ZVS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAE | CBF | sing | 1.40Å | 1.33Å | |
| CBF | FAF | sing | 1.40Å | 1.34Å | |
| CBF | FAG | sing | 1.40Å | 1.32Å | |
| CBF | CBA | sing | 1.51Å | 1.52Å | |
| CBA | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CBA | CAZ | doub | 1.40Å | 1.41Å | Aromatic |
| CAK | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAI | CAH | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAZ | sing | 1.40Å | 1.40Å | Aromatic |
| CAZ | CAW | sing | 1.48Å | 1.51Å | |
| CAW | OAC | doub | 1.22Å | 1.23Å | |
| CAW | NAT | sing | 1.35Å | 1.35Å | |
| NAT | CBD | sing | 1.46Å | 1.46Å | |
| CBD | CAA | sing | 1.53Å | 1.52Å | |
| CBD | CBC | sing | 1.51Å | 1.49Å | |
| CBC | NBE | sing | 1.37Å | 1.35Å | Aromatic |
| CBC | NAS | doub | 1.30Å | 1.37Å | Aromatic |
| NBE | CAB | sing | 1.47Å | 1.48Å | |
| NBE | CBB | sing | 1.37Å | 1.33Å | Aromatic |
| NAS | NAR | sing | 1.29Å | 1.41Å | Aromatic |
| NAR | CBB | doub | 1.31Å | 1.35Å | Aromatic |
| CBB | SAV | sing | 1.76Å | 1.76Å | |
| SAV | CAQ | sing | 1.81Å | 1.75Å | |
| CAQ | CAP | sing | 1.53Å | 1.51Å | |
| CAP | OAU | sing | 1.43Å | 1.42Å | |
| OAU | CAY | sing | 1.36Å | 1.36Å | |
| CAY | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAY | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAL | doub | 1.38Å | 1.40Å | Aromatic |
| CAO | CAM | sing | 1.38Å | 1.39Å | Aromatic |
| CAM | CAX | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | FAD | sing | 1.35Å | 1.34Å | |
| CAX | CAL | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | HAK | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| NAT | HAT | sing | 0.97Å | 1.00Å | |
| CBD | HBD | sing | 1.09Å | 1.10Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ1 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ2 | sing | 1.09Å | 1.10Å | |
| CAP | HAP1 | sing | 1.09Å | 1.10Å | |
| CAP | HAP2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN | sing | 1.08Å | 1.08Å | |
| CAO | HAO | sing | 1.08Å | 1.08Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAE | CBF | FAF | 110.4° | 109.5° |
| FAE | CBF | FAG | 106.3° | 109.5° |
| FAE | CBF | CBA | 108.2° | 109.5° |
| FAF | CBF | FAG | 108.7° | 109.5° |
| FAF | CBF | CBA | 112.0° | 109.4° |
| FAG | CBF | CBA | 111.0° | 109.4° |
| CBF | CBA | CAK | 116.5° | 120.1° |
| CBF | CBA | CAZ | 124.7° | 120.1° |
| CAK | CBA | CAZ | 118.8° | 119.8° |
| CBA | CAK | CAI | 120.7° | 120.2° |
| CBA | CAK | HAK | 119.6° | 119.9° |
| CBA | CAZ | CAJ | 120.1° | 119.7° |
| CBA | CAZ | CAW | 124.0° | 120.1° |
| CAK | CAI | CAH | 120.0° | 120.3° |
| CAI | CAK | HAK | 119.6° | 119.9° |
| CAK | CAI | HAI | 120.0° | 119.9° |
| CAI | CAH | CAJ | 120.2° | 120.2° |
| CAH | CAI | HAI | 120.0° | 119.8° |
| CAI | CAH | HAH | 119.9° | 119.9° |
| CAH | CAJ | CAZ | 120.3° | 119.8° |
| CAJ | CAH | HAH | 119.9° | 119.9° |
| CAH | CAJ | HAJ | 119.9° | 120.1° |
| CAJ | CAZ | CAW | 115.9° | 120.2° |
| CAZ | CAJ | HAJ | 119.9° | 120.1° |
| CAZ | CAW | OAC | 118.1° | 120.0° |
| CAZ | CAW | NAT | 118.3° | 120.0° |
| OAC | CAW | NAT | 123.6° | 120.0° |
| CAW | NAT | CBD | 122.3° | 120.0° |
| CAW | NAT | HAT | 118.9° | 120.0° |
| NAT | CBD | CAA | 110.7° | 109.5° |
| NAT | CBD | CBC | 108.4° | 109.5° |
| CBD | NAT | HAT | 118.8° | 120.0° |
| NAT | CBD | HBD | 108.9° | 109.5° |
| CAA | CBD | CBC | 111.8° | 109.5° |
| CAA | CBD | HBD | 108.2° | 109.4° |
| CBD | CAA | HAA1 | 109.5° | 109.4° |
| CBD | CAA | HAA2 | 109.5° | 109.5° |
| CBD | CAA | HAA3 | 109.4° | 109.4° |
| CBD | CBC | NBE | 125.8° | 126.3° |
| CBD | CBC | NAS | 124.9° | 126.3° |
| CBC | CBD | HBD | 108.7° | 109.5° |
| NBE | CBC | NAS | 109.2° | 107.3° |
| CBC | NBE | CAB | 128.0° | 127.2° |
| CBC | NBE | CBB | 105.8° | 105.7° |
| CBC | NAS | NAR | 108.0° | 110.0° |
| CAB | NBE | CBB | 126.2° | 127.1° |
| NBE | CAB | HAB1 | 109.5° | 109.5° |
| NBE | CAB | HAB2 | 109.5° | 109.5° |
| NBE | CAB | HAB3 | 109.4° | 109.4° |
| NBE | CBB | NAR | 113.6° | 107.0° |
| NBE | CBB | SAV | 123.3° | 126.5° |
| NAS | NAR | CBB | 103.4° | 109.9° |
| NAR | CBB | SAV | 123.1° | 126.5° |
| CBB | SAV | CAQ | 100.6° | 100.0° |
| SAV | CAQ | CAP | 103.4° | 109.5° |
| SAV | CAQ | HAQ1 | 111.0° | 109.5° |
| SAV | CAQ | HAQ2 | 111.0° | 109.5° |
| CAQ | CAP | OAU | 106.8° | 109.5° |
| CAP | CAQ | HAQ1 | 110.9° | 109.5° |
| CAP | CAQ | HAQ2 | 111.0° | 109.4° |
| CAQ | CAP | HAP1 | 110.2° | 109.5° |
| CAQ | CAP | HAP2 | 110.1° | 109.5° |
| CAP | OAU | CAY | 122.8° | 117.0° |
| OAU | CAP | HAP1 | 110.1° | 109.5° |
| OAU | CAP | HAP2 | 110.1° | 109.5° |
| OAU | CAY | CAN | 122.1° | 120.0° |
| OAU | CAY | CAO | 116.5° | 120.1° |
| CAN | CAY | CAO | 121.4° | 119.9° |
| CAY | CAN | CAL | 119.7° | 120.0° |
| CAY | CAN | HAN | 120.2° | 120.0° |
| CAY | CAO | CAM | 119.0° | 120.0° |
| CAY | CAO | HAO | 120.5° | 120.0° |
| CAN | CAL | CAX | 118.6° | 120.1° |
| CAL | CAN | HAN | 120.2° | 120.0° |
| CAN | CAL | HAL | 120.7° | 120.0° |
| CAO | CAM | CAX | 120.0° | 120.0° |
| CAM | CAO | HAO | 120.5° | 120.0° |
| CAO | CAM | HAM | 120.0° | 120.0° |
| CAM | CAX | FAD | 117.9° | 120.0° |
| CAM | CAX | CAL | 121.3° | 120.0° |
| CAX | CAM | HAM | 120.0° | 120.0° |
| FAD | CAX | CAL | 120.7° | 120.0° |
| CAX | CAL | HAL | 120.7° | 119.9° |
| HAA1 | CAA | HAA2 | 109.5° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| HAQ1 | CAQ | HAQ2 | 109.5° | 109.5° |
| HAP1 | CAP | HAP2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAE | CBF | FAF | FAG | 116.3° | 120.0° |
| FAE | CBF | FAF | CBA | 120.6° | 120.0° |
| FAE | CBF | FAG | CBA | 117.5° | 120.0° |
| FAE | CBF | CBA | CAK | 20.6° | 0.0° |
| FAE | CBF | CBA | CAZ | 159.1° | 179.8° |
| FAF | CBF | FAG | CBA | 123.6° | 119.9° |
| FAF | CBF | CBA | CAK | 101.4° | 120.1° |
| FAF | CBF | CBA | CAZ | 78.9° | 59.7° |
| FAG | CBF | CBA | CAK | 136.9° | 120.0° |
| FAG | CBF | CBA | CAZ | 42.8° | 60.2° |
| CBF | CBA | CAK | CAZ | 179.7° | 179.8° |
| CBF | CBA | CAK | CAI | 180.0° | 180.0° |
| CBF | CBA | CAZ | CAJ | 180.0° | 179.7° |
| CBF | CBA | CAZ | CAW | 0.4° | 0.1° |
| CBF | CBA | CAK | HAK | 0.0° | 0.0° |
| CBA | CAK | CAI | HAK | 180.0° | 180.0° |
| CBA | CAK | CAI | CAH | 0.3° | 0.0° |
| CAK | CBA | CAZ | CAJ | 0.3° | 0.5° |
| CAK | CBA | CAZ | CAW | 179.9° | 179.7° |
| CBA | CAK | CAI | HAI | 179.7° | 179.9° |
| CAZ | CBA | CAK | CAI | 0.3° | 0.3° |
| CBA | CAZ | CAJ | CAH | 0.3° | 0.5° |
| CBA | CAZ | CAJ | CAW | 179.6° | 179.8° |
| CBA | CAZ | CAW | OAC | 71.0° | 0.1° |
| CBA | CAZ | CAW | NAT | 110.6° | 180.0° |
| CAZ | CBA | CAK | HAK | 179.7° | 179.8° |
| CBA | CAZ | CAJ | HAJ | 179.7° | 179.7° |
| CAK | CAI | CAH | HAI | 180.0° | 179.9° |
| CAK | CAI | CAH | CAJ | 0.3° | 0.0° |
| CAK | CAI | CAH | HAH | 179.7° | 180.0° |
| CAI | CAH | CAJ | HAH | 180.0° | 180.0° |
| CAI | CAH | CAJ | CAZ | 0.3° | 0.3° |
| CAH | CAI | CAK | HAK | 179.7° | 180.0° |
| CAI | CAH | CAJ | HAJ | 179.7° | 179.9° |
| CAH | CAJ | CAZ | HAJ | 180.0° | 179.8° |
| CAH | CAJ | CAZ | CAW | 179.9° | 179.7° |
| CAJ | CAH | CAI | HAI | 179.7° | 180.0° |
| CAJ | CAZ | CAW | OAC | 108.6° | 179.7° |
| CAJ | CAZ | CAW | NAT | 69.8° | 0.2° |
| CAZ | CAJ | CAH | HAH | 179.7° | 179.7° |
| CAZ | CAW | OAC | NAT | 178.3° | 179.9° |
| CAZ | CAW | NAT | CBD | 179.7° | 180.0° |
| CAW | CAZ | CAJ | HAJ | 0.1° | 0.1° |
| CAZ | CAW | NAT | HAT | 0.3° | 0.0° |
| OAC | CAW | NAT | CBD | 1.4° | 0.1° |
| OAC | CAW | NAT | HAT | 178.7° | 180.0° |
| CAW | NAT | CBD | HAT | 180.0° | 180.0° |
| CAW | NAT | CBD | CAA | 160.6° | 85.0° |
| CAW | NAT | CBD | CBC | 76.4° | 155.0° |
| CAW | NAT | CBD | HBD | 41.7° | 34.9° |
| NAT | CBD | CAA | CBC | 121.0° | 120.0° |
| NAT | CBD | CAA | HBD | 119.3° | 119.9° |
| NAT | CBD | CBC | HBD | 118.3° | 120.0° |
| NAT | CBD | CBC | NBE | 121.1° | 135.0° |
| NAT | CBD | CBC | NAS | 57.0° | 45.3° |
| NAT | CBD | CAA | HAA1 | 180.0° | 180.0° |
| NAT | CBD | CAA | HAA2 | 60.0° | 60.0° |
| NAT | CBD | CAA | HAA3 | 60.0° | 60.0° |
| CAA | CBD | CBC | HBD | 119.4° | 119.9° |
| CAA | CBD | CBC | NBE | 116.6° | 105.0° |
| CAA | CBD | CBC | NAS | 65.3° | 74.7° |
| CAA | CBD | NAT | HAT | 19.4° | 95.0° |
| CBD | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CBD | CAA | HAA1 | HAA3 | 120.0° | 119.9° |
| CBD | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| CBD | CBC | NBE | NAS | 178.4° | 179.8° |
| CBD | CBC | NBE | CAB | 1.9° | 0.0° |
| CBD | CBC | NBE | CBB | 178.5° | 180.0° |
| CBD | CBC | NAS | NAR | 178.8° | 180.0° |
| CBC | CBD | NAT | HAT | 103.6° | 25.0° |
| CBC | CBD | CAA | HAA1 | 59.0° | 60.0° |
| CBC | CBD | CAA | HAA2 | 179.0° | 180.0° |
| CBC | CBD | CAA | HAA3 | 61.0° | 60.0° |
| CBC | NBE | CAB | CBB | 179.5° | 180.0° |
| NBE | CBC | NAS | NAR | 0.4° | 0.2° |
| CBC | NBE | CBB | NAR | 0.2° | 0.2° |
| CBC | NBE | CBB | SAV | 179.4° | 180.0° |
| NBE | CBC | CBD | HBD | 2.8° | 15.0° |
| CBC | NBE | CAB | HAB1 | 180.0° | 89.9° |
| CBC | NBE | CAB | HAB2 | 60.0° | 150.0° |
| CBC | NBE | CAB | HAB3 | 60.0° | 30.0° |
| NAS | CBC | NBE | CAB | 179.7° | 179.7° |
| NAS | CBC | NBE | CBB | 0.2° | 0.2° |
| CBC | NAS | NAR | CBB | 0.5° | 0.1° |
| NAS | CBC | CBD | HBD | 175.3° | 165.3° |
| CAB | NBE | CBB | NAR | 179.4° | 179.8° |
| CAB | NBE | CBB | SAV | 0.2° | 0.0° |
| NBE | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NBE | CAB | HAB1 | HAB3 | 120.0° | 119.9° |
| NBE | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NBE | CBB | NAR | NAS | 0.4° | 0.1° |
| NBE | CBB | NAR | SAV | 179.2° | 179.8° |
| NBE | CBB | SAV | CAQ | 80.2° | 180.0° |
| CBB | NBE | CAB | HAB1 | 0.5° | 90.0° |
| CBB | NBE | CAB | HAB2 | 120.5° | 30.0° |
| CBB | NBE | CAB | HAB3 | 119.5° | 150.0° |
| NAS | NAR | CBB | SAV | 179.6° | 179.8° |
| NAR | CBB | SAV | CAQ | 100.6° | 0.2° |
| CBB | SAV | CAQ | CAP | 102.3° | 180.0° |
| CBB | SAV | CAQ | HAQ1 | 16.7° | 60.0° |
| CBB | SAV | CAQ | HAQ2 | 138.6° | 60.1° |
| SAV | CAQ | CAP | HAQ1 | 119.0° | 120.0° |
| SAV | CAQ | CAP | HAQ2 | 119.1° | 120.0° |
| SAV | CAQ | CAP | OAU | 117.3° | 180.0° |
| SAV | CAQ | HAQ1 | HAQ2 | 122.8° | 120.0° |
| SAV | CAQ | CAP | HAP1 | 123.1° | 60.0° |
| SAV | CAQ | CAP | HAP2 | 2.2° | 60.0° |
| CAQ | CAP | OAU | HAP1 | 119.6° | 120.0° |
| CAQ | CAP | OAU | HAP2 | 119.6° | 120.0° |
| CAQ | CAP | OAU | CAY | 147.8° | 180.0° |
| CAP | CAQ | HAQ1 | HAQ2 | 122.8° | 120.0° |
| CAQ | CAP | HAP1 | HAP2 | 121.3° | 120.0° |
| CAP | OAU | CAY | CAN | 5.5° | 180.0° |
| CAP | OAU | CAY | CAO | 174.5° | 0.2° |
| OAU | CAP | CAQ | HAQ1 | 1.7° | 60.0° |
| OAU | CAP | CAQ | HAQ2 | 123.6° | 60.0° |
| OAU | CAP | HAP1 | HAP2 | 121.2° | 120.0° |
| OAU | CAY | CAN | CAO | 179.9° | 179.8° |
| OAU | CAY | CAN | CAL | 179.8° | 180.0° |
| OAU | CAY | CAO | CAM | 179.9° | 180.0° |
| CAY | OAU | CAP | HAP1 | 92.6° | 60.0° |
| CAY | OAU | CAP | HAP2 | 28.3° | 60.0° |
| OAU | CAY | CAN | HAN | 0.1° | 0.0° |
| OAU | CAY | CAO | HAO | 0.1° | 0.0° |
| CAY | CAN | CAL | HAN | 180.0° | 180.0° |
| CAN | CAY | CAO | CAM | 0.0° | 0.2° |
| CAY | CAN | CAL | CAX | 0.2° | 0.0° |
| CAN | CAY | CAO | HAO | 180.0° | 179.7° |
| CAY | CAN | CAL | HAL | 179.8° | 180.0° |
| CAO | CAY | CAN | CAL | 0.1° | 0.2° |
| CAY | CAO | CAM | HAO | 180.0° | 179.9° |
| CAY | CAO | CAM | CAX | 0.1° | 0.1° |
| CAO | CAY | CAN | HAN | 179.9° | 179.8° |
| CAY | CAO | CAM | HAM | 179.9° | 180.0° |
| CAN | CAL | CAX | CAM | 0.1° | 0.3° |
| CAN | CAL | CAX | FAD | 179.9° | 180.0° |
| CAN | CAL | CAX | HAL | 180.0° | 179.9° |
| CAO | CAM | CAX | HAM | 180.0° | 180.0° |
| CAO | CAM | CAX | FAD | 180.0° | 180.0° |
| CAO | CAM | CAX | CAL | 0.0° | 0.3° |
| CAM | CAX | FAD | CAL | 180.0° | 179.7° |
| CAX | CAM | CAO | HAO | 179.9° | 180.0° |
| CAM | CAX | CAL | HAL | 179.9° | 179.8° |
| FAD | CAX | CAL | HAL | 0.1° | 0.1° |
| FAD | CAX | CAM | HAM | 0.0° | 0.0° |
| CAX | CAL | CAN | HAN | 179.9° | 180.0° |
| CAL | CAX | CAM | HAM | 180.0° | 179.7° |
| HAK | CAK | CAI | HAI | 0.3° | 0.1° |
| HAI | CAI | CAH | HAH | 0.3° | 0.1° |
| HAH | CAH | CAJ | HAJ | 0.3° | 0.0° |
| HAT | NAT | CBD | HBD | 138.3° | 145.1° |
| HBD | CBD | CAA | HAA1 | 60.7° | 60.1° |
| HBD | CBD | CAA | HAA2 | 59.3° | 60.0° |
| HBD | CBD | CAA | HAA3 | 179.3° | 179.9° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.1° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAQ1 | CAQ | CAP | HAP1 | 117.8° | 180.0° |
| HAQ1 | CAQ | CAP | HAP2 | 121.3° | 60.0° |
| HAQ2 | CAQ | CAP | HAP1 | 4.1° | 60.0° |
| HAQ2 | CAQ | CAP | HAP2 | 116.8° | 180.0° |
| HAN | CAN | CAL | HAL | 0.1° | 0.1° |
| HAO | CAO | CAM | HAM | 0.1° | 0.0° |
