DZK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAU | sing | 1.38Å | 1.39Å | Aromatic |
| CAS | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| OAP | CAN | doub | 1.21Å | 1.25Å | |
| CAW | CAR | sing | 1.51Å | 1.41Å | |
| OAO | CAN | sing | 1.34Å | 1.25Å | |
| CAN | CAM | sing | 1.51Å | 1.51Å | |
| CAR | SAQ | sing | 1.81Å | 1.85Å | |
| SAQ | CAM | sing | 1.81Å | 1.78Å | |
| CAM | CAK | sing | 1.53Å | 1.53Å | |
| CAK | CAJ | sing | 1.51Å | 1.52Å | |
| OAL | CAJ | doub | 1.21Å | 1.23Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| OAO | H5 | sing | 0.97Å | 0.95Å | |
| CAR | H6 | sing | 1.09Å | 1.10Å | |
| CAR | H7 | sing | 1.09Å | 1.10Å | |
| CAV | H8 | sing | 1.08Å | 1.08Å | |
| CAU | H9 | sing | 1.08Å | 1.08Å | |
| CAT | H10 | sing | 1.08Å | 1.08Å | |
| CAS | H11 | sing | 1.08Å | 1.08Å | |
| CAX | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | O1 | sing | 1.34Å | 1.34Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAS | CAT | CAU | 119.0° | 120.0° |
| CAT | CAS | CAX | 121.4° | 120.0° |
| CAS | CAT | H10 | 120.5° | 120.0° |
| CAT | CAS | H11 | 119.3° | 120.0° |
| CAT | CAU | CAV | 119.5° | 120.0° |
| CAT | CAU | H9 | 120.3° | 120.0° |
| CAU | CAT | H10 | 120.5° | 120.0° |
| CAS | CAX | CAW | 119.9° | 120.0° |
| CAX | CAS | H11 | 119.3° | 120.0° |
| CAS | CAX | H12 | 120.1° | 120.0° |
| CAU | CAV | CAW | 121.5° | 120.0° |
| CAU | CAV | H8 | 119.2° | 120.0° |
| CAV | CAU | H9 | 120.3° | 120.0° |
| CAX | CAW | CAV | 118.7° | 120.0° |
| CAX | CAW | CAR | 120.0° | 120.0° |
| CAW | CAX | H12 | 120.1° | 120.0° |
| CAV | CAW | CAR | 121.2° | 120.0° |
| CAW | CAV | H8 | 119.2° | 120.0° |
| OAP | CAN | OAO | 127.3° | 120.0° |
| OAP | CAN | CAM | 116.4° | 120.1° |
| CAW | CAR | SAQ | 115.5° | 109.5° |
| CAW | CAR | H6 | 108.0° | 109.5° |
| CAW | CAR | H7 | 107.9° | 109.5° |
| OAO | CAN | CAM | 116.3° | 120.0° |
| CAN | OAO | H5 | 109.5° | 117.0° |
| CAN | CAM | SAQ | 107.5° | 109.5° |
| CAN | CAM | CAK | 108.8° | 109.5° |
| CAN | CAM | H4 | 111.1° | 109.4° |
| CAR | SAQ | CAM | 101.4° | 103.0° |
| SAQ | CAR | H6 | 107.9° | 109.5° |
| SAQ | CAR | H7 | 107.9° | 109.5° |
| SAQ | CAM | CAK | 110.9° | 109.5° |
| SAQ | CAM | H4 | 107.8° | 109.5° |
| CAM | CAK | CAJ | 108.2° | 109.5° |
| CAM | CAK | H2 | 109.8° | 109.5° |
| CAM | CAK | H3 | 109.8° | 109.5° |
| CAK | CAM | H4 | 110.8° | 109.5° |
| CAK | CAJ | OAL | 121.1° | 120.0° |
| CAJ | CAK | H2 | 109.8° | 109.4° |
| CAJ | CAK | H3 | 109.8° | 109.5° |
| CAK | CAJ | O1 | 115.8° | 120.0° |
| OAL | CAJ | O1 | 123.0° | 120.0° |
| H2 | CAK | H3 | 109.5° | 109.5° |
| H6 | CAR | H7 | 109.5° | 109.4° |
| CAJ | O1 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAS | CAT | CAU | H10 | 180.0° | 179.8° |
| CAT | CAS | CAX | H11 | 180.0° | 179.8° |
| CAS | CAT | CAU | CAV | 0.0° | 0.0° |
| CAT | CAS | CAX | CAW | 0.0° | 0.5° |
| CAS | CAT | CAU | H9 | 180.0° | 180.0° |
| CAT | CAS | CAX | H12 | 180.0° | 180.0° |
| CAU | CAT | CAS | CAX | 0.1° | 0.2° |
| CAT | CAU | CAV | H9 | 180.0° | 180.0° |
| CAT | CAU | CAV | CAW | 0.1° | 0.1° |
| CAT | CAU | CAV | H8 | 179.9° | 179.9° |
| CAU | CAT | CAS | H11 | 179.9° | 180.0° |
| CAS | CAX | CAW | H12 | 180.0° | 179.5° |
| CAS | CAX | CAW | CAV | 0.1° | 0.6° |
| CAS | CAX | CAW | CAR | 179.8° | 179.7° |
| CAX | CAS | CAT | H10 | 179.9° | 180.0° |
| CAU | CAV | CAW | CAX | 0.2° | 0.4° |
| CAU | CAV | CAW | H8 | 180.0° | 179.9° |
| CAU | CAV | CAW | CAR | 179.8° | 179.9° |
| CAV | CAU | CAT | H10 | 179.9° | 179.8° |
| CAX | CAW | CAV | CAR | 179.7° | 179.7° |
| CAX | CAW | CAR | SAQ | 160.3° | 90.2° |
| CAX | CAW | CAR | H6 | 39.4° | 149.7° |
| CAX | CAW | CAR | H7 | 78.9° | 29.8° |
| CAX | CAW | CAV | H8 | 179.8° | 179.8° |
| CAW | CAX | CAS | H11 | 180.0° | 179.7° |
| CAV | CAW | CAR | SAQ | 20.0° | 90.0° |
| CAV | CAW | CAR | H6 | 140.9° | 30.0° |
| CAV | CAW | CAR | H7 | 100.8° | 150.0° |
| CAW | CAV | CAU | H9 | 179.9° | 179.9° |
| CAV | CAW | CAX | H12 | 179.9° | 179.9° |
| OAP | CAN | OAO | CAM | 178.2° | 179.9° |
| OAP | CAN | CAM | SAQ | 71.3° | 110.0° |
| OAP | CAN | CAM | CAK | 168.5° | 130.0° |
| OAP | CAN | CAM | H4 | 46.3° | 10.1° |
| OAP | CAN | OAO | H5 | 0.0° | 0.1° |
| CAW | CAR | SAQ | H6 | 120.9° | 120.0° |
| CAW | CAR | SAQ | H7 | 120.9° | 120.0° |
| CAW | CAR | SAQ | CAM | 149.7° | 180.0° |
| CAW | CAR | H6 | H7 | 117.3° | 120.0° |
| CAR | CAW | CAV | H8 | 0.2° | 0.1° |
| CAR | CAW | CAX | H12 | 0.2° | 0.2° |
| OAO | CAN | CAM | SAQ | 107.1° | 70.0° |
| OAO | CAN | CAM | CAK | 13.1° | 50.1° |
| OAO | CAN | CAM | H4 | 135.3° | 170.0° |
| CAN | CAM | SAQ | CAR | 58.7° | 65.0° |
| CAN | CAM | SAQ | CAK | 118.8° | 120.0° |
| CAN | CAM | SAQ | H4 | 119.8° | 120.0° |
| CAN | CAM | CAK | H4 | 122.4° | 119.9° |
| CAN | CAM | CAK | CAJ | 154.8° | 174.9° |
| CAN | CAM | CAK | H2 | 35.0° | 55.0° |
| CAN | CAM | CAK | H3 | 85.4° | 65.0° |
| CAM | CAN | OAO | H5 | 178.2° | 180.0° |
| CAR | SAQ | CAM | CAK | 60.1° | 175.0° |
| CAR | SAQ | CAM | H4 | 178.5° | 55.0° |
| SAQ | CAR | H6 | H7 | 117.3° | 120.0° |
| SAQ | CAM | CAK | H4 | 119.6° | 120.0° |
| SAQ | CAM | CAK | CAJ | 36.8° | 65.0° |
| SAQ | CAM | CAK | H2 | 83.0° | 175.0° |
| SAQ | CAM | CAK | H3 | 156.6° | 55.0° |
| CAM | SAQ | CAR | H6 | 89.4° | 60.0° |
| CAM | SAQ | CAR | H7 | 28.9° | 60.0° |
| CAM | CAK | CAJ | H2 | 119.8° | 120.0° |
| CAM | CAK | CAJ | H3 | 119.8° | 120.0° |
| CAM | CAK | CAJ | OAL | 69.8° | 0.3° |
| CAM | CAK | H2 | H3 | 120.6° | 120.0° |
| CAM | CAK | CAJ | O1 | 108.6° | 180.0° |
| CAK | CAJ | OAL | O1 | 178.2° | 179.8° |
| CAJ | CAK | H2 | H3 | 120.6° | 120.0° |
| CAJ | CAK | CAM | H4 | 82.8° | 55.0° |
| CAK | CAJ | O1 | H1 | 178.3° | 179.7° |
| OAL | CAJ | CAK | H2 | 50.0° | 119.7° |
| OAL | CAJ | CAK | H3 | 170.4° | 120.3° |
| OAL | CAJ | O1 | H1 | 0.0° | 0.0° |
| H2 | CAK | CAM | H4 | 157.4° | 64.9° |
| H2 | CAK | CAJ | O1 | 131.7° | 60.0° |
| H3 | CAK | CAM | H4 | 37.0° | 175.0° |
| H3 | CAK | CAJ | O1 | 11.2° | 60.0° |
| H8 | CAV | CAU | H9 | 0.1° | 0.1° |
| H9 | CAU | CAT | H10 | 0.1° | 0.3° |
| H10 | CAT | CAS | H11 | 0.1° | 0.2° |
| H11 | CAS | CAX | H12 | 0.0° | 0.2° |
