL | sing | 1.34Å | 1.36Å | |
| C6 | C5 | sing | 1.41Å | 1.38Å | |
| C6 | N1 | doub | 1.32Å | 1.33Å | |
| C5 | C4 | sing | 1.47Å | 1.41Å | |
| CAL | OAM | doub | 1.22Å | 1.31Å | |
| CAL | CAG | sing | 1.40Å | 1.42Å | |
| N1 | C2 | sing | 1.33Å | 1.34Å | |
| C4 | CAG | doub | 1.41Å | 1.38Å | |
| C4 | N3 | sing | 1.33Å | 1.33Å | |
| CAG | CAN | sing | 1.48Å | 1.49Å | |
| C2 | N3 | doub | 1.32Å | 1.30Å | |
| C2 | NAH | sing | 1.38Å | 1.40Å | |
| CAN | CAO | doub | 1.40Å | 1.33Å | Aromatic |
| CAN | CAS | sing | 1.40Å | 1.45Å | Aromatic |
| CAO | CAP | sing | 1.38Å | 1.48Å | Aromatic |
| NAH | CAT | sing | 1.46Å | 1.44Å | |
| CAS | CAR | doub | 1.38Å | 1.31Å | Aromatic |
| FAV | CAU | sing | 1.40Å | 1.33Å | |
| CAP | CAQ | doub | 1.39Å | 1.31Å | Aromatic |
| CAT | CAU | sing | 1.53Å | 1.50Å | |
| CAR | CAQ | sing | 1.38Å | 1.48Å | Aromatic |
| CAU | FAW | sing | 1.40Å | 1.34Å | |
| CAU | FAX | sing | 1.40Å | 1.34Å | |
| CAQ | CLAY | sing | 1.74Å | 1.74Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAP | HAP | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| CAT | H6L | sing | 1.09Å | 1.10Å | |
| CAZ | HAZ | sing | 1.08Å | 1.08Å | |
| CBA | HBA | sing | 1.08Å | 1.08Å | |
| CBD | HBD | sing | 1.08Å | 1.08Å | |
| CBG | HBG | sing | 1.08Å | 1.08Å | |
| CBH | H6N | sing | 1.09Å | 1.10Å | |
| CBH | HBH | sing | 1.09Å | 1.10Å | |
| CBH | H6M | sing | 1.09Å | 1.10Å | |
| NAH | HAH | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBH | NBF | CBG | 128.9° | 125.0° |
| CBH | NBF | NBE | 120.1° | 125.0° |
| NBF | CBH | H6N | 109.5° | 109.5° |
| NBF | CBH | HBH | 109.5° | 109.4° |
| NBF | CBH | H6M | 109.4° | 109.4° |
| CBG | NBF | NBE | 111.0° | 110.0° |
| NBF | CBG | CBC | 114.9° | 107.9° |
| NBF | CBG | HBG | 122.6° | 126.1° |
| NBF | NBE | CBB | 102.9° | 109.0° |
| CBG | CBC | CBB | 103.6° | 106.4° |
| CBG | CBC | CBD | 138.0° | 134.7° |
| CBC | CBG | HBG | 122.6° | 126.1° |
| NBE | CBB | CBC | 107.7° | 106.8° |
| NBE | CBB | CBA | 128.4° | 134.6° |
| CBB | CBC | CBD | 118.4° | 118.9° |
| CBC | CBB | CBA | 123.8° | 118.6° |
| CBC | CBD | CAK | 118.0° | 119.5° |
| CBC | CBD | HBD | 121.0° | 120.3° |
| CBB | CBA | CAZ | 117.0° | 119.7° |
| CBB | CBA | HBA | 121.5° | 120.1° |
| CBD | CAK | CAZ | 122.4° | 121.6° |
| CBD | CAK | NAJ | 120.3° | 119.2° |
| CAK | CBD | HBD | 121.0° | 120.2° |
| CBA | CAZ | CAK | 120.3° | 121.7° |
| CBA | CAZ | HAZ | 119.8° | 119.1° |
| CAZ | CBA | HBA | 121.5° | 120.1° |
| CAZ | CAK | NAJ | 116.7° | 119.2° |
| CAK | CAZ | HAZ | 119.8° | 119.1° |
| CAK | NAJ | CAI | 115.0° | 118.6° |
| CAK | NAJ | CAL | 124.2° | 118.6° |
| NAJ | CAI | C5 | 118.7° | 120.0° |
| CAI | NAJ | CAL | 120.7° | 122.8° |
| NAJ | CAI | HAI | 120.7° | 119.9° |
| CAI | C5 | C6 | 120.3° | 123.1° |
| CAI | C5 | C4 | 120.4° | 119.1° |
| C5 | CAI | HAI | 120.6° | 120.0° |
| NAJ | CAL | OAM | 116.4° | 119.2° |
| NAJ | CAL | CAG | 121.1° | 121.6° |
| C5 | C6 | N1 | 121.1° | 118.1° |
| C6 | C5 | C4 | 119.3° | 117.8° |
| C5 | C6 | H6 | 119.4° | 121.0° |
| C6 | N1 | C2 | 114.0° | 122.4° |
| N1 | C6 | H6 | 119.4° | 120.9° |
| C5 | C4 | CAG | 120.0° | 118.2° |
| C5 | C4 | N3 | 118.9° | 118.4° |
| OAM | CAL | CAG | 122.4° | 119.2° |
| CAL | CAG | C4 | 119.0° | 118.3° |
| CAL | CAG | CAN | 120.1° | 120.9° |
| N1 | C2 | N3 | 130.3° | 123.4° |
| N1 | C2 | NAH | 111.7° | 118.3° |
| CAG | C4 | N3 | 121.1° | 123.4° |
| C4 | CAG | CAN | 120.8° | 120.9° |
| C4 | N3 | C2 | 116.2° | 119.9° |
| CAG | CAN | CAO | 119.4° | 120.1° |
| CAG | CAN | CAS | 120.4° | 120.1° |
| N3 | C2 | NAH | 118.0° | 118.3° |
| C2 | NAH | CAT | 121.7° | 120.0° |
| C2 | NAH | HAH | 119.1° | 120.0° |
| CAO | CAN | CAS | 120.2° | 119.8° |
| CAN | CAO | CAP | 120.2° | 119.9° |
| CAN | CAO | HAO | 119.9° | 120.1° |
| CAN | CAS | CAR | 120.6° | 119.8° |
| CAN | CAS | HAS | 119.7° | 120.1° |
| CAO | CAP | CAQ | 118.0° | 120.1° |
| CAP | CAO | HAO | 119.9° | 120.0° |
| CAO | CAP | HAP | 121.0° | 120.0° |
| NAH | CAT | CAU | 108.7° | 109.5° |
| NAH | CAT | HAT | 109.7° | 109.4° |
| NAH | CAT | H6L | 109.7° | 109.5° |
| CAT | NAH | HAH | 119.1° | 120.0° |
| CAS | CAR | CAQ | 119.3° | 120.1° |
| CAS | CAR | HAR | 120.4° | 119.9° |
| CAR | CAS | HAS | 119.7° | 120.1° |
| FAV | CAU | CAT | 112.5° | 109.5° |
| FAV | CAU | FAW | 107.3° | 109.5° |
| FAV | CAU | FAX | 107.2° | 109.5° |
| CAP | CAQ | CAR | 121.7° | 120.3° |
| CAP | CAQ | CLAY | 121.3° | 119.9° |
| CAQ | CAP | HAP | 121.0° | 119.9° |
| CAT | CAU | FAW | 110.9° | 109.4° |
| CAT | CAU | FAX | 111.6° | 109.5° |
| CAU | CAT | HAT | 109.7° | 109.4° |
| CAU | CAT | H6L | 109.7° | 109.5° |
| CAR | CAQ | CLAY | 117.0° | 119.9° |
| CAQ | CAR | HAR | 120.3° | 120.0° |
| FAW | CAU | FAX | 107.1° | 109.5° |
| HAT | CAT | H6L | 109.5° | 109.5° |
| H6N | CBH | HBH | 109.5° | 109.5° |
| H6N | CBH | H6M | 109.4° | 109.5° |
| HBH | CBH | H6M | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBH | NBF | CBG | NBE | 179.8° | 180.0° |
| CBH | NBF | CBG | CBC | 179.2° | 180.0° |
| CBH | NBF | NBE | CBB | 179.4° | 180.0° |
| CBH | NBF | CBG | HBG | 0.8° | 0.0° |
| NBF | CBH | H6N | HBH | 120.0° | 120.0° |
| NBF | CBH | H6N | H6M | 120.0° | 120.0° |
| NBF | CBH | HBH | H6M | 120.0° | 120.0° |
| NBF | CBG | CBC | HBG | 180.0° | 179.9° |
| CBG | NBF | NBE | CBB | 0.7° | 0.0° |
| NBF | CBG | CBC | CBB | 0.7° | 0.0° |
| NBF | CBG | CBC | CBD | 179.3° | 179.7° |
| CBG | NBF | CBH | H6N | 179.8° | 90.0° |
| CBG | NBF | CBH | HBH | 60.2° | 150.0° |
| CBG | NBF | CBH | H6M | 59.8° | 30.0° |
| NBE | NBF | CBG | CBC | 1.0° | 0.0° |
| NBF | NBE | CBB | CBC | 0.3° | 0.0° |
| NBF | NBE | CBB | CBA | 179.4° | 180.0° |
| NBE | NBF | CBG | HBG | 179.0° | 180.0° |
| NBE | NBF | CBH | H6N | 0.0° | 90.0° |
| NBE | NBF | CBH | HBH | 120.0° | 30.0° |
| NBE | NBF | CBH | H6M | 120.0° | 150.0° |
| CBG | CBC | CBB | NBE | 0.2° | 0.0° |
| CBG | CBC | CBB | CBD | 178.9° | 179.8° |
| CBG | CBC | CBB | CBA | 179.9° | 180.0° |
| CBG | CBC | CBD | CAK | 179.4° | 179.8° |
| CBG | CBC | CBD | HBD | 0.6° | 0.3° |
| NBE | CBB | CBC | CBA | 179.7° | 180.0° |
| NBE | CBB | CBC | CBD | 179.1° | 179.8° |
| NBE | CBB | CBA | CAZ | 179.3° | 180.0° |
| NBE | CBB | CBA | HBA | 0.7° | 0.0° |
| CBB | CBC | CBD | CAK | 2.2° | 0.5° |
| CBC | CBB | CBA | CAZ | 1.1° | 0.0° |
| CBC | CBB | CBA | HBA | 178.9° | 180.0° |
| CBB | CBC | CBD | HBD | 177.8° | 180.0° |
| CBB | CBC | CBG | HBG | 179.3° | 180.0° |
| CBD | CBC | CBB | CBA | 1.2° | 0.2° |
| CBC | CBD | CAK | HBD | 180.0° | 179.5° |
| CBC | CBD | CAK | CAZ | 3.3° | 0.5° |
| CBC | CBD | CAK | NAJ | 174.0° | 179.7° |
| CBD | CBC | CBG | HBG | 0.7° | 0.2° |
| CBB | CBA | CAZ | HBA | 180.0° | 180.0° |
| CBB | CBA | CAZ | CAK | 2.0° | 0.0° |
| CBB | CBA | CAZ | HAZ | 178.0° | 180.0° |
| CBD | CAK | CAZ | CBA | 3.2° | 0.3° |
| CBD | CAK | CAZ | NAJ | 171.0° | 179.8° |
| CBD | CAK | NAJ | CAI | 57.8° | 89.5° |
| CBD | CAK | NAJ | CAL | 125.8° | 90.2° |
| CBD | CAK | CAZ | HAZ | 176.8° | 179.7° |
| CBA | CAZ | CAK | HAZ | 180.0° | 180.0° |
| CBA | CAZ | CAK | NAJ | 174.3° | 180.0° |
| CAZ | CAK | NAJ | CAI | 113.5° | 90.3° |
| CAZ | CAK | NAJ | CAL | 63.0° | 90.0° |
| CAK | CAZ | CBA | HBA | 178.0° | 180.0° |
| CAZ | CAK | CBD | HBD | 176.8° | 180.0° |
| CAK | NAJ | CAI | CAL | 176.6° | 179.7° |
| CAK | NAJ | CAI | C5 | 177.4° | 180.0° |
| CAK | NAJ | CAL | OAM | 3.6° | 0.3° |
| CAK | NAJ | CAL | CAG | 176.2° | 179.7° |
| CAK | NAJ | CAI | HAI | 2.6° | 0.4° |
| NAJ | CAK | CAZ | HAZ | 5.7° | 0.1° |
| NAJ | CAK | CBD | HBD | 6.0° | 0.3° |
| NAJ | CAI | C5 | HAI | 180.0° | 179.6° |
| NAJ | CAI | C5 | C6 | 178.1° | 180.0° |
| NAJ | CAI | C5 | C4 | 2.0° | 0.0° |
| CAI | NAJ | CAL | OAM | 179.9° | 180.0° |
| CAI | NAJ | CAL | CAG | 0.1° | 0.6° |
| C5 | CAI | NAJ | CAL | 0.8° | 0.3° |
| CAI | C5 | C6 | C4 | 179.9° | 180.0° |
| CAI | C5 | C6 | N1 | 178.1° | 180.0° |
| CAI | C5 | C4 | CAG | 2.3° | 0.0° |
| CAI | C5 | C4 | N3 | 176.7° | 179.8° |
| CAI | C5 | C6 | H6 | 1.9° | 0.0° |
| NAJ | CAL | OAM | CAG | 179.8° | 179.4° |
| NAJ | CAL | CAG | C4 | 0.2° | 0.6° |
| NAJ | CAL | CAG | CAN | 178.0° | 179.4° |
| CAL | NAJ | CAI | HAI | 179.2° | 179.9° |
| C5 | C6 | N1 | H6 | 180.0° | 180.0° |
| C5 | C6 | N1 | C2 | 1.7° | 0.0° |
| C6 | C5 | C4 | CAG | 177.7° | 180.0° |
| C6 | C5 | C4 | N3 | 3.2° | 0.3° |
| C6 | C5 | CAI | HAI | 1.9° | 0.4° |
| N1 | C6 | C5 | C4 | 1.8° | 0.0° |
| C6 | N1 | C2 | N3 | 4.8° | 0.2° |
| C6 | N1 | C2 | NAH | 175.0° | 180.0° |
| C5 | C4 | CAG | CAL | 1.4° | 0.3° |
| C5 | C4 | CAG | N3 | 179.0° | 179.7° |
| C5 | C4 | CAG | CAN | 176.8° | 179.8° |
| C5 | C4 | N3 | C2 | 0.8° | 0.5° |
| C4 | C5 | C6 | H6 | 178.2° | 180.0° |
| C4 | C5 | CAI | HAI | 178.0° | 179.6° |
| OAM | CAL | CAG | C4 | 179.6° | 180.0° |
| OAM | CAL | CAG | CAN | 2.2° | 0.0° |
| CAL | CAG | C4 | CAN | 178.2° | 180.0° |
| CAL | CAG | C4 | N3 | 177.6° | 180.0° |
| CAL | CAG | CAN | CAO | 97.8° | 65.0° |
| CAL | CAG | CAN | CAS | 82.3° | 114.7° |
| N1 | C2 | N3 | C4 | 3.5° | 0.5° |
| N1 | C2 | N3 | NAH | 179.8° | 179.8° |
| N1 | C2 | NAH | CAT | 171.7° | 0.0° |
| C2 | N1 | C6 | H6 | 178.3° | 180.0° |
| N1 | C2 | NAH | HAH | 8.4° | 179.9° |
| CAG | C4 | N3 | C2 | 179.8° | 179.8° |
| C4 | CAG | CAN | CAO | 80.4° | 115.0° |
| C4 | CAG | CAN | CAS | 99.5° | 65.3° |
| N3 | C4 | CAG | CAN | 4.2° | 0.0° |
| C4 | N3 | C2 | NAH | 176.3° | 179.7° |
| CAG | CAN | CAO | CAS | 179.9° | 179.7° |
| CAG | CAN | CAO | CAP | 179.2° | 180.0° |
| CAG | CAN | CAS | CAR | 179.2° | 179.7° |
| CAG | CAN | CAO | HAO | 0.8° | 0.0° |
| CAG | CAN | CAS | HAS | 0.8° | 0.1° |
| N3 | C2 | NAH | CAT | 8.2° | 179.8° |
| N3 | C2 | NAH | HAH | 171.8° | 0.3° |
| C2 | NAH | CAT | HAH | 180.0° | 179.9° |
| C2 | NAH | CAT | CAU | 104.2° | 180.0° |
| C2 | NAH | CAT | HAT | 15.7° | 60.0° |
| C2 | NAH | CAT | H6L | 135.9° | 60.0° |
| CAN | CAO | CAP | HAO | 180.0° | 180.0° |
| CAO | CAN | CAS | CAR | 0.7° | 0.5° |
| CAN | CAO | CAP | CAQ | 0.2° | 0.0° |
| CAN | CAO | CAP | HAP | 179.8° | 180.0° |
| CAO | CAN | CAS | HAS | 179.3° | 179.7° |
| CAS | CAN | CAO | CAP | 0.7° | 0.2° |
| CAN | CAS | CAR | HAS | 180.0° | 179.8° |
| CAN | CAS | CAR | CAQ | 0.2° | 0.5° |
| CAS | CAN | CAO | HAO | 179.3° | 179.8° |
| CAN | CAS | CAR | HAR | 179.8° | 179.7° |
| CAO | CAP | CAQ | HAP | 180.0° | 180.0° |
| CAO | CAP | CAQ | CAR | 1.1° | 0.0° |
| CAO | CAP | CAQ | CLAY | 179.0° | 180.0° |
| NAH | CAT | CAU | FAV | 55.3° | 59.9° |
| NAH | CAT | CAU | HAT | 119.9° | 119.9° |
| NAH | CAT | CAU | H6L | 119.9° | 120.1° |
| NAH | CAT | CAU | FAW | 64.8° | 60.1° |
| NAH | CAT | CAU | FAX | 175.9° | 180.0° |
| NAH | CAT | HAT | H6L | 120.4° | 120.0° |
| CAS | CAR | CAQ | CAP | 1.2° | 0.3° |
| CAS | CAR | CAQ | HAR | 180.0° | 179.7° |
| CAS | CAR | CAQ | CLAY | 178.9° | 179.7° |
| FAV | CAU | CAT | FAW | 120.2° | 120.0° |
| FAV | CAU | CAT | FAX | 120.6° | 120.0° |
| FAV | CAU | FAW | FAX | 114.8° | 120.0° |
| FAV | CAU | CAT | HAT | 64.6° | 60.0° |
| FAV | CAU | CAT | H6L | 175.2° | 180.0° |
| CAP | CAQ | CAR | CLAY | 179.9° | 180.0° |
| CAQ | CAP | CAO | HAO | 179.8° | 180.0° |
| CAP | CAQ | CAR | HAR | 178.9° | 180.0° |
| CAT | CAU | FAW | FAX | 122.0° | 120.0° |
| CAU | CAT | HAT | H6L | 120.4° | 120.0° |
| CAU | CAT | NAH | HAH | 75.8° | 0.1° |
| CAR | CAQ | CAP | HAP | 178.9° | 179.9° |
| CAQ | CAR | CAS | HAS | 179.8° | 179.6° |
| FAW | CAU | CAT | HAT | 175.3° | 180.0° |
| FAW | CAU | CAT | H6L | 55.0° | 60.0° |
| FAX | CAU | CAT | HAT | 56.0° | 60.0° |
| FAX | CAU | CAT | H6L | 64.3° | 60.0° |
| CLAY | CAQ | CAP | HAP | 1.0° | 0.0° |
| CLAY | CAQ | CAR | HAR | 1.0° | 0.0° |
| HAO | CAO | CAP | HAP | 0.2° | 0.0° |
| HAR | CAR | CAS | HAS | 0.2° | 0.1° |
| HAT | CAT | NAH | HAH | 164.4° | 120.0° |
| H6L | CAT | NAH | HAH | 44.1° | 119.9° |
| HAZ | CAZ | CBA | HBA | 2.0° | 0.1° |
| H6N | CBH | HBH | H6M | 120.0° | 120.0° |
