FZS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAL | CAX | sing | 1.52Å | 1.50Å | |
| CAL | SAT | sing | 1.82Å | 1.76Å | |
| CAK | CAX | doub | 1.33Å | 1.32Å | |
| CAX | CBA | sing | 1.47Å | 1.50Å | |
| SAT | CB | sing | 1.82Å | 1.77Å | |
| CB | NBI | sing | 1.45Å | 1.46Å | |
| CB | CA | sing | 1.53Å | 1.56Å | |
| OAE | CAW | doub | 1.22Å | 1.22Å | |
| NBI | CBA | doub | 1.27Å | 1.27Å | |
| CBA | CAV | sing | 1.49Å | 1.55Å | |
| OAD | CAV | doub | 1.21Å | 1.25Å | |
| CAW | N | sing | 1.35Å | 1.34Å | |
| CAW | CAZ | sing | 1.48Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | C | sing | 1.53Å | 1.57Å | |
| CAV | OAI | sing | 1.35Å | 1.25Å | |
| C | O1 | sing | 1.43Å | 1.25Å | |
| OAR | CAA | sing | 1.43Å | 1.43Å | |
| OAR | NAM | sing | 1.42Å | 1.25Å | |
| CAZ | NAM | doub | 1.30Å | 1.26Å | |
| CAZ | CBC | sing | 1.48Å | 1.51Å | |
| CAJ | CBC | doub | 1.35Å | 1.41Å | Aromatic |
| CAJ | SAU | sing | 1.76Å | 1.74Å | Aromatic |
| CBC | NAN | sing | 1.33Å | 1.38Å | Aromatic |
| SAU | CBB | sing | 1.76Å | 1.72Å | Aromatic |
| NAN | CBB | doub | 1.30Å | 1.35Å | Aromatic |
| CBB | NAC | sing | 1.38Å | 1.35Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| CA | H3 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAK | H11 | sing | 1.08Å | 1.08Å | |
| CAK | H12 | sing | 1.08Å | 1.08Å | |
| CAL | H13 | sing | 1.09Å | 1.10Å | |
| CAL | H14 | sing | 1.09Å | 1.10Å | |
| NAC | H16 | sing | 0.97Å | 1.00Å | |
| NAC | H17 | sing | 0.97Å | 1.00Å | |
| OAI | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAX | CAL | SAT | 108.1° | 106.7° |
| CAL | CAX | CAK | 120.0° | 120.3° |
| CAL | CAX | CBA | 120.1° | 119.3° |
| CAX | CAL | H13 | 109.8° | 110.0° |
| CAX | CAL | H14 | 109.8° | 110.0° |
| CAL | SAT | CB | 106.5° | 101.4° |
| SAT | CAL | H13 | 109.8° | 110.0° |
| SAT | CAL | H14 | 109.8° | 110.0° |
| CAK | CAX | CBA | 119.9° | 120.4° |
| CAX | CAK | H11 | 120.0° | 120.0° |
| CAX | CAK | H12 | 120.0° | 120.0° |
| CAX | CBA | NBI | 121.3° | 126.2° |
| CAX | CBA | CAV | 121.4° | 116.8° |
| SAT | CB | NBI | 109.9° | 110.3° |
| SAT | CB | CA | 113.6° | 109.3° |
| SAT | CB | H6 | 108.6° | 109.2° |
| NBI | CB | CA | 100.7° | 109.3° |
| CB | NBI | CBA | 127.0° | 127.8° |
| NBI | CB | H6 | 112.7° | 109.4° |
| CB | CA | N | 116.3° | 109.5° |
| CB | CA | C | 106.7° | 109.5° |
| CB | CA | H3 | 106.4° | 109.5° |
| CA | CB | H6 | 111.2° | 109.3° |
| OAE | CAW | N | 120.7° | 120.1° |
| OAE | CAW | CAZ | 117.5° | 120.0° |
| NBI | CBA | CAV | 117.2° | 116.9° |
| CBA | CAV | OAD | 118.2° | 120.0° |
| CBA | CAV | OAI | 119.8° | 120.0° |
| OAD | CAV | OAI | 121.9° | 120.0° |
| N | CAW | CAZ | 121.7° | 120.0° |
| CAW | N | CA | 127.2° | 120.0° |
| CAW | N | H2 | 116.4° | 120.1° |
| CAW | CAZ | NAM | 119.6° | 120.0° |
| CAW | CAZ | CBC | 123.7° | 120.0° |
| N | CA | C | 113.0° | 109.5° |
| CA | N | H2 | 116.4° | 120.0° |
| N | CA | H3 | 107.5° | 109.5° |
| CA | C | O1 | 112.7° | 109.5° |
| C | CA | H3 | 106.3° | 109.5° |
| CA | C | H4 | 108.6° | 109.5° |
| CA | C | H5 | 108.7° | 109.5° |
| CAV | OAI | H20 | 109.5° | 117.0° |
| C | O1 | H1 | 109.5° | 114.0° |
| O1 | C | H4 | 108.6° | 109.4° |
| O1 | C | H5 | 108.7° | 109.5° |
| CAA | OAR | NAM | 118.0° | 114.0° |
| OAR | CAA | H7 | 109.5° | 109.5° |
| OAR | CAA | H8 | 109.5° | 109.4° |
| OAR | CAA | H9 | 109.5° | 109.5° |
| OAR | NAM | CAZ | 123.0° | 120.0° |
| NAM | CAZ | CBC | 116.7° | 120.0° |
| CAZ | CBC | CAJ | 124.0° | 122.4° |
| CAZ | CBC | NAN | 121.3° | 122.4° |
| CBC | CAJ | SAU | 108.2° | 108.3° |
| CAJ | CBC | NAN | 114.7° | 115.2° |
| CBC | CAJ | H10 | 125.9° | 125.9° |
| CAJ | SAU | CBB | 92.1° | 90.1° |
| SAU | CAJ | H10 | 125.9° | 125.9° |
| CBC | NAN | CBB | 112.5° | 116.9° |
| SAU | CBB | NAN | 112.5° | 109.5° |
| SAU | CBB | NAC | 123.6° | 125.3° |
| NAN | CBB | NAC | 123.8° | 125.2° |
| CBB | NAC | H16 | 109.5° | 120.0° |
| CBB | NAC | H17 | 109.5° | 120.0° |
| H4 | C | H5 | 109.5° | 109.4° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H9 | 109.4° | 109.5° |
| H8 | CAA | H9 | 109.5° | 109.5° |
| H11 | CAK | H12 | 120.0° | 120.0° |
| H13 | CAL | H14 | 109.5° | 110.1° |
| H16 | NAC | H17 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAX | CAL | SAT | H13 | 119.8° | 119.3° |
| CAX | CAL | SAT | H14 | 119.8° | 119.3° |
| CAL | CAX | CAK | CBA | 180.0° | 179.9° |
| CAX | CAL | SAT | CB | 50.4° | 55.5° |
| CAL | CAX | CBA | NBI | 18.0° | 12.4° |
| CAL | CAX | CBA | CAV | 164.8° | 167.5° |
| CAL | CAX | CAK | H11 | 180.0° | 6.3° |
| CAL | CAX | CAK | H12 | 0.0° | 173.7° |
| CAX | CAL | H13 | H14 | 120.6° | 121.4° |
| SAT | CAL | CAX | CAK | 152.6° | 137.9° |
| SAT | CAL | CAX | CBA | 27.4° | 42.0° |
| CAL | SAT | CB | NBI | 36.4° | 47.2° |
| CAL | SAT | CB | CA | 148.4° | 167.5° |
| CAL | SAT | CB | H6 | 87.3° | 73.0° |
| SAT | CAL | H13 | H14 | 120.7° | 121.4° |
| CAK | CAX | CBA | NBI | 162.0° | 167.5° |
| CAK | CAX | CBA | CAV | 15.2° | 12.6° |
| CAX | CAK | H11 | H12 | 180.0° | 180.0° |
| CAK | CAX | CAL | H13 | 32.8° | 18.6° |
| CAK | CAX | CAL | H14 | 87.6° | 102.8° |
| CAX | CBA | NBI | CB | 39.0° | 1.1° |
| CAX | CBA | NBI | CAV | 177.3° | 179.9° |
| CAX | CBA | CAV | OAD | 124.2° | 5.3° |
| CAX | CBA | CAV | OAI | 55.1° | 174.6° |
| CBA | CAX | CAK | H11 | 0.0° | 173.7° |
| CBA | CAX | CAK | H12 | 180.0° | 6.2° |
| CBA | CAX | CAL | H13 | 147.2° | 161.3° |
| CBA | CAX | CAL | H14 | 92.4° | 77.3° |
| SAT | CB | NBI | CA | 120.1° | 120.3° |
| SAT | CB | NBI | H6 | 121.3° | 120.1° |
| SAT | CB | CA | H6 | 122.9° | 119.5° |
| SAT | CB | NBI | CBA | 6.8° | 23.2° |
| SAT | CB | CA | N | 70.4° | 55.9° |
| SAT | CB | CA | C | 162.5° | 64.1° |
| SAT | CB | CA | H3 | 49.3° | 175.9° |
| CB | SAT | CAL | H13 | 170.2° | 174.8° |
| CB | SAT | CAL | H14 | 69.4° | 63.8° |
| NBI | CB | CA | H6 | 119.7° | 119.7° |
| CB | NBI | CBA | CAV | 143.7° | 178.9° |
| NBI | CB | CA | N | 172.1° | 65.0° |
| NBI | CB | CA | C | 45.0° | 175.0° |
| NBI | CB | CA | H3 | 68.1° | 55.0° |
| CA | CB | NBI | CBA | 113.3° | 143.4° |
| CB | CA | N | CAW | 48.4° | 155.0° |
| CB | CA | N | C | 123.9° | 120.0° |
| CB | CA | N | H3 | 119.1° | 120.0° |
| CB | CA | C | H3 | 113.3° | 120.0° |
| CB | CA | C | O1 | 133.2° | 55.0° |
| CB | CA | N | H2 | 131.6° | 25.0° |
| CB | CA | C | H4 | 106.4° | 175.0° |
| CB | CA | C | H5 | 12.7° | 65.0° |
| OAE | CAW | N | CAZ | 178.7° | 179.9° |
| OAE | CAW | N | CA | 76.8° | 7.2° |
| OAE | CAW | CAZ | NAM | 88.2° | 9.0° |
| OAE | CAW | CAZ | CBC | 90.0° | 171.0° |
| OAE | CAW | N | H2 | 103.1° | 172.8° |
| NBI | CBA | CAV | OAD | 53.1° | 174.6° |
| NBI | CBA | CAV | OAI | 127.6° | 5.4° |
| CBA | NBI | CB | H6 | 128.1° | 97.0° |
| CBA | CAV | OAD | OAI | 179.3° | 180.0° |
| CBA | CAV | OAI | H20 | 179.3° | 180.0° |
| OAD | CAV | OAI | H20 | 0.0° | 0.1° |
| CAW | N | CA | H2 | 180.0° | 179.9° |
| CAW | N | CA | C | 172.3° | 85.0° |
| N | CAW | CAZ | NAM | 90.6° | 171.0° |
| N | CAW | CAZ | CBC | 91.2° | 9.1° |
| CAW | N | CA | H3 | 70.7° | 35.0° |
| CAZ | CAW | N | CA | 104.5° | 172.8° |
| CAW | CAZ | NAM | OAR | 0.9° | 5.6° |
| CAW | CAZ | NAM | CBC | 178.4° | 179.9° |
| CAW | CAZ | CBC | CAJ | 8.6° | 174.9° |
| CAW | CAZ | CBC | NAN | 173.0° | 5.2° |
| CAZ | CAW | N | H2 | 75.6° | 7.1° |
| N | CA | C | H3 | 117.7° | 120.0° |
| N | CA | C | O1 | 97.8° | 65.0° |
| N | CA | C | H4 | 22.6° | 55.0° |
| N | CA | C | H5 | 141.7° | 175.0° |
| N | CA | CB | H6 | 52.5° | 175.3° |
| CA | C | O1 | H4 | 120.5° | 120.0° |
| CA | C | O1 | H5 | 120.5° | 120.0° |
| CA | C | O1 | H1 | 180.0° | 180.0° |
| C | CA | N | H2 | 7.7° | 95.1° |
| CA | C | H4 | H5 | 118.5° | 120.0° |
| C | CA | CB | H6 | 74.6° | 55.3° |
| O1 | C | CA | H3 | 19.9° | 175.0° |
| O1 | C | H4 | H5 | 118.5° | 119.9° |
| CAA | OAR | NAM | CAZ | 154.8° | 180.0° |
| OAR | CAA | H7 | H8 | 120.0° | 120.0° |
| OAR | CAA | H7 | H9 | 120.0° | 120.0° |
| OAR | CAA | H8 | H9 | 120.0° | 120.0° |
| OAR | NAM | CAZ | CBC | 179.3° | 174.3° |
| NAM | OAR | CAA | H7 | 180.0° | 60.0° |
| NAM | OAR | CAA | H8 | 60.0° | 60.0° |
| NAM | OAR | CAA | H9 | 60.0° | 180.0° |
| NAM | CAZ | CBC | CAJ | 169.7° | 5.1° |
| NAM | CAZ | CBC | NAN | 8.7° | 174.9° |
| CAZ | CBC | CAJ | NAN | 178.5° | 179.9° |
| CAZ | CBC | CAJ | SAU | 179.2° | 180.0° |
| CAZ | CBC | NAN | CBB | 179.3° | 180.0° |
| CAZ | CBC | CAJ | H10 | 0.8° | 0.3° |
| CBC | CAJ | SAU | H10 | 180.0° | 179.7° |
| CBC | CAJ | SAU | CBB | 0.2° | 0.0° |
| CAJ | CBC | NAN | CBB | 0.8° | 0.0° |
| SAU | CAJ | CBC | NAN | 0.6° | 0.0° |
| CAJ | SAU | CBB | NAN | 0.2° | 0.0° |
| CAJ | SAU | CBB | NAC | 180.0° | 179.9° |
| CBC | NAN | CBB | SAU | 0.6° | 0.0° |
| CBC | NAN | CBB | NAC | 179.6° | 179.9° |
| NAN | CBC | CAJ | H10 | 179.4° | 179.7° |
| SAU | CBB | NAN | NAC | 179.8° | 180.0° |
| CBB | SAU | CAJ | H10 | 179.8° | 179.7° |
| SAU | CBB | NAC | H16 | 0.0° | 180.0° |
| SAU | CBB | NAC | H17 | 120.0° | 0.1° |
| NAN | CBB | NAC | H16 | 179.8° | 0.0° |
| NAN | CBB | NAC | H17 | 59.8° | 179.9° |
| CBB | NAC | H16 | H17 | 120.0° | 179.9° |
| H1 | O1 | C | H4 | 59.5° | 60.0° |
| H1 | O1 | C | H5 | 59.5° | 60.0° |
| H2 | N | CA | H3 | 109.3° | 145.0° |
| H3 | CA | C | H4 | 140.3° | 65.0° |
| H3 | CA | C | H5 | 100.6° | 55.0° |
| H3 | CA | CB | H6 | 172.2° | 64.7° |
| H7 | CAA | H8 | H9 | 120.0° | 120.1° |
