8Z8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBB | NBC | sing | 1.33Å | 1.33Å | Aromatic |
| CBB | NBA | doub | 1.31Å | 1.32Å | Aromatic |
| NBC | CAD | doub | 1.33Å | 1.38Å | Aromatic |
| NBA | NAC | sing | 1.40Å | 1.35Å | Aromatic |
| CAY | CAZ | sing | 1.54Å | 1.36Å | |
| CAY | CAK | sing | 1.55Å | 1.51Å | |
| CAD | NAC | sing | 1.37Å | 1.29Å | Aromatic |
| CAD | NAE | sing | 1.34Å | 1.34Å | Aromatic |
| NAC | CAB | sing | 1.36Å | 1.37Å | Aromatic |
| CAZ | CAU | sing | 1.55Å | 1.50Å | |
| CAK | NAH | sing | 1.48Å | 1.36Å | |
| CAK | CAJ | sing | 1.54Å | 1.50Å | |
| NAE | CAF | doub | 1.32Å | 1.33Å | Aromatic |
| CAB | NAH | sing | 1.37Å | 1.42Å | |
| CAB | CAA | doub | 1.39Å | 1.42Å | Aromatic |
| NAH | CAU | sing | 1.48Å | 1.37Å | |
| CAJ | CAI | sing | 1.53Å | 1.54Å | |
| OAW | CAI | sing | 1.43Å | 1.29Å | |
| OAW | CAX | sing | 1.43Å | 1.40Å | |
| CAU | CAV | sing | 1.54Å | 1.51Å | |
| CAF | CAA | sing | 1.40Å | 1.40Å | Aromatic |
| CAF | CL1 | sing | 1.74Å | 1.70Å | |
| CAA | CAL | sing | 1.48Å | 1.51Å | |
| CAI | CAV | sing | 1.53Å | 1.53Å | |
| FAT | CAQ | sing | 1.35Å | 1.30Å | |
| CAL | CAQ | doub | 1.39Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAP | sing | 1.38Å | 1.39Å | Aromatic |
| FAS | CAM | sing | 1.35Å | 1.31Å | |
| CAM | CAN | doub | 1.38Å | 1.38Å | Aromatic |
| CAP | CAO | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | sing | 1.39Å | 1.39Å | Aromatic |
| CAO | FAR | sing | 1.35Å | 1.31Å | |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAN | H5 | sing | 1.08Å | 1.08Å | |
| CAP | H6 | sing | 1.08Å | 1.08Å | |
| CAU | H7 | sing | 1.09Å | 1.10Å | |
| CAV | H8 | sing | 1.09Å | 1.10Å | |
| CAV | H9 | sing | 1.09Å | 1.10Å | |
| CAX | H10 | sing | 1.09Å | 1.10Å | |
| CAX | H11 | sing | 1.09Å | 1.10Å | |
| CAX | H12 | sing | 1.09Å | 1.10Å | |
| CAY | H13 | sing | 1.09Å | 1.10Å | |
| CAY | H14 | sing | 1.09Å | 1.10Å | |
| CAZ | H15 | sing | 1.09Å | 1.10Å | |
| CAZ | H16 | sing | 1.09Å | 1.10Å | |
| CBB | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NBC | CBB | NBA | 107.6° | 109.6° |
| CBB | NBC | CAD | 107.2° | 109.8° |
| NBC | CBB | H17 | 126.2° | 125.2° |
| CBB | NBA | NAC | 108.9° | 107.0° |
| NBA | CBB | H17 | 126.2° | 125.1° |
| NBC | CAD | NAC | 108.0° | 107.2° |
| NBC | CAD | NAE | 129.1° | 132.2° |
| NBA | NAC | CAD | 108.2° | 106.4° |
| NBA | NAC | CAB | 130.5° | 133.2° |
| CAZ | CAY | CAK | 106.7° | 104.8° |
| CAY | CAZ | CAU | 106.4° | 104.7° |
| CAZ | CAY | H13 | 110.2° | 110.4° |
| CAZ | CAY | H14 | 110.1° | 110.4° |
| CAY | CAZ | H15 | 110.2° | 110.4° |
| CAY | CAZ | H16 | 110.2° | 110.4° |
| CAY | CAK | NAH | 97.8° | 104.3° |
| CAY | CAK | CAJ | 108.6° | 107.9° |
| CAY | CAK | H4 | 111.1° | 112.7° |
| CAK | CAY | H13 | 110.2° | 110.4° |
| CAK | CAY | H14 | 110.2° | 110.4° |
| NAC | CAD | NAE | 122.9° | 120.7° |
| CAD | NAC | CAB | 121.3° | 120.4° |
| CAD | NAE | CAF | 120.5° | 121.3° |
| NAC | CAB | NAH | 117.8° | 120.7° |
| NAC | CAB | CAA | 117.9° | 118.6° |
| CAZ | CAU | NAH | 98.3° | 104.3° |
| CAZ | CAU | CAV | 107.9° | 107.8° |
| CAZ | CAU | H7 | 111.2° | 112.7° |
| CAU | CAZ | H15 | 110.3° | 110.3° |
| CAU | CAZ | H16 | 110.2° | 110.4° |
| NAH | CAK | CAJ | 113.8° | 107.3° |
| CAK | NAH | CAB | 124.6° | 128.3° |
| CAK | NAH | CAU | 109.0° | 103.5° |
| NAH | CAK | H4 | 113.5° | 112.2° |
| CAK | CAJ | CAI | 109.4° | 108.9° |
| CAK | CAJ | H2 | 109.5° | 109.6° |
| CAK | CAJ | H3 | 109.5° | 109.7° |
| CAJ | CAK | H4 | 111.2° | 112.0° |
| NAE | CAF | CAA | 119.5° | 120.3° |
| NAE | CAF | CL1 | 121.2° | 119.8° |
| NAH | CAB | CAA | 124.3° | 120.7° |
| CAB | NAH | CAU | 124.8° | 128.2° |
| CAB | CAA | CAF | 118.0° | 118.8° |
| CAB | CAA | CAL | 124.0° | 120.6° |
| NAH | CAU | CAV | 114.1° | 107.2° |
| NAH | CAU | H7 | 113.4° | 112.2° |
| CAJ | CAI | OAW | 105.7° | 109.4° |
| CAJ | CAI | CAV | 116.7° | 109.7° |
| CAJ | CAI | H1 | 108.2° | 109.4° |
| CAI | CAJ | H2 | 109.5° | 109.6° |
| CAI | CAJ | H3 | 109.5° | 109.6° |
| CAI | OAW | CAX | 115.1° | 114.0° |
| OAW | CAI | CAV | 106.2° | 109.4° |
| OAW | CAI | H1 | 111.9° | 109.5° |
| OAW | CAX | H10 | 109.5° | 109.5° |
| OAW | CAX | H11 | 109.5° | 109.5° |
| OAW | CAX | H12 | 109.5° | 109.5° |
| CAU | CAV | CAI | 109.3° | 108.9° |
| CAV | CAU | H7 | 111.1° | 112.1° |
| CAU | CAV | H8 | 109.5° | 109.6° |
| CAU | CAV | H9 | 109.5° | 109.6° |
| CAA | CAF | CL1 | 119.4° | 119.9° |
| CAF | CAA | CAL | 118.0° | 120.6° |
| CAA | CAL | CAQ | 119.4° | 120.1° |
| CAA | CAL | CAM | 118.0° | 120.1° |
| CAV | CAI | H1 | 108.2° | 109.4° |
| CAI | CAV | H8 | 109.5° | 109.5° |
| CAI | CAV | H9 | 109.5° | 109.5° |
| FAT | CAQ | CAL | 120.3° | 120.1° |
| FAT | CAQ | CAP | 120.4° | 120.1° |
| CAQ | CAL | CAM | 122.6° | 119.8° |
| CAL | CAQ | CAP | 119.2° | 119.9° |
| CAL | CAM | FAS | 121.1° | 120.1° |
| CAL | CAM | CAN | 119.0° | 119.9° |
| CAQ | CAP | CAO | 117.1° | 120.1° |
| CAQ | CAP | H6 | 121.5° | 119.9° |
| FAS | CAM | CAN | 119.9° | 120.1° |
| CAM | CAN | CAO | 117.0° | 120.1° |
| CAM | CAN | H5 | 121.5° | 119.9° |
| CAP | CAO | CAN | 125.0° | 120.3° |
| CAP | CAO | FAR | 117.9° | 119.9° |
| CAO | CAP | H6 | 121.5° | 119.9° |
| CAN | CAO | FAR | 117.1° | 119.8° |
| CAO | CAN | H5 | 121.5° | 120.0° |
| H2 | CAJ | H3 | 109.5° | 109.6° |
| H8 | CAV | H9 | 109.5° | 109.7° |
| H10 | CAX | H11 | 109.5° | 109.5° |
| H10 | CAX | H12 | 109.5° | 109.4° |
| H11 | CAX | H12 | 109.4° | 109.4° |
| H13 | CAY | H14 | 109.5° | 110.4° |
| H15 | CAZ | H16 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NBC | CBB | NBA | H17 | 180.0° | 179.5° |
| NBC | CBB | NBA | NAC | 0.0° | 0.3° |
| CBB | NBC | CAD | NAC | 0.4° | 0.5° |
| CBB | NBC | CAD | NAE | 180.0° | 179.8° |
| NBA | CBB | NBC | CAD | 0.2° | 0.5° |
| CBB | NBA | NAC | CAD | 0.2° | 0.0° |
| CBB | NBA | NAC | CAB | 179.7° | 179.7° |
| NBC | CAD | NAC | NBA | 0.4° | 0.3° |
| NBC | CAD | NAC | NAE | 179.6° | 179.8° |
| NBC | CAD | NAC | CAB | 179.9° | 180.0° |
| NBC | CAD | NAE | CAF | 179.8° | 179.9° |
| CAD | NBC | CBB | H17 | 179.8° | 180.0° |
| NBA | NAC | CAD | CAB | 179.5° | 179.8° |
| NBA | NAC | CAD | NAE | 180.0° | 180.0° |
| NBA | NAC | CAB | NAH | 0.6° | 0.3° |
| NBA | NAC | CAB | CAA | 179.9° | 179.6° |
| NAC | NBA | CBB | H17 | 180.0° | 179.8° |
| CAZ | CAY | CAK | H13 | 119.6° | 118.8° |
| CAZ | CAY | CAK | H14 | 119.5° | 118.8° |
| CAY | CAZ | CAU | H15 | 119.5° | 118.8° |
| CAY | CAZ | CAU | H16 | 119.5° | 118.8° |
| CAZ | CAY | CAK | NAH | 26.1° | 25.2° |
| CAZ | CAY | CAK | CAJ | 92.3° | 88.7° |
| CAY | CAZ | CAU | NAH | 25.7° | 25.1° |
| CAY | CAZ | CAU | CAV | 93.0° | 88.6° |
| CAZ | CAY | CAK | H4 | 145.1° | 147.1° |
| CAY | CAZ | CAU | H7 | 144.9° | 147.0° |
| CAZ | CAY | H13 | H14 | 121.3° | 122.3° |
| CAY | CAZ | H15 | H16 | 121.4° | 122.4° |
| CAK | CAY | CAZ | CAU | 0.3° | 0.0° |
| CAY | CAK | NAH | CAJ | 114.3° | 114.3° |
| CAY | CAK | NAH | H4 | 117.1° | 122.3° |
| CAY | CAK | CAJ | H4 | 122.5° | 124.6° |
| CAY | CAK | NAH | CAB | 120.0° | 138.4° |
| CAY | CAK | NAH | CAU | 46.2° | 41.6° |
| CAY | CAK | CAJ | CAI | 57.5° | 47.8° |
| CAY | CAK | CAJ | H2 | 62.5° | 167.6° |
| CAY | CAK | CAJ | H3 | 177.5° | 72.1° |
| CAK | CAY | H13 | H14 | 121.3° | 122.3° |
| CAK | CAY | CAZ | H15 | 119.8° | 118.8° |
| CAK | CAY | CAZ | H16 | 119.3° | 118.8° |
| NAC | CAD | NAE | CAF | 0.2° | 0.2° |
| CAD | NAC | CAB | NAH | 180.0° | 180.0° |
| CAD | NAC | CAB | CAA | 0.5° | 0.1° |
| NAE | CAD | NAC | CAB | 0.4° | 0.2° |
| CAD | NAE | CAF | CAA | 0.0° | 0.1° |
| CAD | NAE | CAF | CL1 | 180.0° | 180.0° |
| NAC | CAB | NAH | CAK | 31.7° | 115.8° |
| NAC | CAB | NAH | CAA | 179.5° | 179.9° |
| NAC | CAB | NAH | CAU | 132.4° | 64.1° |
| NAC | CAB | CAA | CAF | 0.3° | 0.4° |
| NAC | CAB | CAA | CAL | 179.8° | 180.0° |
| CAZ | CAU | NAH | CAK | 46.3° | 41.6° |
| CAZ | CAU | NAH | CAB | 119.9° | 138.4° |
| CAZ | CAU | NAH | CAV | 114.0° | 114.2° |
| CAZ | CAU | NAH | H7 | 117.4° | 122.3° |
| CAZ | CAU | CAV | H7 | 122.1° | 124.7° |
| CAZ | CAU | CAV | CAI | 58.7° | 47.7° |
| CAZ | CAU | CAV | H8 | 178.7° | 72.1° |
| CAZ | CAU | CAV | H9 | 61.3° | 167.6° |
| CAU | CAZ | CAY | H13 | 119.8° | 118.8° |
| CAU | CAZ | CAY | H14 | 119.3° | 118.8° |
| CAU | CAZ | H15 | H16 | 121.4° | 122.3° |
| NAH | CAK | CAJ | H4 | 129.8° | 123.5° |
| CAK | NAH | CAB | CAU | 164.0° | 180.0° |
| CAK | NAH | CAB | CAA | 148.8° | 64.3° |
| NAH | CAK | CAJ | CAI | 50.2° | 64.1° |
| CAK | NAH | CAU | CAV | 67.7° | 72.6° |
| NAH | CAK | CAJ | H2 | 170.2° | 55.7° |
| NAH | CAK | CAJ | H3 | 69.8° | 176.1° |
| CAK | NAH | CAU | H7 | 163.7° | 163.9° |
| NAH | CAK | CAY | H13 | 145.7° | 93.7° |
| NAH | CAK | CAY | H14 | 93.4° | 144.0° |
| CAJ | CAK | NAH | CAB | 125.7° | 107.3° |
| CAJ | CAK | NAH | CAU | 68.1° | 72.6° |
| CAK | CAJ | CAI | H2 | 120.0° | 119.8° |
| CAK | CAJ | CAI | H3 | 120.0° | 119.9° |
| CAK | CAJ | CAI | OAW | 84.2° | 66.1° |
| CAK | CAJ | CAI | CAV | 33.6° | 53.9° |
| CAK | CAJ | CAI | H1 | 155.8° | 173.9° |
| CAK | CAJ | H2 | H3 | 120.0° | 120.4° |
| CAJ | CAK | CAY | H13 | 27.3° | 152.5° |
| CAJ | CAK | CAY | H14 | 148.2° | 30.1° |
| NAE | CAF | CAA | CAB | 0.0° | 0.4° |
| NAE | CAF | CAA | CL1 | 180.0° | 180.0° |
| NAE | CAF | CAA | CAL | 180.0° | 180.0° |
| CAB | NAH | CAU | CAV | 126.2° | 107.4° |
| NAH | CAB | CAA | CAF | 179.8° | 179.7° |
| NAH | CAB | CAA | CAL | 0.3° | 0.0° |
| CAB | NAH | CAK | H4 | 3.0° | 16.1° |
| CAB | NAH | CAU | H7 | 2.5° | 16.2° |
| CAA | CAB | NAH | CAU | 47.1° | 115.8° |
| CAB | CAA | CAF | CAL | 179.9° | 179.7° |
| CAB | CAA | CAF | CL1 | 180.0° | 179.7° |
| CAB | CAA | CAL | CAQ | 90.5° | 84.3° |
| CAB | CAA | CAL | CAM | 88.9° | 95.4° |
| NAH | CAU | CAV | H7 | 129.8° | 123.6° |
| NAH | CAU | CAV | CAI | 49.4° | 64.0° |
| CAU | NAH | CAK | H4 | 163.2° | 163.9° |
| NAH | CAU | CAV | H8 | 70.6° | 176.2° |
| NAH | CAU | CAV | H9 | 169.3° | 55.8° |
| NAH | CAU | CAZ | H15 | 93.8° | 143.9° |
| NAH | CAU | CAZ | H16 | 145.3° | 93.7° |
| CAJ | CAI | OAW | CAV | 124.6° | 120.2° |
| CAJ | CAI | OAW | H1 | 117.5° | 119.9° |
| CAJ | CAI | OAW | CAX | 156.4° | 89.8° |
| CAJ | CAI | CAV | CAU | 33.1° | 53.9° |
| CAJ | CAI | CAV | H1 | 122.2° | 120.1° |
| CAI | CAJ | H2 | H3 | 120.0° | 120.3° |
| CAI | CAJ | CAK | H4 | 180.0° | 172.4° |
| CAJ | CAI | CAV | H8 | 86.9° | 173.7° |
| CAJ | CAI | CAV | H9 | 153.1° | 65.9° |
| OAW | CAI | CAV | CAU | 84.4° | 66.1° |
| OAW | CAI | CAV | H1 | 120.3° | 120.0° |
| OAW | CAI | CAJ | H2 | 35.8° | 174.1° |
| OAW | CAI | CAJ | H3 | 155.8° | 53.8° |
| OAW | CAI | CAV | H8 | 155.6° | 53.7° |
| OAW | CAI | CAV | H9 | 35.6° | 174.1° |
| CAI | OAW | CAX | H10 | 180.0° | 60.1° |
| CAI | OAW | CAX | H11 | 60.0° | 60.0° |
| CAI | OAW | CAX | H12 | 60.0° | 180.0° |
| CAX | OAW | CAI | CAV | 79.0° | 150.0° |
| CAX | OAW | CAI | H1 | 38.9° | 30.0° |
| OAW | CAX | H10 | H11 | 120.0° | 120.1° |
| OAW | CAX | H10 | H12 | 120.0° | 120.0° |
| OAW | CAX | H11 | H12 | 120.0° | 120.0° |
| CAU | CAV | CAI | H8 | 120.0° | 119.8° |
| CAU | CAV | CAI | H9 | 120.0° | 119.8° |
| CAU | CAV | CAI | H1 | 155.3° | 174.0° |
| CAU | CAV | H8 | H9 | 120.1° | 120.3° |
| CAV | CAU | CAZ | H15 | 147.5° | 30.2° |
| CAV | CAU | CAZ | H16 | 26.5° | 152.5° |
| CAF | CAA | CAL | CAQ | 89.6° | 96.1° |
| CAF | CAA | CAL | CAM | 91.0° | 84.3° |
| CL1 | CAF | CAA | CAL | 0.1° | 0.0° |
| CAA | CAL | CAQ | FAT | 0.5° | 0.1° |
| CAA | CAL | CAQ | CAM | 179.3° | 179.7° |
| CAA | CAL | CAQ | CAP | 179.7° | 179.7° |
| CAA | CAL | CAM | FAS | 0.6° | 0.1° |
| CAA | CAL | CAM | CAN | 179.7° | 180.0° |
| CAV | CAI | CAJ | H2 | 153.5° | 65.9° |
| CAV | CAI | CAJ | H3 | 86.4° | 173.8° |
| CAI | CAV | CAU | H7 | 179.1° | 172.4° |
| CAI | CAV | H8 | H9 | 120.0° | 120.3° |
| FAT | CAQ | CAL | CAP | 179.8° | 179.6° |
| FAT | CAQ | CAL | CAM | 179.8° | 179.8° |
| FAT | CAQ | CAP | CAO | 179.9° | 179.7° |
| FAT | CAQ | CAP | H6 | 0.1° | 0.1° |
| CAQ | CAL | CAM | FAS | 179.9° | 179.7° |
| CAQ | CAL | CAM | CAN | 0.4° | 0.3° |
| CAL | CAQ | CAP | CAO | 0.3° | 0.7° |
| CAL | CAQ | CAP | H6 | 179.7° | 179.7° |
| CAM | CAL | CAQ | CAP | 0.4° | 0.6° |
| CAL | CAM | FAS | CAN | 179.7° | 179.9° |
| CAL | CAM | CAN | CAO | 0.3° | 0.0° |
| CAL | CAM | CAN | H5 | 179.7° | 180.0° |
| CAQ | CAP | CAO | H6 | 180.0° | 179.7° |
| CAQ | CAP | CAO | CAN | 0.2° | 0.3° |
| CAQ | CAP | CAO | FAR | 179.9° | 179.7° |
| FAS | CAM | CAN | CAO | 179.9° | 179.9° |
| FAS | CAM | CAN | H5 | 0.1° | 0.0° |
| CAM | CAN | CAO | CAP | 0.2° | 0.0° |
| CAM | CAN | CAO | H5 | 180.0° | 180.0° |
| CAM | CAN | CAO | FAR | 179.9° | 179.9° |
| CAP | CAO | CAN | FAR | 179.9° | 179.9° |
| CAP | CAO | CAN | H5 | 179.8° | 179.9° |
| CAN | CAO | CAP | H6 | 179.8° | 180.0° |
| FAR | CAO | CAN | H5 | 0.1° | 0.0° |
| FAR | CAO | CAP | H6 | 0.1° | 0.1° |
| H1 | CAI | CAJ | H2 | 84.2° | 54.1° |
| H1 | CAI | CAJ | H3 | 35.9° | 66.1° |
| H1 | CAI | CAV | H8 | 35.3° | 66.2° |
| H1 | CAI | CAV | H9 | 84.7° | 54.1° |
| H2 | CAJ | CAK | H4 | 60.0° | 67.8° |
| H3 | CAJ | CAK | H4 | 60.0° | 52.5° |
| H4 | CAK | CAY | H13 | 95.3° | 28.3° |
| H4 | CAK | CAY | H14 | 25.5° | 94.1° |
| H7 | CAU | CAV | H8 | 59.2° | 52.6° |
| H7 | CAU | CAV | H9 | 60.9° | 67.8° |
| H7 | CAU | CAZ | H15 | 25.4° | 94.2° |
| H7 | CAU | CAZ | H16 | 95.6° | 28.2° |
| H10 | CAX | H11 | H12 | 120.0° | 119.9° |
| H13 | CAY | CAZ | H15 | 120.6° | 122.4° |
| H13 | CAY | CAZ | H16 | 0.3° | 0.0° |
| H14 | CAY | CAZ | H15 | 0.2° | 0.1° |
| H14 | CAY | CAZ | H16 | 121.2° | 122.4° |
