ZYS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAS | sing | 1.53Å | 1.52Å | |
| CAS | CAB | sing | 1.53Å | 1.52Å | |
| CAS | CAC | sing | 1.53Å | 1.52Å | |
| CAS | NAL | sing | 1.47Å | 1.47Å | |
| NAL | CAQ | sing | 1.38Å | 1.33Å | |
| CAQ | SAM | sing | 1.71Å | 1.67Å | Aromatic |
| CAQ | NAK | doub | 1.30Å | 1.34Å | Aromatic |
| SAM | CAR | sing | 1.76Å | 1.66Å | Aromatic |
| NAK | CAO | sing | 1.31Å | 1.35Å | Aromatic |
| CAO | NAD | sing | 1.39Å | 1.33Å | |
| CAO | CAR | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAN | sing | 1.41Å | 1.52Å | |
| CAN | OAE | doub | 1.22Å | 1.23Å | |
| CAN | CAP | sing | 1.48Å | 1.53Å | |
| CAP | CAI | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | CAJ | doub | 1.39Å | 1.39Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAH | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
| 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 | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| NAD | HAD1 | sing | 0.97Å | 1.00Å | |
| NAD | HAD2 | sing | 0.97Å | 1.00Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | HAJ | sing | 1.08Å | 1.08Å | |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAL | HAL | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAS | CAB | 110.3° | 109.4° |
| CAA | CAS | CAC | 110.6° | 109.5° |
| CAA | CAS | NAL | 108.9° | 109.5° |
| CAS | CAA | HAA1 | 109.5° | 109.5° |
| CAS | CAA | HAA2 | 109.5° | 109.4° |
| CAS | CAA | HAA3 | 109.5° | 109.4° |
| CAB | CAS | CAC | 110.2° | 109.5° |
| CAB | CAS | NAL | 108.5° | 109.5° |
| CAS | CAB | HAB1 | 109.5° | 109.5° |
| CAS | CAB | HAB2 | 109.4° | 109.5° |
| CAS | CAB | HAB3 | 109.5° | 109.5° |
| CAC | CAS | NAL | 108.2° | 109.5° |
| CAS | CAC | HAC1 | 109.5° | 109.4° |
| CAS | CAC | HAC2 | 109.5° | 109.5° |
| CAS | CAC | HAC3 | 109.4° | 109.4° |
| CAS | NAL | CAQ | 120.1° | 120.0° |
| CAS | NAL | HAL | 106.0° | 120.0° |
| NAL | CAQ | SAM | 124.3° | 124.6° |
| NAL | CAQ | NAK | 125.6° | 124.6° |
| CAQ | NAL | HAL | 106.1° | 120.0° |
| SAM | CAQ | NAK | 110.1° | 110.8° |
| CAQ | SAM | CAR | 94.7° | 90.6° |
| CAQ | NAK | CAO | 113.3° | 117.4° |
| SAM | CAR | CAO | 107.5° | 107.7° |
| SAM | CAR | CAN | 125.9° | 126.2° |
| NAK | CAO | NAD | 122.9° | 123.2° |
| NAK | CAO | CAR | 114.4° | 113.6° |
| NAD | CAO | CAR | 122.7° | 123.2° |
| CAO | NAD | HAD1 | 109.5° | 120.0° |
| CAO | NAD | HAD2 | 109.5° | 120.0° |
| CAO | CAR | CAN | 126.6° | 126.1° |
| CAR | CAN | OAE | 120.2° | 120.0° |
| CAR | CAN | CAP | 119.1° | 120.0° |
| OAE | CAN | CAP | 120.7° | 120.0° |
| CAN | CAP | CAI | 120.1° | 120.1° |
| CAN | CAP | CAJ | 120.2° | 120.2° |
| CAI | CAP | CAJ | 119.7° | 119.7° |
| CAP | CAI | CAG | 120.1° | 119.9° |
| CAP | CAI | HAI | 120.0° | 120.1° |
| CAP | CAJ | CAH | 120.2° | 119.9° |
| CAP | CAJ | HAJ | 119.9° | 120.1° |
| CAI | CAG | CAF | 120.1° | 120.1° |
| CAG | CAI | HAI | 120.0° | 120.1° |
| CAI | CAG | HAG | 120.0° | 119.9° |
| CAG | CAF | CAH | 119.9° | 120.3° |
| CAF | CAG | HAG | 119.9° | 120.0° |
| CAG | CAF | HAF | 120.1° | 119.8° |
| CAF | CAH | CAJ | 120.1° | 120.1° |
| CAH | CAF | HAF | 120.1° | 119.9° |
| CAF | CAH | HAH | 120.0° | 119.9° |
| CAH | CAJ | HAJ | 119.9° | 120.1° |
| CAJ | CAH | HAH | 120.0° | 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 | 109.4° | 109.5° |
| HAB2 | CAB | HAB3 | 109.5° | 109.4° |
| HAC1 | CAC | HAC2 | 109.4° | 109.5° |
| HAC1 | CAC | HAC3 | 109.5° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.5° |
| HAD1 | NAD | HAD2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAS | CAB | CAC | 122.4° | 120.0° |
| CAA | CAS | CAB | NAL | 119.2° | 120.0° |
| CAA | CAS | CAC | NAL | 119.2° | 120.0° |
| CAA | CAS | NAL | CAQ | 77.9° | 59.9° |
| CAS | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAS | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAS | CAA | HAA2 | HAA3 | 120.0° | 119.9° |
| CAA | CAS | CAB | HAB1 | 54.7° | 60.0° |
| CAA | CAS | CAB | HAB2 | 174.7° | 179.9° |
| CAA | CAS | CAB | HAB3 | 65.2° | 60.0° |
| CAA | CAS | CAC | HAC1 | 3.6° | 60.0° |
| CAA | CAS | CAC | HAC2 | 123.5° | 180.0° |
| CAA | CAS | CAC | HAC3 | 116.5° | 60.0° |
| CAA | CAS | NAL | HAL | 162.1° | 120.0° |
| CAB | CAS | CAC | NAL | 118.5° | 120.0° |
| CAB | CAS | NAL | CAQ | 162.0° | 60.0° |
| CAB | CAS | CAA | HAA1 | 69.0° | 60.0° |
| CAB | CAS | CAA | HAA2 | 51.0° | 180.0° |
| CAB | CAS | CAA | HAA3 | 171.0° | 60.0° |
| CAS | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| CAS | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| CAS | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAB | CAS | CAC | HAC1 | 118.7° | 180.0° |
| CAB | CAS | CAC | HAC2 | 1.3° | 60.0° |
| CAB | CAS | CAC | HAC3 | 121.3° | 60.0° |
| CAB | CAS | NAL | HAL | 42.0° | 120.1° |
| CAC | CAS | NAL | CAQ | 42.4° | 180.0° |
| CAC | CAS | CAA | HAA1 | 168.9° | 180.0° |
| CAC | CAS | CAA | HAA2 | 71.1° | 60.0° |
| CAC | CAS | CAA | HAA3 | 48.9° | 60.0° |
| CAC | CAS | CAB | HAB1 | 177.1° | 60.0° |
| CAC | CAS | CAB | HAB2 | 62.9° | 60.0° |
| CAC | CAS | CAB | HAB3 | 57.1° | 180.0° |
| CAS | CAC | HAC1 | HAC2 | 120.0° | 120.0° |
| CAS | CAC | HAC1 | HAC3 | 120.0° | 119.9° |
| CAS | CAC | HAC2 | HAC3 | 120.0° | 119.9° |
| CAC | CAS | NAL | HAL | 77.6° | 0.1° |
| CAS | NAL | CAQ | HAL | 120.0° | 179.9° |
| CAS | NAL | CAQ | SAM | 1.2° | 180.0° |
| CAS | NAL | CAQ | NAK | 179.9° | 0.2° |
| NAL | CAS | CAA | HAA1 | 50.0° | 60.0° |
| NAL | CAS | CAA | HAA2 | 170.0° | 60.1° |
| NAL | CAS | CAA | HAA3 | 70.0° | 180.0° |
| NAL | CAS | CAB | HAB1 | 64.5° | 180.0° |
| NAL | CAS | CAB | HAB2 | 55.5° | 60.0° |
| NAL | CAS | CAB | HAB3 | 175.5° | 60.0° |
| NAL | CAS | CAC | HAC1 | 122.8° | 60.0° |
| NAL | CAS | CAC | HAC2 | 117.3° | 60.0° |
| NAL | CAS | CAC | HAC3 | 2.7° | 180.0° |
| NAL | CAQ | SAM | NAK | 179.0° | 179.8° |
| NAL | CAQ | SAM | CAR | 179.5° | 180.0° |
| NAL | CAQ | NAK | CAO | 179.9° | 180.0° |
| SAM | CAQ | NAK | CAO | 1.1° | 0.3° |
| CAQ | SAM | CAR | CAO | 0.2° | 0.2° |
| CAQ | SAM | CAR | CAN | 178.4° | 180.0° |
| SAM | CAQ | NAL | HAL | 121.2° | 0.1° |
| NAK | CAQ | SAM | CAR | 0.5° | 0.2° |
| CAQ | NAK | CAO | NAD | 179.4° | 180.0° |
| CAQ | NAK | CAO | CAR | 1.3° | 0.1° |
| NAK | CAQ | NAL | HAL | 59.9° | 179.6° |
| SAM | CAR | CAO | NAK | 0.9° | 0.0° |
| SAM | CAR | CAO | NAD | 179.8° | 179.8° |
| SAM | CAR | CAO | CAN | 178.1° | 179.9° |
| SAM | CAR | CAN | OAE | 179.9° | 173.4° |
| SAM | CAR | CAN | CAP | 0.1° | 6.7° |
| NAK | CAO | NAD | CAR | 179.2° | 179.8° |
| NAK | CAO | CAR | CAN | 179.0° | 179.9° |
| NAK | CAO | NAD | HAD1 | 129.4° | 0.1° |
| NAK | CAO | NAD | HAD2 | 9.4° | 180.0° |
| NAD | CAO | CAR | CAN | 1.7° | 0.1° |
| CAO | NAD | HAD1 | HAD2 | 120.0° | 179.9° |
| CAO | CAR | CAN | OAE | 2.1° | 6.5° |
| CAO | CAR | CAN | CAP | 177.7° | 173.5° |
| CAR | CAO | NAD | HAD1 | 51.4° | 179.9° |
| CAR | CAO | NAD | HAD2 | 171.4° | 0.2° |
| CAR | CAN | OAE | CAP | 179.8° | 179.9° |
| CAR | CAN | CAP | CAI | 5.7° | 152.9° |
| CAR | CAN | CAP | CAJ | 176.1° | 27.4° |
| OAE | CAN | CAP | CAI | 174.5° | 27.2° |
| OAE | CAN | CAP | CAJ | 3.7° | 152.6° |
| CAN | CAP | CAI | CAJ | 178.2° | 179.8° |
| CAN | CAP | CAI | CAG | 179.5° | 180.0° |
| CAN | CAP | CAJ | CAH | 180.0° | 179.7° |
| CAN | CAP | CAI | HAI | 0.5° | 0.0° |
| CAN | CAP | CAJ | HAJ | 0.0° | 0.0° |
| CAP | CAI | CAG | HAI | 180.0° | 180.0° |
| CAP | CAI | CAG | CAF | 0.4° | 0.0° |
| CAI | CAP | CAJ | CAH | 1.8° | 0.5° |
| CAI | CAP | CAJ | HAJ | 178.2° | 179.7° |
| CAP | CAI | CAG | HAG | 179.6° | 180.0° |
| CAJ | CAP | CAI | CAG | 1.3° | 0.3° |
| CAP | CAJ | CAH | CAF | 1.4° | 0.5° |
| CAP | CAJ | CAH | HAJ | 180.0° | 179.7° |
| CAJ | CAP | CAI | HAI | 178.7° | 179.7° |
| CAP | CAJ | CAH | HAH | 178.6° | 179.6° |
| CAI | CAG | CAF | HAG | 180.0° | 180.0° |
| CAI | CAG | CAF | CAH | 0.0° | 0.0° |
| CAI | CAG | CAF | HAF | 180.0° | 180.0° |
| CAG | CAF | CAH | HAF | 180.0° | 180.0° |
| CAG | CAF | CAH | CAJ | 0.5° | 0.3° |
| CAF | CAG | CAI | HAI | 179.6° | 180.0° |
| CAG | CAF | CAH | HAH | 179.5° | 179.9° |
| CAF | CAH | CAJ | HAH | 180.0° | 179.8° |
| CAF | CAH | CAJ | HAJ | 178.6° | 179.7° |
| CAH | CAF | CAG | HAG | 180.0° | 180.0° |
| CAJ | CAH | CAF | HAF | 179.5° | 179.8° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 120.1° |
| HAI | CAI | CAG | HAG | 0.4° | 0.0° |
| HAJ | CAJ | CAH | HAH | 1.4° | 0.1° |
| HAG | CAG | CAF | HAF | 0.0° | 0.1° |
| HAF | CAF | CAH | HAH | 0.5° | 0.1° |
