ZVT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | CAX | sing | 1.74Å | 1.80Å | |
| CAX | CAH | sing | 1.38Å | 1.42Å | Aromatic |
| CAX | CAY | doub | 1.40Å | 1.41Å | Aromatic |
| CAH | CAF | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.38Å | 1.40Å | Aromatic |
| CAG | CAI | doub | 1.38Å | 1.41Å | Aromatic |
| CAI | CAY | sing | 1.40Å | 1.41Å | Aromatic |
| CAY | CAU | sing | 1.48Å | 1.51Å | |
| CAU | OAC | doub | 1.22Å | 1.22Å | |
| CAU | NAR | sing | 1.35Å | 1.34Å | |
| NAR | CBB | sing | 1.47Å | 1.45Å | |
| CBB | CAA | sing | 1.53Å | 1.52Å | |
| CBB | CBA | sing | 1.51Å | 1.49Å | |
| CBA | NBC | sing | 1.37Å | 1.34Å | Aromatic |
| CBA | NAQ | doub | 1.30Å | 1.35Å | Aromatic |
| NBC | CAB | sing | 1.46Å | 1.49Å | |
| NBC | CAZ | sing | 1.37Å | 1.34Å | Aromatic |
| NAQ | NAP | sing | 1.29Å | 1.40Å | Aromatic |
| NAP | CAZ | doub | 1.31Å | 1.34Å | Aromatic |
| CAZ | SAT | sing | 1.76Å | 1.77Å | |
| SAT | CAO | sing | 1.81Å | 1.78Å | |
| CAO | CAN | sing | 1.53Å | 1.53Å | |
| CAN | OAS | sing | 1.43Å | 1.43Å | |
| OAS | CAW | sing | 1.36Å | 1.38Å | |
| CAW | CAL | sing | 1.39Å | 1.41Å | Aromatic |
| CAW | CAM | doub | 1.39Å | 1.40Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | CAK | sing | 1.38Å | 1.40Å | Aromatic |
| CAK | CAV | doub | 1.38Å | 1.40Å | Aromatic |
| CAV | FAD | sing | 1.35Å | 1.35Å | |
| CAV | CAJ | sing | 1.38Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAR | HAR | sing | 0.97Å | 1.00Å | |
| CBB | HBB | 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 | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.08Å | 1.08Å | |
| CAM | HAM | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAK | HAK | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | CAX | CAH | 117.9° | 120.1° |
| CL | CAX | CAY | 121.3° | 120.1° |
| CAH | CAX | CAY | 120.8° | 119.8° |
| CAX | CAH | CAF | 120.2° | 120.1° |
| CAX | CAH | HAH | 119.9° | 119.9° |
| CAX | CAY | CAI | 118.7° | 119.7° |
| CAX | CAY | CAU | 123.9° | 120.2° |
| CAH | CAF | CAG | 119.2° | 120.3° |
| CAF | CAH | HAH | 119.9° | 120.0° |
| CAH | CAF | HAF | 120.4° | 119.8° |
| CAF | CAG | CAI | 121.1° | 120.2° |
| CAG | CAF | HAF | 120.4° | 119.9° |
| CAF | CAG | HAG | 119.5° | 119.8° |
| CAG | CAI | CAY | 120.1° | 119.9° |
| CAI | CAG | HAG | 119.5° | 119.9° |
| CAG | CAI | HAI | 119.9° | 120.0° |
| CAI | CAY | CAU | 117.4° | 120.2° |
| CAY | CAI | HAI | 119.9° | 120.1° |
| CAY | CAU | OAC | 120.4° | 120.0° |
| CAY | CAU | NAR | 118.7° | 120.0° |
| OAC | CAU | NAR | 120.9° | 120.0° |
| CAU | NAR | CBB | 120.3° | 120.0° |
| CAU | NAR | HAR | 119.9° | 120.1° |
| NAR | CBB | CAA | 111.1° | 109.5° |
| NAR | CBB | CBA | 114.4° | 109.5° |
| CBB | NAR | HAR | 119.8° | 120.0° |
| NAR | CBB | HBB | 108.2° | 109.5° |
| CAA | CBB | CBA | 107.9° | 109.5° |
| CAA | CBB | HBB | 107.2° | 109.5° |
| CBB | CAA | HAA1 | 109.5° | 109.5° |
| CBB | CAA | HAA2 | 109.5° | 109.5° |
| CBB | CAA | HAA3 | 109.5° | 109.5° |
| CBB | CBA | NBC | 125.1° | 126.4° |
| CBB | CBA | NAQ | 126.1° | 126.4° |
| CBA | CBB | HBB | 107.7° | 109.5° |
| NBC | CBA | NAQ | 108.7° | 107.3° |
| CBA | NBC | CAB | 125.6° | 127.1° |
| CBA | NBC | CAZ | 105.8° | 105.7° |
| CBA | NAQ | NAP | 109.5° | 110.1° |
| CAB | NBC | CAZ | 128.6° | 127.1° |
| NBC | CAB | HAB1 | 109.5° | 109.5° |
| NBC | CAB | HAB2 | 109.5° | 109.5° |
| NBC | CAB | HAB3 | 109.5° | 109.5° |
| NBC | CAZ | NAP | 114.0° | 107.0° |
| NBC | CAZ | SAT | 124.3° | 126.5° |
| NAQ | NAP | CAZ | 102.1° | 109.8° |
| NAP | CAZ | SAT | 121.7° | 126.5° |
| CAZ | SAT | CAO | 95.5° | 100.0° |
| SAT | CAO | CAN | 112.0° | 109.5° |
| SAT | CAO | HAO1 | 108.8° | 109.5° |
| SAT | CAO | HAO2 | 108.8° | 109.5° |
| CAO | CAN | OAS | 108.2° | 109.5° |
| CAN | CAO | HAO1 | 108.9° | 109.4° |
| CAN | CAO | HAO2 | 108.8° | 109.5° |
| CAO | CAN | HAN1 | 109.8° | 109.5° |
| CAO | CAN | HAN2 | 109.8° | 109.5° |
| CAN | OAS | CAW | 124.1° | 117.0° |
| OAS | CAN | HAN1 | 109.8° | 109.4° |
| OAS | CAN | HAN2 | 109.8° | 109.5° |
| OAS | CAW | CAL | 122.8° | 120.0° |
| OAS | CAW | CAM | 118.0° | 120.1° |
| CAL | CAW | CAM | 119.2° | 119.9° |
| CAW | CAL | CAJ | 121.0° | 119.9° |
| CAW | CAL | HAL | 119.5° | 120.0° |
| CAW | CAM | CAK | 120.3° | 120.0° |
| CAW | CAM | HAM | 119.9° | 120.0° |
| CAL | CAJ | CAV | 118.8° | 120.1° |
| CAJ | CAL | HAL | 119.5° | 120.1° |
| CAL | CAJ | HAJ | 120.6° | 120.0° |
| CAM | CAK | CAV | 119.7° | 120.0° |
| CAK | CAM | HAM | 119.9° | 120.0° |
| CAM | CAK | HAK | 120.2° | 120.0° |
| CAK | CAV | FAD | 118.6° | 120.0° |
| CAK | CAV | CAJ | 121.0° | 120.1° |
| CAV | CAK | HAK | 120.1° | 120.0° |
| FAD | CAV | CAJ | 120.4° | 120.0° |
| CAV | CAJ | HAJ | 120.6° | 120.0° |
| 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° | 109.4° |
| HAB1 | CAB | HAB3 | 109.4° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| HAO1 | CAO | HAO2 | 109.5° | 109.5° |
| HAN1 | CAN | HAN2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | CAX | CAH | CAY | 179.8° | 179.7° |
| CL | CAX | CAH | CAF | 179.1° | 180.0° |
| CL | CAX | CAY | CAI | 180.0° | 179.7° |
| CL | CAX | CAY | CAU | 1.5° | 0.0° |
| CL | CAX | CAH | HAH | 0.8° | 0.0° |
| CAX | CAH | CAF | HAH | 180.0° | 180.0° |
| CAX | CAH | CAF | CAG | 0.8° | 0.0° |
| CAH | CAX | CAY | CAI | 0.2° | 0.6° |
| CAH | CAX | CAY | CAU | 178.7° | 179.7° |
| CAX | CAH | CAF | HAF | 179.1° | 180.0° |
| CAY | CAX | CAH | CAF | 0.6° | 0.3° |
| CAX | CAY | CAI | CAG | 0.9° | 0.6° |
| CAX | CAY | CAI | CAU | 178.6° | 179.7° |
| CAX | CAY | CAU | OAC | 65.6° | 0.0° |
| CAX | CAY | CAU | NAR | 115.4° | 180.0° |
| CAY | CAX | CAH | HAH | 179.4° | 179.7° |
| CAX | CAY | CAI | HAI | 179.1° | 179.7° |
| CAH | CAF | CAG | HAF | 180.0° | 180.0° |
| CAH | CAF | CAG | CAI | 0.2° | 0.0° |
| CAH | CAF | CAG | HAG | 179.8° | 179.9° |
| CAF | CAG | CAI | HAG | 180.0° | 179.9° |
| CAF | CAG | CAI | CAY | 0.7° | 0.3° |
| CAG | CAF | CAH | HAH | 179.2° | 180.0° |
| CAF | CAG | CAI | HAI | 179.3° | 180.0° |
| CAG | CAI | CAY | HAI | 180.0° | 179.7° |
| CAG | CAI | CAY | CAU | 179.5° | 179.7° |
| CAI | CAG | CAF | HAF | 179.8° | 180.0° |
| CAI | CAY | CAU | OAC | 115.9° | 179.7° |
| CAI | CAY | CAU | NAR | 63.1° | 0.3° |
| CAY | CAI | CAG | HAG | 179.4° | 179.8° |
| CAY | CAU | OAC | NAR | 178.9° | 180.0° |
| CAY | CAU | NAR | CBB | 177.7° | 180.0° |
| CAU | CAY | CAI | HAI | 0.6° | 0.0° |
| CAY | CAU | NAR | HAR | 2.3° | 0.0° |
| OAC | CAU | NAR | CBB | 1.3° | 0.0° |
| OAC | CAU | NAR | HAR | 178.7° | 180.0° |
| CAU | NAR | CBB | HAR | 180.0° | 179.9° |
| CAU | NAR | CBB | CAA | 168.3° | 85.0° |
| CAU | NAR | CBB | CBA | 69.2° | 155.0° |
| CAU | NAR | CBB | HBB | 50.8° | 35.0° |
| NAR | CBB | CAA | CBA | 126.2° | 120.0° |
| NAR | CBB | CAA | HBB | 118.0° | 120.0° |
| NAR | CBB | CBA | HBB | 120.3° | 120.0° |
| NAR | CBB | CBA | NBC | 127.0° | 135.0° |
| NAR | CBB | CBA | NAQ | 56.3° | 45.3° |
| NAR | CBB | CAA | HAA1 | 180.0° | 180.0° |
| NAR | CBB | CAA | HAA2 | 60.0° | 60.0° |
| NAR | CBB | CAA | HAA3 | 60.0° | 60.0° |
| CAA | CBB | CBA | HBB | 115.5° | 120.0° |
| CAA | CBB | CBA | NBC | 108.8° | 105.0° |
| CAA | CBB | CBA | NAQ | 67.9° | 74.7° |
| CAA | CBB | NAR | HAR | 11.7° | 95.0° |
| CBB | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CBB | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CBB | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CBB | CBA | NBC | NAQ | 177.2° | 179.7° |
| CBB | CBA | NBC | CAB | 1.5° | 0.0° |
| CBB | CBA | NBC | CAZ | 178.4° | 180.0° |
| CBB | CBA | NAQ | NAP | 178.8° | 180.0° |
| CBA | CBB | NAR | HAR | 110.7° | 24.9° |
| CBA | CBB | CAA | HAA1 | 53.8° | 60.0° |
| CBA | CBB | CAA | HAA2 | 173.8° | 180.0° |
| CBA | CBB | CAA | HAA3 | 66.2° | 60.0° |
| CBA | NBC | CAB | CAZ | 179.8° | 180.0° |
| NBC | CBA | NAQ | NAP | 1.6° | 0.3° |
| CBA | NBC | CAZ | NAP | 0.3° | 0.2° |
| CBA | NBC | CAZ | SAT | 178.5° | 180.0° |
| NBC | CBA | CBB | HBB | 6.7° | 15.0° |
| CBA | NBC | CAB | HAB1 | 180.0° | 90.0° |
| CBA | NBC | CAB | HAB2 | 60.0° | 150.0° |
| CBA | NBC | CAB | HAB3 | 60.0° | 30.0° |
| NAQ | CBA | NBC | CAB | 178.7° | 179.7° |
| NAQ | CBA | NBC | CAZ | 1.1° | 0.3° |
| CBA | NAQ | NAP | CAZ | 1.3° | 0.2° |
| NAQ | CBA | CBB | HBB | 176.6° | 165.4° |
| CAB | NBC | CAZ | NAP | 179.6° | 179.8° |
| CAB | NBC | CAZ | SAT | 1.7° | 0.0° |
| NBC | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NBC | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NBC | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| NBC | CAZ | NAP | NAQ | 0.7° | 0.0° |
| NBC | CAZ | NAP | SAT | 178.8° | 179.8° |
| NBC | CAZ | SAT | CAO | 56.3° | 180.0° |
| CAZ | NBC | CAB | HAB1 | 0.1° | 90.0° |
| CAZ | NBC | CAB | HAB2 | 120.1° | 30.0° |
| CAZ | NBC | CAB | HAB3 | 119.8° | 150.0° |
| NAQ | NAP | CAZ | SAT | 179.4° | 179.8° |
| NAP | CAZ | SAT | CAO | 122.4° | 0.2° |
| CAZ | SAT | CAO | CAN | 69.2° | 180.0° |
| CAZ | SAT | CAO | HAO1 | 51.2° | 60.0° |
| CAZ | SAT | CAO | HAO2 | 170.4° | 60.0° |
| SAT | CAO | CAN | HAO1 | 120.4° | 120.0° |
| SAT | CAO | CAN | HAO2 | 120.4° | 120.1° |
| SAT | CAO | CAN | OAS | 36.9° | 180.0° |
| SAT | CAO | HAO1 | HAO2 | 118.8° | 120.1° |
| SAT | CAO | CAN | HAN1 | 82.9° | 60.1° |
| SAT | CAO | CAN | HAN2 | 156.6° | 60.0° |
| CAO | CAN | OAS | HAN1 | 119.8° | 120.0° |
| CAO | CAN | OAS | HAN2 | 119.8° | 120.1° |
| CAO | CAN | OAS | CAW | 149.4° | 180.0° |
| CAN | CAO | HAO1 | HAO2 | 118.8° | 120.0° |
| CAO | CAN | HAN1 | HAN2 | 120.6° | 120.1° |
| CAN | OAS | CAW | CAL | 14.0° | 180.0° |
| CAN | OAS | CAW | CAM | 166.1° | 0.3° |
| OAS | CAN | CAO | HAO1 | 157.2° | 60.1° |
| OAS | CAN | CAO | HAO2 | 83.5° | 59.9° |
| OAS | CAN | HAN1 | HAN2 | 120.6° | 120.0° |
| OAS | CAW | CAL | CAM | 180.0° | 179.7° |
| OAS | CAW | CAL | CAJ | 179.9° | 179.9° |
| OAS | CAW | CAM | CAK | 179.1° | 179.9° |
| CAW | OAS | CAN | HAN1 | 29.5° | 60.0° |
| CAW | OAS | CAN | HAN2 | 90.9° | 59.9° |
| OAS | CAW | CAL | HAL | 0.1° | 0.0° |
| OAS | CAW | CAM | HAM | 0.9° | 0.0° |
| CAW | CAL | CAJ | HAL | 180.0° | 180.0° |
| CAL | CAW | CAM | CAK | 0.9° | 0.2° |
| CAW | CAL | CAJ | CAV | 0.1° | 0.0° |
| CAL | CAW | CAM | HAM | 179.1° | 179.7° |
| CAW | CAL | CAJ | HAJ | 179.9° | 180.0° |
| CAM | CAW | CAL | CAJ | 0.1° | 0.2° |
| CAW | CAM | CAK | HAM | 180.0° | 180.0° |
| CAW | CAM | CAK | CAV | 1.9° | 0.1° |
| CAM | CAW | CAL | HAL | 179.9° | 179.8° |
| CAW | CAM | CAK | HAK | 178.1° | 180.0° |
| CAL | CAJ | CAV | CAK | 1.0° | 0.3° |
| CAL | CAJ | CAV | FAD | 179.7° | 180.0° |
| CAL | CAJ | CAV | HAJ | 180.0° | 180.0° |
| CAM | CAK | CAV | HAK | 180.0° | 179.9° |
| CAM | CAK | CAV | FAD | 179.2° | 180.0° |
| CAM | CAK | CAV | CAJ | 2.0° | 0.3° |
| CAK | CAV | FAD | CAJ | 178.8° | 179.7° |
| CAV | CAK | CAM | HAM | 178.1° | 180.0° |
| CAK | CAV | CAJ | HAJ | 179.0° | 179.7° |
| FAD | CAV | CAJ | HAJ | 0.3° | 0.0° |
| FAD | CAV | CAK | HAK | 0.8° | 0.0° |
| CAV | CAJ | CAL | HAL | 179.9° | 180.0° |
| CAJ | CAV | CAK | HAK | 178.0° | 179.7° |
| HAH | CAH | CAF | HAF | 0.9° | 0.0° |
| HAF | CAF | CAG | HAG | 0.3° | 0.1° |
| HAG | CAG | CAI | HAI | 0.6° | 0.1° |
| HAR | NAR | CBB | HBB | 129.2° | 144.9° |
| HBB | CBB | CAA | HAA1 | 62.0° | 60.0° |
| HBB | CBB | CAA | HAA2 | 58.0° | 60.0° |
| HBB | CBB | CAA | HAA3 | 178.0° | NaN° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
| HAO1 | CAO | CAN | HAN1 | 37.4° | 180.0° |
| HAO1 | CAO | CAN | HAN2 | 83.0° | 60.0° |
| HAO2 | CAO | CAN | HAN1 | 156.7° | 60.0° |
| HAO2 | CAO | CAN | HAN2 | 36.2° | 180.0° |
| HAL | CAL | CAJ | HAJ | 0.1° | 0.0° |
| HAM | CAM | CAK | HAK | 1.9° | 0.0° |
