5A0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAZ | sing | 1.53Å | 1.53Å | |
| SAP | CAZ | sing | 1.82Å | 1.74Å | |
| SAP | CAR | sing | 1.77Å | 1.62Å | |
| CAL | CAS | sing | 1.51Å | 1.51Å | |
| CAL | CAW | sing | 1.53Å | 1.58Å | |
| CAZ | CAB | sing | 1.53Å | 1.53Å | |
| CAZ | CAK | sing | 1.54Å | 1.47Å | |
| SAQ | CAS | sing | 1.75Å | 1.52Å | Aromatic |
| SAQ | C4 | sing | 1.76Å | 1.67Å | Aromatic |
| CAS | CAF | doub | 1.32Å | 1.35Å | Aromatic |
| CAH | CAJ | sing | 1.53Å | 1.55Å | |
| CAH | NAX | sing | 1.47Å | 1.44Å | |
| C4 | N3 | doub | 1.34Å | 1.31Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.35Å | Aromatic |
| CAF | C5 | sing | 1.45Å | 1.35Å | Aromatic |
| FAD | CAW | sing | 1.40Å | 1.38Å | |
| N3 | C2 | sing | 1.31Å | 1.37Å | Aromatic |
| C5 | C6 | doub | 1.42Å | 1.38Å | Aromatic |
| CAW | FAC | sing | 1.40Å | 1.38Å | |
| CAR | NAX | sing | 1.38Å | 1.32Å | |
| CAR | NAM | doub | 1.28Å | 1.34Å | |
| CAJ | NAY | sing | 1.47Å | 1.45Å | |
| CAK | NAM | sing | 1.45Å | 1.46Å | |
| C2 | N1 | doub | 1.32Å | 1.38Å | Aromatic |
| NAX | CAG | sing | 1.47Å | 1.47Å | |
| C6 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | NAY | sing | 1.38Å | 1.37Å | |
| NAY | CAI | sing | 1.47Å | 1.48Å | |
| CAI | CAG | sing | 1.53Å | 1.52Å | |
| CAW | H1 | sing | 1.09Å | 1.10Å | |
| CAL | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| CAJ | H6 | sing | 1.09Å | 1.10Å | |
| CAJ | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| CAI | H10 | sing | 1.09Å | 1.10Å | |
| CAI | H11 | sing | 1.09Å | 1.10Å | |
| CAG | H12 | sing | 1.09Å | 1.10Å | |
| CAG | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| CAA | H17 | sing | 1.09Å | 1.10Å | |
| CAA | H18 | sing | 1.09Å | 1.10Å | |
| CAB | H19 | sing | 1.09Å | 1.10Å | |
| CAB | H20 | sing | 1.09Å | 1.10Å | |
| CAB | H21 | sing | 1.09Å | 1.10Å | |
| CAK | H22 | sing | 1.09Å | 1.10Å | |
| CAK | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAZ | SAP | 110.0° | 110.7° |
| CAA | CAZ | CAB | 109.7° | 110.6° |
| CAA | CAZ | CAK | 110.5° | 110.8° |
| CAZ | CAA | H16 | 109.5° | 109.5° |
| CAZ | CAA | H17 | 109.5° | 109.5° |
| CAZ | CAA | H18 | 109.5° | 109.5° |
| CAZ | SAP | CAR | 96.3° | 95.7° |
| SAP | CAZ | CAB | 110.0° | 110.7° |
| SAP | CAZ | CAK | 106.1° | 103.3° |
| SAP | CAR | NAX | 123.2° | 125.0° |
| SAP | CAR | NAM | 112.6° | 110.0° |
| CAS | CAL | CAW | 109.3° | 109.4° |
| CAL | CAS | SAQ | 123.0° | 124.3° |
| CAL | CAS | CAF | 123.3° | 124.3° |
| CAS | CAL | H2 | 109.5° | 109.5° |
| CAS | CAL | H3 | 109.5° | 109.4° |
| CAL | CAW | FAD | 109.7° | 109.5° |
| CAL | CAW | FAC | 109.7° | 109.5° |
| CAL | CAW | H1 | 107.5° | 109.4° |
| CAW | CAL | H2 | 109.5° | 109.5° |
| CAW | CAL | H3 | 109.5° | 109.5° |
| CAB | CAZ | CAK | 110.5° | 110.6° |
| CAZ | CAB | H19 | 109.5° | 109.5° |
| CAZ | CAB | H20 | 109.5° | 109.5° |
| CAZ | CAB | H21 | 109.5° | 109.5° |
| CAZ | CAK | NAM | 108.8° | 111.2° |
| CAZ | CAK | H22 | 109.6° | 109.1° |
| CAZ | CAK | H23 | 109.6° | 109.2° |
| CAS | SAQ | C4 | 92.4° | 92.2° |
| SAQ | CAS | CAF | 113.7° | 111.4° |
| SAQ | C4 | N3 | 126.3° | 131.3° |
| SAQ | C4 | C5 | 112.7° | 109.6° |
| CAS | CAF | C5 | 114.4° | 114.8° |
| CAS | CAF | H4 | 122.8° | 122.6° |
| CAJ | CAH | NAX | 109.8° | 108.6° |
| CAH | CAJ | NAY | 111.5° | 109.3° |
| CAH | CAJ | H6 | 109.0° | 109.5° |
| CAH | CAJ | H7 | 109.0° | 109.5° |
| CAJ | CAH | H8 | 109.4° | 109.7° |
| CAJ | CAH | H9 | 109.4° | 109.6° |
| CAH | NAX | CAR | 121.4° | 120.9° |
| CAH | NAX | CAG | 116.4° | 118.2° |
| NAX | CAH | H8 | 109.4° | 109.6° |
| NAX | CAH | H9 | 109.4° | 109.6° |
| N3 | C4 | C5 | 121.1° | 119.1° |
| C4 | N3 | C2 | 122.2° | 121.1° |
| C4 | C5 | CAF | 106.8° | 112.0° |
| C4 | C5 | C6 | 119.1° | 117.6° |
| CAF | C5 | C6 | 134.1° | 130.4° |
| C5 | CAF | H4 | 122.8° | 122.6° |
| FAD | CAW | FAC | 109.7° | 109.5° |
| FAD | CAW | H1 | 110.1° | 109.5° |
| N3 | C2 | N1 | 116.2° | 122.2° |
| N3 | C2 | H5 | 121.9° | 118.9° |
| C5 | C6 | N1 | 118.9° | 118.9° |
| C5 | C6 | NAY | 127.8° | 120.6° |
| FAC | CAW | H1 | 110.1° | 109.5° |
| NAX | CAR | NAM | 124.2° | 125.0° |
| CAR | NAX | CAG | 122.1° | 120.9° |
| CAR | NAM | CAK | 114.2° | 119.9° |
| CAJ | NAY | C6 | 121.1° | 111.0° |
| CAJ | NAY | CAI | 113.8° | 111.3° |
| NAY | CAJ | H6 | 109.0° | 109.5° |
| NAY | CAJ | H7 | 109.0° | 109.5° |
| NAM | CAK | H22 | 109.6° | 109.3° |
| NAM | CAK | H23 | 109.6° | 109.0° |
| C2 | N1 | C6 | 122.4° | 121.2° |
| N1 | C2 | H5 | 121.9° | 118.9° |
| NAX | CAG | CAI | 110.0° | 108.5° |
| NAX | CAG | H12 | 109.3° | 109.6° |
| NAX | CAG | H13 | 109.4° | 109.7° |
| N1 | C6 | NAY | 113.2° | 120.5° |
| C6 | NAY | CAI | 124.0° | 111.0° |
| NAY | CAI | CAG | 111.6° | 109.3° |
| NAY | CAI | H10 | 108.9° | 109.5° |
| NAY | CAI | H11 | 108.9° | 109.5° |
| CAG | CAI | H10 | 108.9° | 109.5° |
| CAG | CAI | H11 | 108.9° | 109.5° |
| CAI | CAG | H12 | 109.3° | 109.6° |
| CAI | CAG | H13 | 109.3° | 109.6° |
| H2 | CAL | H3 | 109.5° | 109.5° |
| H6 | CAJ | H7 | 109.5° | 109.5° |
| H8 | CAH | H9 | 109.5° | 109.7° |
| H10 | CAI | H11 | 109.5° | 109.5° |
| H12 | CAG | H13 | 109.5° | 109.7° |
| H16 | CAA | H17 | 109.4° | 109.5° |
| H16 | CAA | H18 | 109.5° | 109.4° |
| H17 | CAA | H18 | 109.5° | 109.4° |
| H19 | CAB | H20 | 109.4° | 109.5° |
| H19 | CAB | H21 | 109.5° | 109.5° |
| H20 | CAB | H21 | 109.5° | 109.5° |
| H22 | CAK | H23 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAZ | SAP | CAB | 121.0° | 123.0° |
| CAA | CAZ | SAP | CAK | 119.5° | 118.6° |
| CAA | CAZ | SAP | CAR | 132.2° | 118.6° |
| CAA | CAZ | CAB | CAK | 122.0° | 123.1° |
| CAA | CAZ | CAK | NAM | 133.6° | 118.7° |
| CAZ | CAA | H16 | H17 | 120.0° | 120.1° |
| CAZ | CAA | H16 | H18 | 120.0° | 120.0° |
| CAZ | CAA | H17 | H18 | 120.0° | 120.0° |
| CAA | CAZ | CAB | H19 | 180.0° | 178.4° |
| CAA | CAZ | CAB | H20 | 60.0° | 58.4° |
| CAA | CAZ | CAB | H21 | 60.0° | 61.6° |
| CAA | CAZ | CAK | H22 | 13.7° | 1.9° |
| CAA | CAZ | CAK | H23 | 106.5° | 121.0° |
| SAP | CAZ | CAB | CAK | 116.8° | 113.8° |
| CAZ | SAP | CAR | NAX | 173.6° | 179.9° |
| CAZ | SAP | CAR | NAM | 7.2° | 0.2° |
| SAP | CAZ | CAK | NAM | 14.3° | 0.2° |
| SAP | CAZ | CAA | H16 | 180.0° | 61.4° |
| SAP | CAZ | CAA | H17 | 60.0° | 178.5° |
| SAP | CAZ | CAA | H18 | 60.0° | 58.5° |
| SAP | CAZ | CAB | H19 | 58.8° | 58.5° |
| SAP | CAZ | CAB | H20 | 178.8° | 178.5° |
| SAP | CAZ | CAB | H21 | 61.2° | 61.4° |
| SAP | CAZ | CAK | H22 | 105.5° | 120.4° |
| SAP | CAZ | CAK | H23 | 134.2° | 120.5° |
| CAR | SAP | CAZ | CAB | 106.8° | 118.4° |
| CAR | SAP | CAZ | CAK | 12.6° | 0.0° |
| SAP | CAR | NAX | CAH | 0.8° | 179.7° |
| SAP | CAR | NAX | NAM | 179.1° | 179.8° |
| SAP | CAR | NAM | CAK | 0.9° | 0.4° |
| SAP | CAR | NAX | CAG | 176.7° | 0.2° |
| CAS | CAL | CAW | H2 | 120.0° | 120.0° |
| CAS | CAL | CAW | H3 | 120.0° | 119.9° |
| CAL | CAS | SAQ | CAF | 179.2° | 179.9° |
| CAL | CAS | SAQ | C4 | 179.2° | 179.9° |
| CAL | CAS | CAF | C5 | 179.7° | 180.0° |
| CAS | CAL | CAW | FAD | 174.7° | 175.0° |
| CAS | CAL | CAW | FAC | 64.8° | 65.0° |
| CAS | CAL | CAW | H1 | 54.9° | 55.0° |
| CAS | CAL | H2 | H3 | 120.1° | 120.0° |
| CAL | CAS | CAF | H4 | 0.3° | 0.1° |
| CAW | CAL | CAS | SAQ | 76.9° | 89.8° |
| CAW | CAL | CAS | CAF | 102.2° | 90.1° |
| CAL | CAW | FAD | FAC | 120.5° | 120.1° |
| CAL | CAW | FAD | H1 | 118.1° | 119.9° |
| CAL | CAW | FAC | H1 | 118.1° | 120.0° |
| CAW | CAL | H2 | H3 | 120.1° | 120.0° |
| CAB | CAZ | CAK | NAM | 104.8° | 118.2° |
| CAB | CAZ | CAA | H16 | 58.9° | 61.6° |
| CAB | CAZ | CAA | H17 | 178.8° | 58.4° |
| CAB | CAZ | CAA | H18 | 61.2° | 178.4° |
| CAZ | CAB | H19 | H20 | 120.0° | 120.0° |
| CAZ | CAB | H19 | H21 | 120.0° | 120.0° |
| CAZ | CAB | H20 | H21 | 120.0° | 120.0° |
| CAB | CAZ | CAK | H22 | 135.3° | 121.1° |
| CAB | CAZ | CAK | H23 | 15.0° | 2.0° |
| CAZ | CAK | NAM | CAR | 10.5° | 0.4° |
| CAZ | CAK | NAM | H22 | 119.9° | 120.6° |
| CAZ | CAK | NAM | H23 | 119.9° | 120.4° |
| CAK | CAZ | CAA | H16 | 63.2° | 175.4° |
| CAK | CAZ | CAA | H17 | 56.8° | 64.6° |
| CAK | CAZ | CAA | H18 | 176.8° | 55.4° |
| CAK | CAZ | CAB | H19 | 58.0° | 55.3° |
| CAK | CAZ | CAB | H20 | 62.0° | 64.7° |
| CAK | CAZ | CAB | H21 | 178.0° | 175.3° |
| CAZ | CAK | H22 | H23 | 120.3° | 119.2° |
| CAS | SAQ | C4 | N3 | 179.8° | 180.0° |
| CAS | SAQ | C4 | C5 | 1.0° | 0.3° |
| SAQ | CAS | CAF | C5 | 1.2° | 0.1° |
| SAQ | CAS | CAL | H2 | 163.1° | 150.2° |
| SAQ | CAS | CAL | H3 | 43.1° | 30.1° |
| SAQ | CAS | CAF | H4 | 178.8° | 180.0° |
| C4 | SAQ | CAS | CAF | 0.1° | 0.2° |
| SAQ | C4 | N3 | C5 | 179.1° | 179.6° |
| SAQ | C4 | C5 | CAF | 1.7° | 0.3° |
| SAQ | C4 | N3 | C2 | 179.1° | 179.7° |
| SAQ | C4 | C5 | C6 | 179.7° | 179.8° |
| CAS | CAF | C5 | C4 | 1.8° | 0.1° |
| CAS | CAF | C5 | H4 | 180.0° | 179.9° |
| CAS | CAF | C5 | C6 | 179.9° | 179.9° |
| CAF | CAS | CAL | H2 | 17.8° | 29.9° |
| CAF | CAS | CAL | H3 | 137.9° | 150.0° |
| CAJ | CAH | NAX | H8 | 120.0° | 119.8° |
| CAJ | CAH | NAX | H9 | 120.0° | 119.7° |
| CAJ | CAH | NAX | CAR | 171.2° | 128.8° |
| CAH | CAJ | NAY | H6 | 120.3° | 119.9° |
| CAH | CAJ | NAY | H7 | 120.3° | 120.0° |
| CAJ | CAH | NAX | CAG | 12.8° | 51.2° |
| CAH | CAJ | NAY | C6 | 124.3° | 172.8° |
| CAH | CAJ | NAY | CAI | 44.4° | 63.1° |
| CAH | CAJ | H6 | H7 | 119.1° | 120.1° |
| CAJ | CAH | H8 | H9 | 119.9° | 120.5° |
| CAH | NAX | CAR | CAG | 175.8° | 179.9° |
| CAH | NAX | CAR | NAM | 178.2° | 0.1° |
| NAX | CAH | CAJ | NAY | 58.9° | 53.8° |
| CAH | NAX | CAG | CAI | 42.7° | 51.2° |
| NAX | CAH | CAJ | H6 | 61.3° | 66.1° |
| NAX | CAH | CAJ | H7 | 179.2° | 173.8° |
| NAX | CAH | H8 | H9 | 119.8° | 120.4° |
| CAH | NAX | CAG | H12 | 162.7° | 68.5° |
| CAH | NAX | CAG | H13 | 77.4° | 170.9° |
| N3 | C4 | C5 | CAF | 179.1° | 180.0° |
| N3 | C4 | C5 | C6 | 0.5° | 0.1° |
| C4 | N3 | C2 | N1 | 0.8° | 0.0° |
| C4 | N3 | C2 | H5 | 179.2° | 180.0° |
| C4 | C5 | CAF | C6 | 178.3° | 179.9° |
| C5 | C4 | N3 | C2 | 0.1° | 0.1° |
| C4 | C5 | C6 | N1 | 0.0° | 0.0° |
| C4 | C5 | C6 | NAY | 177.8° | 180.0° |
| C4 | C5 | CAF | H4 | 178.2° | 179.8° |
| CAF | C5 | C6 | N1 | 178.1° | 179.9° |
| CAF | C5 | C6 | NAY | 4.1° | 0.1° |
| FAD | CAW | FAC | H1 | 121.4° | 120.0° |
| FAD | CAW | CAL | H2 | 54.7° | 55.0° |
| FAD | CAW | CAL | H3 | 65.4° | 65.1° |
| N3 | C2 | N1 | H5 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 1.4° | 0.0° |
| C5 | C6 | NAY | CAJ | 25.1° | 55.7° |
| C5 | C6 | N1 | C2 | 1.0° | 0.0° |
| C5 | C6 | N1 | NAY | 178.1° | 180.0° |
| C5 | C6 | NAY | CAI | 167.5° | 180.0° |
| C6 | C5 | CAF | H4 | 0.1° | 0.1° |
| FAC | CAW | CAL | H2 | 175.2° | 175.0° |
| FAC | CAW | CAL | H3 | 55.1° | 55.0° |
| NAX | CAR | NAM | CAK | 178.3° | 179.8° |
| CAR | NAX | CAG | CAI | 133.4° | 128.8° |
| CAR | NAX | CAH | H8 | 68.8° | 9.0° |
| CAR | NAX | CAH | H9 | 51.1° | 111.5° |
| CAR | NAX | CAG | H12 | 13.3° | 111.5° |
| CAR | NAX | CAG | H13 | 106.6° | 9.0° |
| NAM | CAR | NAX | CAG | 2.4° | 180.0° |
| CAR | NAM | CAK | H22 | 109.4° | 120.1° |
| CAR | NAM | CAK | H23 | 130.4° | 120.8° |
| CAJ | NAY | C6 | N1 | 152.8° | 124.3° |
| CAJ | NAY | C6 | CAI | 167.5° | 124.3° |
| CAJ | NAY | CAI | CAG | 12.3° | 63.1° |
| NAY | CAJ | H6 | H7 | 119.1° | 120.1° |
| NAY | CAJ | CAH | H8 | 61.1° | 173.6° |
| NAY | CAJ | CAH | H9 | 178.9° | 65.9° |
| CAJ | NAY | CAI | H10 | 132.7° | 176.9° |
| CAJ | NAY | CAI | H11 | 108.0° | 56.8° |
| NAM | CAK | H22 | H23 | 120.3° | 119.0° |
| C2 | N1 | C6 | NAY | 177.1° | 180.0° |
| NAX | CAG | CAI | NAY | 57.2° | 53.8° |
| NAX | CAG | CAI | H12 | 120.1° | 119.7° |
| NAX | CAG | CAI | H13 | 120.1° | 119.8° |
| CAG | NAX | CAH | H8 | 107.3° | 170.9° |
| CAG | NAX | CAH | H9 | 132.8° | 68.6° |
| NAX | CAG | CAI | H10 | 177.5° | 173.8° |
| NAX | CAG | CAI | H11 | 63.1° | 66.1° |
| NAX | CAG | H12 | H13 | 119.8° | 120.5° |
| N1 | C6 | NAY | CAI | 14.6° | 0.0° |
| C6 | N1 | C2 | H5 | 178.6° | 180.0° |
| C6 | NAY | CAI | CAG | 179.4° | 172.7° |
| C6 | NAY | CAJ | H6 | 115.4° | 67.3° |
| C6 | NAY | CAJ | H7 | 4.0° | 52.8° |
| C6 | NAY | CAI | H10 | 59.1° | 52.8° |
| C6 | NAY | CAI | H11 | 60.3° | 67.3° |
| NAY | CAI | CAG | H10 | 120.3° | 120.0° |
| NAY | CAI | CAG | H11 | 120.3° | 119.9° |
| CAI | NAY | CAJ | H6 | 75.9° | 56.8° |
| CAI | NAY | CAJ | H7 | 164.7° | 176.9° |
| NAY | CAI | H10 | H11 | 119.0° | 120.1° |
| NAY | CAI | CAG | H12 | 177.3° | 65.9° |
| NAY | CAI | CAG | H13 | 62.9° | 173.7° |
| CAG | CAI | H10 | H11 | 119.0° | 120.1° |
| CAI | CAG | H12 | H13 | 119.7° | 120.4° |
| H1 | CAW | CAL | H2 | 65.1° | 65.0° |
| H1 | CAW | CAL | H3 | 174.9° | 175.0° |
| H6 | CAJ | CAH | H8 | 178.6° | 53.6° |
| H6 | CAJ | CAH | H9 | 58.7° | 174.2° |
| H7 | CAJ | CAH | H8 | 59.2° | 66.5° |
| H7 | CAJ | CAH | H9 | 60.8° | 54.1° |
| H10 | CAI | CAG | H12 | 62.4° | 54.2° |
| H10 | CAI | CAG | H13 | 57.4° | 66.3° |
| H11 | CAI | CAG | H12 | 56.9° | 174.2° |
| H11 | CAI | CAG | H13 | 176.8° | 53.7° |
| H16 | CAA | H17 | H18 | 120.0° | 119.9° |
| H19 | CAB | H20 | H21 | 120.0° | 120.0° |
