BZ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | CAT | sing | 1.45Å | 1.33Å | Aromatic |
| CAK | CAS | doub | 1.32Å | 1.32Å | Aromatic |
| CAT | CAI | sing | 1.41Å | 1.40Å | Aromatic |
| CAT | CAU | doub | 1.40Å | 1.42Å | Aromatic |
| CAI | CAH | doub | 1.36Å | 1.37Å | Aromatic |
| CAH | CAR | sing | 1.39Å | 1.41Å | Aromatic |
| CAH | CAA | sing | 1.51Å | 1.54Å | |
| CAR | CAJ | doub | 1.37Å | 1.39Å | Aromatic |
| CAJ | CAU | sing | 1.40Å | 1.37Å | Aromatic |
| CAU | SAO | sing | 1.76Å | 1.72Å | Aromatic |
| SAO | CAS | sing | 1.75Å | 1.70Å | Aromatic |
| OAN | CAQ | doub | 1.21Å | 1.23Å | |
| CAQ | CA0 | sing | 1.51Å | 1.52Å | |
| CAQ | CAW | sing | 1.51Å | 1.53Å | |
| CAX | CAP | sing | 1.51Å | 1.53Å | |
| CAX | CA0 | sing | 1.53Å | 1.53Å | |
| CAX | OAF | sing | 1.43Å | 1.44Å | |
| CAX | CAM | sing | 1.53Å | 1.53Å | |
| CAP | OAC | doub | 1.21Å | 1.24Å | |
| CAP | OAB | sing | 1.34Å | 1.24Å | |
| CA0 | CAA | sing | 1.53Å | 1.53Å | |
| CAM | CAV | sing | 1.53Å | 1.53Å | |
| CAV | OAD | sing | 1.43Å | 1.47Å | |
| CAV | CAW | sing | 1.53Å | 1.51Å | |
| CAW | OAE | sing | 1.43Å | 1.47Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAS | HAS | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAR | HAR | sing | 1.08Å | 1.08Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CA0 | HA0 | sing | 1.09Å | 1.10Å | |
| CAW | HAW | sing | 1.09Å | 1.10Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| CAM | HAM1 | sing | 1.09Å | 1.10Å | |
| CAM | HAM2 | sing | 1.09Å | 1.10Å | |
| OAB | HAB | sing | 0.97Å | 0.95Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAT | CAK | CAS | 116.3° | 114.9° |
| CAK | CAT | CAI | 128.7° | 129.4° |
| CAK | CAT | CAU | 111.3° | 111.8° |
| CAT | CAK | HAK | 121.9° | 122.5° |
| CAK | CAS | SAO | 111.9° | 111.4° |
| CAS | CAK | HAK | 121.9° | 122.5° |
| CAK | CAS | HAS | 124.0° | 124.3° |
| CAI | CAT | CAU | 120.0° | 118.8° |
| CAT | CAI | CAH | 119.9° | 120.5° |
| CAT | CAI | HAI | 120.0° | 119.7° |
| CAT | CAU | CAJ | 120.4° | 119.8° |
| CAT | CAU | SAO | 109.5° | 109.6° |
| CAI | CAH | CAR | 118.8° | 120.6° |
| CAI | CAH | CAA | 121.5° | 119.7° |
| CAH | CAI | HAI | 120.0° | 119.8° |
| CAR | CAH | CAA | 119.6° | 119.7° |
| CAH | CAR | CAJ | 122.7° | 120.2° |
| CAH | CAR | HAR | 118.7° | 119.9° |
| CAH | CAA | CA0 | 112.2° | 109.5° |
| CAH | CAA | HAA1 | 108.8° | 109.5° |
| CAH | CAA | HAA2 | 108.8° | 109.5° |
| CAR | CAJ | CAU | 118.1° | 120.2° |
| CAJ | CAR | HAR | 118.6° | 119.9° |
| CAR | CAJ | HAJ | 121.0° | 119.8° |
| CAJ | CAU | SAO | 130.1° | 130.6° |
| CAU | CAJ | HAJ | 120.9° | 120.0° |
| CAU | SAO | CAS | 90.9° | 92.2° |
| SAO | CAS | HAS | 124.0° | 124.3° |
| OAN | CAQ | CA0 | 120.9° | 120.9° |
| OAN | CAQ | CAW | 120.4° | 120.8° |
| CA0 | CAQ | CAW | 118.7° | 118.3° |
| CAQ | CA0 | CAX | 105.9° | 108.5° |
| CAQ | CA0 | CAA | 112.5° | 109.6° |
| CAQ | CA0 | HA0 | 108.1° | 109.6° |
| CAQ | CAW | CAV | 109.9° | 108.6° |
| CAQ | CAW | OAE | 110.4° | 109.7° |
| CAQ | CAW | HAW | 108.6° | 109.6° |
| CAP | CAX | CA0 | 109.9° | 109.5° |
| CAP | CAX | OAF | 109.4° | 109.5° |
| CAP | CAX | CAM | 109.2° | 109.5° |
| CAX | CAP | OAC | 117.2° | 120.1° |
| CAX | CAP | OAB | 117.4° | 120.0° |
| CA0 | CAX | OAF | 108.0° | 109.5° |
| CA0 | CAX | CAM | 109.8° | 109.4° |
| CAX | CA0 | CAA | 114.1° | 109.6° |
| CAX | CA0 | HA0 | 108.0° | 109.7° |
| OAF | CAX | CAM | 110.5° | 109.5° |
| CAX | OAF | HAF | 109.5° | 114.0° |
| CAX | CAM | CAV | 112.2° | 110.0° |
| CAX | CAM | HAM1 | 108.8° | 109.4° |
| CAX | CAM | HAM2 | 108.8° | 109.3° |
| OAC | CAP | OAB | 125.4° | 120.0° |
| CAP | OAB | HAB | 109.5° | 117.0° |
| CA0 | CAA | HAA1 | 108.8° | 109.5° |
| CA0 | CAA | HAA2 | 108.8° | 109.4° |
| CAA | CA0 | HA0 | 108.1° | 109.8° |
| CAM | CAV | OAD | 110.9° | 109.5° |
| CAM | CAV | CAW | 109.2° | 109.4° |
| CAV | CAM | HAM1 | 108.8° | 109.5° |
| CAV | CAM | HAM2 | 108.8° | 109.2° |
| CAM | CAV | HAV | 109.2° | 109.5° |
| OAD | CAV | CAW | 108.1° | 109.7° |
| OAD | CAV | HAV | 110.0° | 109.5° |
| CAV | OAD | HAD | 109.5° | 114.0° |
| CAV | CAW | OAE | 109.8° | 109.6° |
| CAV | CAW | HAW | 108.8° | 109.6° |
| CAW | CAV | HAV | 109.4° | 109.3° |
| OAE | CAW | HAW | 109.3° | 109.7° |
| CAW | OAE | HAE | 109.5° | 114.0° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAM1 | CAM | HAM2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAT | CAK | CAS | HAK | 180.0° | 179.7° |
| CAK | CAT | CAI | CAU | 176.9° | 180.0° |
| CAK | CAT | CAI | CAH | 179.4° | 180.0° |
| CAK | CAT | CAU | CAJ | 178.6° | 180.0° |
| CAK | CAT | CAU | SAO | 1.0° | 0.0° |
| CAT | CAK | CAS | SAO | 3.8° | 0.0° |
| CAT | CAK | CAS | HAS | 176.2° | 180.0° |
| CAK | CAT | CAI | HAI | 0.6° | 0.0° |
| CAS | CAK | CAT | CAI | 179.8° | 180.0° |
| CAS | CAK | CAT | CAU | 3.1° | 0.0° |
| CAK | CAS | SAO | CAU | 2.6° | 0.0° |
| CAK | CAS | SAO | HAS | 180.0° | 179.9° |
| CAT | CAI | CAH | HAI | 180.0° | 179.9° |
| CAT | CAI | CAH | CAR | 2.8° | 0.1° |
| CAT | CAI | CAH | CAA | 179.3° | 179.9° |
| CAI | CAT | CAU | CAJ | 1.2° | 0.0° |
| CAI | CAT | CAU | SAO | 178.4° | 180.0° |
| CAI | CAT | CAK | HAK | 0.2° | 0.3° |
| CAU | CAT | CAI | CAH | 2.5° | 0.1° |
| CAT | CAU | CAJ | CAR | 0.3° | 0.0° |
| CAT | CAU | CAJ | SAO | 179.5° | 180.0° |
| CAT | CAU | SAO | CAS | 0.9° | 0.0° |
| CAU | CAT | CAK | HAK | 176.9° | 179.7° |
| CAU | CAT | CAI | HAI | 177.5° | 180.0° |
| CAT | CAU | CAJ | HAJ | 179.7° | 180.0° |
| CAI | CAH | CAR | CAA | 177.9° | 180.0° |
| CAI | CAH | CAR | CAJ | 2.0° | 0.0° |
| CAI | CAH | CAA | CA0 | 124.5° | 81.9° |
| CAI | CAH | CAR | HAR | 178.0° | 180.0° |
| CAI | CAH | CAA | HAA1 | 4.1° | 158.1° |
| CAI | CAH | CAA | HAA2 | 115.2° | 38.1° |
| CAH | CAR | CAJ | HAR | 180.0° | 180.0° |
| CAH | CAR | CAJ | CAU | 0.7° | 0.0° |
| CAR | CAH | CAA | CA0 | 57.7° | 98.1° |
| CAR | CAH | CAI | HAI | 177.2° | 180.0° |
| CAR | CAH | CAA | HAA1 | 178.1° | 21.9° |
| CAR | CAH | CAA | HAA2 | 62.7° | 141.9° |
| CAH | CAR | CAJ | HAJ | 179.3° | 180.0° |
| CAA | CAH | CAR | CAJ | 179.9° | 180.0° |
| CAH | CAA | CA0 | CAQ | 107.3° | 67.3° |
| CAH | CAA | CA0 | CAX | 132.0° | 173.7° |
| CAH | CAA | CA0 | HAA1 | 120.4° | 120.0° |
| CAH | CAA | CA0 | HAA2 | 120.4° | 120.0° |
| CAA | CAH | CAI | HAI | 0.7° | 0.0° |
| CAA | CAH | CAR | HAR | 0.1° | 0.0° |
| CAH | CAA | HAA1 | HAA2 | 118.8° | 120.0° |
| CAH | CAA | CA0 | HA0 | 11.9° | 53.1° |
| CAR | CAJ | CAU | HAJ | 180.0° | 180.0° |
| CAR | CAJ | CAU | SAO | 179.2° | 180.0° |
| CAJ | CAU | SAO | CAS | 179.6° | 180.0° |
| CAU | CAJ | CAR | HAR | 179.3° | 180.0° |
| CAU | SAO | CAS | HAS | 177.4° | 180.0° |
| SAO | CAU | CAJ | HAJ | 0.8° | 0.0° |
| SAO | CAS | CAK | HAK | 176.2° | 179.7° |
| OAN | CAQ | CA0 | CAW | 177.0° | 179.8° |
| OAN | CAQ | CA0 | CAX | 129.3° | 128.7° |
| OAN | CAQ | CA0 | CAA | 4.1° | 9.0° |
| OAN | CAQ | CAW | CAV | 130.8° | 128.7° |
| OAN | CAQ | CAW | OAE | 9.6° | 8.9° |
| OAN | CAQ | CA0 | HA0 | 115.1° | 111.6° |
| OAN | CAQ | CAW | HAW | 110.3° | 111.6° |
| CAQ | CA0 | CAX | CAP | 176.2° | 174.6° |
| CAQ | CA0 | CAX | CAA | 124.2° | 119.7° |
| CAQ | CA0 | CAX | HA0 | 115.6° | 119.7° |
| CAQ | CA0 | CAX | OAF | 64.5° | 65.3° |
| CAQ | CA0 | CAX | CAM | 56.1° | 54.6° |
| CAQ | CA0 | CAA | HA0 | 119.3° | 120.4° |
| CA0 | CAQ | CAW | CAV | 52.1° | 51.5° |
| CA0 | CAQ | CAW | OAE | 173.4° | 171.3° |
| CAQ | CA0 | CAA | HAA1 | 13.1° | 52.7° |
| CAQ | CA0 | CAA | HAA2 | 132.3° | 172.7° |
| CA0 | CAQ | CAW | HAW | 66.8° | 68.1° |
| CAW | CAQ | CA0 | CAX | 53.7° | 51.6° |
| CAW | CAQ | CA0 | CAA | 178.9° | 171.3° |
| CAQ | CAW | CAV | CAM | 50.7° | 54.5° |
| CAQ | CAW | CAV | OAD | 171.4° | 174.6° |
| CAQ | CAW | CAV | OAE | 121.6° | 119.8° |
| CAQ | CAW | CAV | HAW | 118.8° | 119.7° |
| CAQ | CAW | OAE | HAW | 119.4° | 120.5° |
| CAW | CAQ | CA0 | HA0 | 61.9° | 68.2° |
| CAQ | CAW | CAV | HAV | 68.8° | 65.3° |
| CAQ | CAW | OAE | HAE | 4.3° | 60.0° |
| CAP | CAX | CA0 | OAF | 119.3° | 120.1° |
| CAP | CAX | CA0 | CAM | 120.1° | 119.9° |
| CAP | CAX | OAF | CAM | 120.3° | 120.0° |
| CAX | CAP | OAC | OAB | 177.3° | 180.0° |
| CAP | CAX | CA0 | CAA | 59.6° | 65.7° |
| CAP | CAX | CAM | CAV | 175.8° | 176.7° |
| CAP | CAX | CA0 | HA0 | 60.6° | 54.9° |
| CAP | CAX | OAF | HAF | 180.0° | 60.0° |
| CAP | CAX | CAM | HAM1 | 55.4° | 56.4° |
| CAP | CAX | CAM | HAM2 | 63.8° | 63.5° |
| CAX | CAP | OAB | HAB | 177.3° | 180.0° |
| CA0 | CAX | OAF | CAM | 120.1° | 119.9° |
| CA0 | CAX | CAP | OAC | 75.4° | 24.9° |
| CA0 | CAX | CAP | OAB | 102.2° | 155.0° |
| CAX | CA0 | CAA | HA0 | 120.1° | 120.5° |
| CA0 | CAX | CAM | CAV | 63.7° | 63.4° |
| CAX | CA0 | CAA | HAA1 | 107.6° | 66.3° |
| CAX | CA0 | CAA | HAA2 | 11.7° | 53.7° |
| CA0 | CAX | OAF | HAF | 60.4° | 180.0° |
| CA0 | CAX | CAM | HAM1 | 175.9° | 176.3° |
| CA0 | CAX | CAM | HAM2 | 56.7° | 56.5° |
| OAF | CAX | CAP | OAC | 166.2° | 145.0° |
| OAF | CAX | CAP | OAB | 16.3° | 35.0° |
| OAF | CAX | CA0 | CAA | 59.7° | 54.3° |
| OAF | CAX | CAM | CAV | 55.4° | 56.6° |
| OAF | CAX | CA0 | HA0 | 179.9° | 175.0° |
| OAF | CAX | CAM | HAM1 | 65.0° | 63.7° |
| OAF | CAX | CAM | HAM2 | 175.8° | 176.5° |
| CAM | CAX | CAP | OAC | 45.1° | 95.0° |
| CAM | CAX | CAP | OAB | 137.4° | 85.1° |
| CAM | CAX | CA0 | CAA | 179.6° | 174.3° |
| CAX | CAM | CAV | HAM1 | 120.4° | 120.3° |
| CAX | CAM | CAV | HAM2 | 120.4° | 119.9° |
| CAX | CAM | CAV | OAD | 178.6° | 176.4° |
| CAX | CAM | CAV | CAW | 59.6° | 63.3° |
| CAM | CAX | CA0 | HA0 | 59.5° | 65.1° |
| CAM | CAX | OAF | HAF | 59.7° | 60.0° |
| CAX | CAM | HAM1 | HAM2 | 118.8° | 119.8° |
| CAX | CAM | CAV | HAV | 60.0° | 56.4° |
| OAC | CAP | OAB | HAB | 0.0° | 0.0° |
| CA0 | CAA | HAA1 | HAA2 | 118.7° | 120.0° |
| CAM | CAV | OAD | CAW | 119.7° | 120.1° |
| CAM | CAV | OAD | HAV | 120.9° | 120.0° |
| CAM | CAV | CAW | HAV | 119.5° | 119.8° |
| CAM | CAV | CAW | OAE | 172.3° | 174.3° |
| CAM | CAV | CAW | HAW | 68.1° | 65.2° |
| CAV | CAM | HAM1 | HAM2 | 118.8° | 119.6° |
| CAM | CAV | OAD | HAD | 180.0° | 180.0° |
| OAD | CAV | CAW | HAV | 119.8° | 120.1° |
| OAD | CAV | CAW | OAE | 67.0° | 65.6° |
| OAD | CAV | CAW | HAW | 52.6° | 54.9° |
| OAD | CAV | CAM | HAM1 | 61.0° | 56.1° |
| OAD | CAV | CAM | HAM2 | 58.2° | 63.6° |
| CAV | CAW | OAE | HAW | 119.3° | 120.4° |
| CAW | CAV | CAM | HAM1 | 180.0° | 176.4° |
| CAW | CAV | CAM | HAM2 | 60.8° | 56.7° |
| CAW | CAV | OAD | HAD | 60.3° | 59.9° |
| CAV | CAW | OAE | HAE | 125.6° | 179.1° |
| OAE | CAW | CAV | HAV | 52.8° | 54.4° |
| HAK | CAK | CAS | HAS | 3.8° | 0.2° |
| HAR | CAR | CAJ | HAJ | 0.7° | 0.0° |
| HAA1 | CAA | CA0 | HA0 | 132.3° | 173.1° |
| HAA2 | CAA | CA0 | HA0 | 108.5° | 66.8° |
| HAW | CAW | CAV | HAV | 172.4° | 175.0° |
| HAW | CAW | OAE | HAE | 115.1° | 60.5° |
| HAM1 | CAM | CAV | HAV | 60.4° | 63.9° |
| HAM2 | CAM | CAV | HAV | 179.6° | 176.4° |
| HAV | CAV | OAD | HAD | 59.1° | 60.0° |
