TZN
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CBA | OAC | sing | 1.43Å | 1.36Å | |
OAC | CAY | sing | 1.36Å | 1.38Å | |
CAY | CAW | doub | 1.38Å | 1.39Å | Aromatic |
CAY | CAZ | sing | 1.40Å | 1.39Å | Aromatic |
CAW | C6 | sing | 1.40Å | 1.37Å | Aromatic |
OAD | CAZ | sing | 1.36Å | 1.36Å | |
OAD | CBB | sing | 1.43Å | 1.37Å | |
CAZ | CAX | doub | 1.37Å | 1.36Å | Aromatic |
C6 | N1 | doub | 1.34Å | 1.31Å | Aromatic |
C6 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
N1 | C2 | sing | 1.32Å | 1.26Å | Aromatic |
CAK | CAM | sing | 1.53Å | 1.49Å | |
CAK | NAE | sing | 1.47Å | 1.43Å | |
CAM | NAF | sing | 1.46Å | 1.42Å | |
OAA | CAR | sing | 1.44Å | 1.41Å | |
OAA | CAJ | sing | 1.44Å | 1.37Å | |
CAX | C5 | sing | 1.40Å | 1.36Å | Aromatic |
C5 | C4 | doub | 1.42Å | 1.42Å | Aromatic |
C2 | NAF | sing | 1.38Å | 1.40Å | |
C2 | N3 | doub | 1.33Å | 1.25Å | Aromatic |
NAF | CAN | sing | 1.47Å | 1.39Å | |
CAR | CAQ | sing | 1.54Å | 1.53Å | |
CAJ | CAP | sing | 1.51Å | 1.47Å | |
CAJ | CAO | sing | 1.55Å | 1.48Å | |
NAE | CAP | sing | 1.35Å | 1.46Å | |
NAE | CAL | sing | 1.47Å | 1.39Å | |
C4 | N3 | sing | 1.32Å | 1.28Å | Aromatic |
C4 | NAI | sing | 1.38Å | 1.39Å | |
CAP | OAB | doub | 1.21Å | 1.19Å | |
CAO | CAQ | sing | 1.55Å | 1.49Å | |
CAN | CAL | sing | 1.53Å | 1.56Å | |
CAO | HAS | sing | 1.09Å | 1.10Å | |
CAO | HAT | sing | 1.09Å | 1.10Å | |
CAQ | HAV | sing | 1.09Å | 1.10Å | |
CAQ | HAU | sing | 1.09Å | 1.10Å | |
CAR | HAX | sing | 1.09Å | 1.10Å | |
CAR | HAW | sing | 1.09Å | 1.10Å | |
CAJ | HAJ | sing | 1.09Å | 1.10Å | |
CAL | HAN | sing | 1.09Å | 1.10Å | |
CAL | HAM | sing | 1.09Å | 1.10Å | |
CAN | HAR | sing | 1.09Å | 1.10Å | |
CAN | HAQ | sing | 1.09Å | 1.10Å | |
CAK | HAL | sing | 1.09Å | 1.10Å | |
CAK | HAK | sing | 1.09Å | 1.10Å | |
CAM | HAO | sing | 1.09Å | 1.10Å | |
CAM | HAP | sing | 1.09Å | 1.10Å | |
CAW | HAY | sing | 1.08Å | 1.08Å | |
CBA | HBA | sing | 1.09Å | 1.10Å | |
CBA | HBC | sing | 1.09Å | 1.10Å | |
CBA | HBB | sing | 1.09Å | 1.10Å | |
CBB | HBE | sing | 1.09Å | 1.10Å | |
CBB | HBD | sing | 1.09Å | 1.10Å | |
CBB | HBF | sing | 1.09Å | 1.10Å | |
CAX | HAZ | sing | 1.08Å | 1.08Å | |
NAI | HBG | sing | 0.97Å | 1.00Å | |
NAI | HAI | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CBA | OAC | CAY | 118.2° | 117.0° |
OAC | CBA | HBA | 109.5° | 109.5° |
OAC | CBA | HBC | 109.5° | 109.5° |
OAC | CBA | HBB | 109.5° | 109.5° |
OAC | CAY | CAW | 125.5° | 119.7° |
OAC | CAY | CAZ | 113.1° | 119.6° |
CAW | CAY | CAZ | 121.3° | 120.7° |
CAY | CAW | C6 | 116.3° | 119.6° |
CAY | CAW | HAY | 121.8° | 120.2° |
CAY | CAZ | OAD | 114.7° | 119.7° |
CAY | CAZ | CAX | 121.5° | 120.7° |
CAW | C6 | N1 | 122.8° | 121.8° |
CAW | C6 | C5 | 121.7° | 119.4° |
C6 | CAW | HAY | 121.8° | 120.2° |
CAZ | OAD | CBB | 116.7° | 117.0° |
OAD | CAZ | CAX | 123.8° | 119.6° |
OAD | CBB | HBE | 109.5° | 109.5° |
OAD | CBB | HBD | 109.5° | 109.5° |
OAD | CBB | HBF | 109.5° | 109.5° |
CAZ | CAX | C5 | 118.4° | 119.7° |
CAZ | CAX | HAZ | 120.8° | 120.2° |
N1 | C6 | C5 | 115.5° | 118.8° |
C6 | N1 | C2 | 121.9° | 120.4° |
C6 | C5 | CAX | 120.7° | 119.9° |
C6 | C5 | C4 | 117.4° | 118.3° |
N1 | C2 | NAF | 121.3° | 118.6° |
N1 | C2 | N3 | 126.2° | 122.7° |
CAM | CAK | NAE | 109.3° | 108.5° |
CAK | CAM | NAF | 108.4° | 109.4° |
CAM | CAK | HAL | 109.5° | 109.6° |
CAM | CAK | HAK | 109.5° | 109.6° |
CAK | CAM | HAO | 109.7° | 109.5° |
CAK | CAM | HAP | 109.7° | 109.5° |
CAK | NAE | CAP | 125.0° | 120.9° |
CAK | NAE | CAL | 118.1° | 118.2° |
NAE | CAK | HAL | 109.5° | 109.6° |
NAE | CAK | HAK | 109.5° | 109.7° |
CAM | NAF | C2 | 121.0° | 111.0° |
CAM | NAF | CAN | 122.7° | 111.1° |
NAF | CAM | HAO | 109.7° | 109.6° |
NAF | CAM | HAP | 109.8° | 109.4° |
CAR | OAA | CAJ | 100.3° | 107.0° |
OAA | CAR | CAQ | 104.4° | 107.3° |
OAA | CAR | HAX | 110.7° | 109.9° |
OAA | CAR | HAW | 110.7° | 110.0° |
OAA | CAJ | CAP | 109.1° | 110.6° |
OAA | CAJ | CAO | 101.1° | 103.5° |
OAA | CAJ | HAJ | 111.8° | 110.7° |
CAX | C5 | C4 | 121.9° | 121.8° |
C5 | CAX | HAZ | 120.8° | 120.1° |
C5 | C4 | N3 | 118.6° | 118.3° |
C5 | C4 | NAI | 122.9° | 120.8° |
NAF | C2 | N3 | 112.4° | 118.7° |
C2 | NAF | CAN | 114.8° | 110.8° |
C2 | N3 | C4 | 120.3° | 121.5° |
NAF | CAN | CAL | 117.8° | 109.3° |
NAF | CAN | HAR | 107.4° | 109.5° |
NAF | CAN | HAQ | 107.4° | 109.5° |
CAR | CAQ | CAO | 101.1° | 104.2° |
CAR | CAQ | HAV | 111.5° | 110.4° |
CAR | CAQ | HAU | 111.5° | 110.6° |
CAQ | CAR | HAX | 110.7° | 109.9° |
CAQ | CAR | HAW | 110.7° | 109.8° |
CAP | CAJ | CAO | 114.2° | 110.6° |
CAJ | CAP | NAE | 123.1° | 120.0° |
CAJ | CAP | OAB | 115.2° | 120.0° |
CAP | CAJ | HAJ | 110.3° | 110.6° |
CAJ | CAO | CAQ | 101.5° | 102.1° |
CAJ | CAO | HAS | 111.4° | 110.9° |
CAJ | CAO | HAT | 111.4° | 111.0° |
CAO | CAJ | HAJ | 110.1° | 110.7° |
CAP | NAE | CAL | 116.9° | 120.9° |
NAE | CAP | OAB | 121.7° | 120.0° |
NAE | CAL | CAN | 113.0° | 108.5° |
NAE | CAL | HAN | 108.6° | 109.7° |
NAE | CAL | HAM | 108.6° | 109.6° |
N3 | C4 | NAI | 118.5° | 120.9° |
C4 | NAI | HBG | 109.5° | 120.0° |
C4 | NAI | HAI | 109.4° | 119.9° |
CAQ | CAO | HAS | 111.4° | 110.9° |
CAQ | CAO | HAT | 111.4° | 110.9° |
CAO | CAQ | HAV | 111.5° | 110.5° |
CAO | CAQ | HAU | 111.5° | 110.5° |
CAN | CAL | HAN | 108.6° | 109.6° |
CAN | CAL | HAM | 108.6° | 109.8° |
CAL | CAN | HAR | 107.4° | 109.5° |
CAL | CAN | HAQ | 107.4° | 109.5° |
HAS | CAO | HAT | 109.5° | 110.8° |
HAV | CAQ | HAU | 109.5° | 110.4° |
HAX | CAR | HAW | 109.5° | 109.9° |
HAN | CAL | HAM | 109.5° | 109.6° |
HAR | CAN | HAQ | 109.5° | 109.5° |
HAL | CAK | HAK | 109.5° | 109.8° |
HAO | CAM | HAP | 109.5° | 109.5° |
HBA | CBA | HBC | 109.5° | 109.5° |
HBA | CBA | HBB | 109.5° | 109.5° |
HBC | CBA | HBB | 109.4° | 109.5° |
HBE | CBB | HBD | 109.4° | 109.4° |
HBE | CBB | HBF | 109.5° | 109.5° |
HBD | CBB | HBF | 109.4° | 109.5° |
HBG | NAI | HAI | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CBA | OAC | CAY | CAW | 18.2° | 0.0° |
CBA | OAC | CAY | CAZ | 164.4° | 180.0° |
OAC | CBA | HBA | HBC | 120.0° | 120.0° |
OAC | CBA | HBA | HBB | 120.0° | 120.0° |
OAC | CBA | HBC | HBB | 120.0° | 120.0° |
OAC | CAY | CAW | CAZ | 177.2° | 180.0° |
OAC | CAY | CAW | C6 | 179.2° | 180.0° |
OAC | CAY | CAZ | OAD | 0.3° | 0.0° |
OAC | CAY | CAZ | CAX | 180.0° | 180.0° |
OAC | CAY | CAW | HAY | 0.8° | 0.1° |
CAY | OAC | CBA | HBA | 180.0° | 180.0° |
CAY | OAC | CBA | HBC | 60.0° | 60.0° |
CAY | OAC | CBA | HBB | 60.0° | 60.0° |
CAY | CAW | C6 | HAY | 180.0° | 179.9° |
CAW | CAY | CAZ | OAD | 177.9° | 180.0° |
CAW | CAY | CAZ | CAX | 2.5° | 0.0° |
CAY | CAW | C6 | N1 | 179.6° | 180.0° |
CAY | CAW | C6 | C5 | 2.8° | 0.1° |
CAZ | CAY | CAW | C6 | 3.5° | 0.1° |
CAY | CAZ | OAD | CAX | 179.6° | 180.0° |
CAY | CAZ | OAD | CBB | 174.8° | 180.0° |
CAY | CAZ | CAX | C5 | 0.5° | 0.0° |
CAZ | CAY | CAW | HAY | 176.5° | 179.9° |
CAY | CAZ | CAX | HAZ | 179.5° | 180.0° |
CAW | C6 | N1 | C5 | 177.7° | 179.9° |
CAW | C6 | N1 | C2 | 179.3° | 180.0° |
CAW | C6 | C5 | CAX | 1.0° | 0.1° |
CAW | C6 | C5 | C4 | 179.7° | 179.7° |
OAD | CAZ | CAX | C5 | 179.9° | 180.0° |
CAZ | OAD | CBB | HBE | 180.0° | 180.0° |
CAZ | OAD | CBB | HBD | 60.0° | 60.0° |
CAZ | OAD | CBB | HBF | 60.0° | 60.0° |
OAD | CAZ | CAX | HAZ | 0.1° | 0.0° |
CBB | OAD | CAZ | CAX | 5.5° | 0.0° |
OAD | CBB | HBE | HBD | 120.0° | 120.0° |
OAD | CBB | HBE | HBF | 120.0° | 120.0° |
OAD | CBB | HBD | HBF | 120.0° | 120.0° |
CAZ | CAX | C5 | C6 | 0.2° | 0.1° |
CAZ | CAX | C5 | HAZ | 180.0° | 180.0° |
CAZ | CAX | C5 | C4 | 179.0° | 179.8° |
N1 | C6 | C5 | CAX | 178.7° | 180.0° |
N1 | C6 | C5 | C4 | 2.0° | 0.2° |
C6 | N1 | C2 | NAF | 179.8° | 180.0° |
C6 | N1 | C2 | N3 | 2.3° | 0.3° |
N1 | C6 | CAW | HAY | 0.3° | 0.1° |
C5 | C6 | N1 | C2 | 3.1° | 0.1° |
C6 | C5 | CAX | C4 | 179.2° | 179.9° |
C6 | C5 | C4 | N3 | 0.2° | 0.2° |
C6 | C5 | C4 | NAI | 180.0° | 180.0° |
C5 | C6 | CAW | HAY | 177.2° | 180.0° |
C6 | C5 | CAX | HAZ | 179.8° | 179.9° |
N1 | C2 | NAF | CAM | 12.6° | 179.7° |
N1 | C2 | NAF | N3 | 177.9° | 179.7° |
N1 | C2 | NAF | CAN | 179.2° | 56.3° |
N1 | C2 | N3 | C4 | 0.1° | 0.3° |
CAM | CAK | NAE | HAL | 120.0° | 119.7° |
CAM | CAK | NAE | HAK | 120.0° | 119.7° |
CAK | CAM | NAF | HAO | 119.8° | 120.0° |
CAK | CAM | NAF | HAP | 119.9° | 119.9° |
CAK | CAM | NAF | C2 | 156.8° | 172.8° |
CAK | CAM | NAF | CAN | 37.6° | 63.4° |
CAM | CAK | NAE | CAP | 122.2° | 128.8° |
CAM | CAK | NAE | CAL | 59.6° | 50.9° |
CAM | CAK | HAL | HAK | 120.1° | 120.5° |
CAK | CAM | HAO | HAP | 120.5° | 120.0° |
NAE | CAK | CAM | NAF | 58.9° | 53.9° |
CAK | NAE | CAP | CAJ | 0.3° | 0.4° |
CAK | NAE | CAP | CAL | 178.2° | 179.6° |
CAK | NAE | CAP | OAB | 177.4° | 179.7° |
CAK | NAE | CAL | CAN | 31.4° | 50.9° |
CAK | NAE | CAL | HAN | 89.2° | 68.8° |
CAK | NAE | CAL | HAM | 151.9° | 170.8° |
NAE | CAK | HAL | HAK | 120.1° | 120.5° |
NAE | CAK | CAM | HAO | 60.9° | 66.1° |
NAE | CAK | CAM | HAP | 178.8° | 173.8° |
CAM | NAF | C2 | CAN | 166.6° | 124.0° |
CAM | NAF | C2 | N3 | 169.6° | 0.1° |
CAM | NAF | CAN | CAL | 11.5° | 63.4° |
CAM | NAF | CAN | HAR | 109.7° | 176.6° |
CAM | NAF | CAN | HAQ | 132.7° | 56.6° |
NAF | CAM | CAK | HAL | 61.0° | 173.6° |
NAF | CAM | CAK | HAK | 178.9° | 65.9° |
NAF | CAM | HAO | HAP | 120.5° | 120.0° |
OAA | CAR | CAQ | HAX | 119.2° | 119.4° |
OAA | CAR | CAQ | HAW | 119.2° | 119.6° |
CAR | OAA | CAJ | CAP | 64.0° | 158.5° |
CAR | OAA | CAJ | CAO | 56.6° | 40.0° |
OAA | CAR | CAQ | CAO | 14.4° | 2.1° |
OAA | CAR | CAQ | HAV | 133.0° | 120.7° |
OAA | CAR | CAQ | HAU | 104.3° | 116.7° |
OAA | CAR | HAX | HAW | 122.3° | 121.2° |
CAR | OAA | CAJ | HAJ | 173.7° | 78.6° |
CAJ | OAA | CAR | CAQ | 44.2° | 26.5° |
OAA | CAJ | CAP | CAO | 112.3° | 114.1° |
OAA | CAJ | CAP | HAJ | 123.2° | 122.9° |
OAA | CAJ | CAO | HAJ | 118.4° | 118.6° |
OAA | CAJ | CAP | NAE | 77.5° | 176.4° |
OAA | CAJ | CAP | OAB | 100.3° | 3.5° |
OAA | CAJ | CAO | CAQ | 46.7° | 37.0° |
OAA | CAJ | CAO | HAS | 72.1° | 81.2° |
OAA | CAJ | CAO | HAT | 165.4° | 155.2° |
CAJ | OAA | CAR | HAX | 75.0° | 92.9° |
CAJ | OAA | CAR | HAW | 163.4° | 146.0° |
CAX | C5 | C4 | N3 | 179.4° | 179.9° |
CAX | C5 | C4 | NAI | 0.7° | 0.1° |
C5 | C4 | N3 | C2 | 0.9° | 0.0° |
C5 | C4 | N3 | NAI | 179.9° | 179.8° |
C4 | C5 | CAX | HAZ | 1.0° | 0.2° |
C5 | C4 | NAI | HBG | 179.9° | 0.1° |
C5 | C4 | NAI | HAI | 60.1° | 180.0° |
NAF | C2 | N3 | C4 | 177.8° | 180.0° |
C2 | NAF | CAN | CAL | 177.9° | 172.7° |
C2 | NAF | CAN | HAR | 56.7° | 52.7° |
C2 | NAF | CAN | HAQ | 61.0° | 67.3° |
C2 | NAF | CAM | HAO | 83.3° | 67.2° |
C2 | NAF | CAM | HAP | 37.0° | 52.9° |
N3 | C2 | NAF | CAN | 3.0° | 124.0° |
C2 | N3 | C4 | NAI | 179.0° | 179.8° |
NAF | CAN | CAL | NAE | 6.0° | 53.8° |
NAF | CAN | CAL | HAR | 121.2° | 119.9° |
NAF | CAN | CAL | HAQ | 121.2° | 119.9° |
NAF | CAN | CAL | HAN | 114.5° | 65.9° |
NAF | CAN | CAL | HAM | 126.5° | 173.6° |
NAF | CAN | HAR | HAQ | 116.2° | 120.0° |
CAN | NAF | CAM | HAO | 82.2° | 56.6° |
CAN | NAF | CAM | HAP | 157.5° | 176.7° |
CAR | CAQ | CAO | CAJ | 18.1° | 20.8° |
CAR | CAQ | CAO | HAV | 118.6° | 118.6° |
CAR | CAQ | CAO | HAU | 118.6° | 118.8° |
CAR | CAQ | CAO | HAS | 100.6° | 97.3° |
CAR | CAQ | CAO | HAT | 136.8° | 139.1° |
CAR | CAQ | HAV | HAU | 123.9° | 122.7° |
CAQ | CAR | HAX | HAW | 122.4° | 121.0° |
CAP | CAJ | CAO | HAJ | 124.6° | 122.9° |
CAJ | CAP | NAE | OAB | 177.7° | 179.9° |
CAJ | CAP | NAE | CAL | 178.4° | 180.0° |
CAP | CAJ | CAO | CAQ | 70.3° | 155.5° |
CAP | CAJ | CAO | HAS | 171.0° | 37.3° |
CAP | CAJ | CAO | HAT | 48.4° | 86.3° |
CAO | CAJ | CAP | NAE | 170.2° | 69.5° |
CAO | CAJ | CAP | OAB | 12.0° | 110.6° |
CAJ | CAO | CAQ | HAS | 118.7° | 118.2° |
CAJ | CAO | CAQ | HAT | 118.7° | 118.3° |
CAJ | CAO | HAS | HAT | 123.7° | 123.7° |
CAJ | CAO | CAQ | HAV | 100.6° | 97.8° |
CAJ | CAO | CAQ | HAU | 136.7° | 139.7° |
CAP | NAE | CAL | CAN | 150.3° | 128.7° |
NAE | CAP | CAJ | HAJ | 45.7° | 53.4° |
CAP | NAE | CAL | HAN | 89.1° | 111.5° |
CAP | NAE | CAL | HAM | 29.8° | 8.8° |
CAP | NAE | CAK | HAL | 117.8° | 9.1° |
CAP | NAE | CAK | HAK | 2.3° | 111.5° |
CAL | NAE | CAP | OAB | 0.8° | 0.1° |
NAE | CAL | CAN | HAN | 120.5° | 119.8° |
NAE | CAL | CAN | HAM | 120.5° | 119.8° |
NAE | CAL | HAN | HAM | 118.4° | 120.4° |
NAE | CAL | CAN | HAR | 115.2° | 173.8° |
NAE | CAL | CAN | HAQ | 127.1° | 66.1° |
CAL | NAE | CAK | HAL | 60.4° | 170.5° |
CAL | NAE | CAK | HAK | 179.6° | 68.9° |
N3 | C4 | NAI | HBG | 0.0° | 179.7° |
N3 | C4 | NAI | HAI | 120.0° | 0.2° |
C4 | NAI | HBG | HAI | 120.0° | 179.9° |
OAB | CAP | CAJ | HAJ | 136.5° | 126.4° |
CAQ | CAO | HAS | HAT | 123.7° | 123.6° |
CAO | CAQ | HAV | HAU | 123.9° | 122.6° |
CAO | CAQ | CAR | HAX | 104.8° | 117.4° |
CAO | CAQ | CAR | HAW | 133.5° | 121.6° |
CAQ | CAO | CAJ | HAJ | 165.0° | 81.6° |
CAN | CAL | HAN | HAM | 118.4° | 120.5° |
CAL | CAN | HAR | HAQ | 116.2° | 120.1° |
HAS | CAO | CAQ | HAV | 140.7° | 144.1° |
HAS | CAO | CAQ | HAU | 18.0° | 21.5° |
HAS | CAO | CAJ | HAJ | 46.3° | 160.2° |
HAT | CAO | CAQ | HAV | 18.2° | 20.5° |
HAT | CAO | CAQ | HAU | 104.6° | 102.0° |
HAT | CAO | CAJ | HAJ | 76.3° | 36.6° |
HAV | CAQ | CAR | HAX | 13.8° | 1.3° |
HAV | CAQ | CAR | HAW | 107.8° | 119.7° |
HAU | CAQ | CAR | HAX | 136.5° | 123.8° |
HAU | CAQ | CAR | HAW | 14.9° | 2.8° |
HAN | CAL | CAN | HAR | 124.2° | 54.0° |
HAN | CAL | CAN | HAQ | 6.6° | 174.1° |
HAM | CAL | CAN | HAR | 5.3° | 66.4° |
HAM | CAL | CAN | HAQ | 112.3° | 53.7° |
HAL | CAK | CAM | HAO | 179.2° | 53.5° |
HAL | CAK | CAM | HAP | 58.8° | 66.6° |
HAK | CAK | CAM | HAO | 59.1° | 174.1° |
HAK | CAK | CAM | HAP | 61.2° | 54.0° |
HBA | CBA | HBC | HBB | 120.0° | 120.0° |
HBE | CBB | HBD | HBF | 120.0° | 120.0° |