A1CAZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CT3 | CS3 | sing | 1.51Å | 1.42Å | |
| OS3 | CS3 | doub | 1.21Å | 1.17Å | |
| CS3 | NS3 | sing | 1.35Å | 1.40Å | |
| OS2 | CS2 | doub | 1.21Å | 1.21Å | |
| CT2 | CS2 | sing | 1.51Å | 1.43Å | |
| NS3 | C3 | sing | 1.47Å | 1.51Å | |
| CS2 | NS2 | sing | 1.35Å | 1.44Å | |
| CM2 | CM | sing | 1.51Å | 1.41Å | |
| OA | CM | doub | 1.21Å | 1.22Å | |
| NS2 | C2 | sing | 1.47Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.59Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| CM | O4 | sing | 1.34Å | 1.39Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| O4 | C4 | sing | 1.45Å | 1.38Å | |
| C4 | C5 | sing | 1.53Å | 1.57Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C5 | O5 | sing | 1.43Å | 1.51Å | |
| C5 | C6 | sing | 1.51Å | 1.52Å | |
| O61 | C6 | doub | 1.21Å | 1.43Å | |
| C6 | O62 | sing | 1.34Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| NS2 | H7 | sing | 0.97Å | 1.00Å | |
| CT2 | H8 | sing | 1.09Å | 1.10Å | |
| CT2 | H9 | sing | 1.09Å | 1.10Å | |
| CT2 | H10 | sing | 1.09Å | 1.10Å | |
| NS3 | H11 | sing | 0.97Å | 1.00Å | |
| CT3 | H12 | sing | 1.09Å | 1.10Å | |
| CT3 | H13 | sing | 1.09Å | 1.10Å | |
| CT3 | H14 | sing | 1.09Å | 1.10Å | |
| CM2 | H15 | sing | 1.09Å | 1.10Å | |
| CM2 | H16 | sing | 1.09Å | 1.10Å | |
| CM2 | H17 | sing | 1.09Å | 1.10Å | |
| O62 | H18 | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.62Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CT3 | CS3 | OS3 | 120.1° | 120.0° |
| CT3 | CS3 | NS3 | 115.8° | 120.0° |
| CS3 | CT3 | H12 | 109.5° | 109.4° |
| CS3 | CT3 | H13 | 109.5° | 109.5° |
| CS3 | CT3 | H14 | 109.5° | 109.5° |
| OS3 | CS3 | NS3 | 124.1° | 120.0° |
| CS3 | NS3 | C3 | 134.6° | 120.0° |
| CS3 | NS3 | H11 | 112.7° | 120.0° |
| OS2 | CS2 | CT2 | 121.8° | 120.0° |
| OS2 | CS2 | NS2 | 123.7° | 120.0° |
| CT2 | CS2 | NS2 | 114.5° | 120.0° |
| CS2 | CT2 | H8 | 109.5° | 109.5° |
| CS2 | CT2 | H9 | 109.5° | 109.5° |
| CS2 | CT2 | H10 | 109.5° | 109.5° |
| NS3 | C3 | C2 | 116.5° | 109.6° |
| NS3 | C3 | C4 | 103.8° | 109.6° |
| NS3 | C3 | H3 | 109.1° | 109.6° |
| C3 | NS3 | H11 | 112.7° | 120.0° |
| CS2 | NS2 | C2 | 124.1° | 120.0° |
| CS2 | NS2 | H7 | 117.9° | 120.0° |
| CM2 | CM | OA | 122.5° | 120.0° |
| CM2 | CM | O4 | 113.8° | 120.0° |
| CM | CM2 | H15 | 109.5° | 109.5° |
| CM | CM2 | H16 | 109.5° | 109.5° |
| CM | CM2 | H17 | 109.5° | 109.5° |
| OA | CM | O4 | 123.8° | 120.0° |
| NS2 | C2 | C3 | 111.5° | 109.6° |
| NS2 | C2 | C1 | 120.1° | 109.5° |
| NS2 | C2 | H2 | 105.9° | 109.5° |
| C2 | NS2 | H7 | 118.0° | 120.0° |
| C2 | C3 | C4 | 109.8° | 109.0° |
| C3 | C2 | C1 | 109.2° | 109.2° |
| C3 | C2 | H2 | 104.2° | 109.5° |
| C2 | C3 | H3 | 108.2° | 109.5° |
| C3 | C4 | O4 | 106.9° | 109.6° |
| C3 | C4 | C5 | 107.4° | 109.2° |
| C3 | C4 | H4 | 110.2° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.5° |
| CM | O4 | C4 | 132.3° | 117.0° |
| C2 | C1 | O5 | 111.4° | 109.4° |
| C2 | C1 | H1 | 106.7° | 109.5° |
| C1 | C2 | H2 | 104.5° | 109.5° |
| C2 | C1 | O1 | 110.8° | 109.5° |
| O4 | C4 | C5 | 110.4° | 109.5° |
| O4 | C4 | H4 | 112.3° | 109.5° |
| C4 | C5 | O5 | 109.2° | 109.4° |
| C4 | C5 | C6 | 111.5° | 109.5° |
| C5 | C4 | H4 | 109.5° | 109.5° |
| C4 | C5 | H5 | 109.0° | 109.5° |
| C1 | O5 | C5 | 112.0° | 114.2° |
| O5 | C1 | H1 | 108.4° | 109.4° |
| O5 | C1 | O1 | 113.2° | 109.5° |
| O5 | C5 | C6 | 107.9° | 109.5° |
| O5 | C5 | H5 | 109.7° | 109.5° |
| C5 | C6 | O61 | 112.1° | 120.0° |
| C5 | C6 | O62 | 109.8° | 120.0° |
| C6 | C5 | H5 | 109.5° | 109.5° |
| O61 | C6 | O62 | 138.1° | 119.9° |
| C6 | O62 | H18 | 109.5° | 117.0° |
| H1 | C1 | O1 | 106.0° | 109.5° |
| H8 | CT2 | H9 | 109.4° | 109.5° |
| H8 | CT2 | H10 | 109.4° | 109.5° |
| H9 | CT2 | H10 | 109.5° | 109.4° |
| H12 | CT3 | H13 | 109.4° | 109.5° |
| H12 | CT3 | H14 | 109.5° | 109.5° |
| H13 | CT3 | H14 | 109.5° | 109.5° |
| H15 | CM2 | H16 | 109.4° | 109.5° |
| H15 | CM2 | H17 | 109.5° | 109.4° |
| H16 | CM2 | H17 | 109.4° | 109.4° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CT3 | CS3 | OS3 | NS3 | 179.2° | 179.9° |
| CT3 | CS3 | NS3 | C3 | 179.7° | 180.0° |
| CT3 | CS3 | NS3 | H11 | 0.3° | 0.1° |
| CS3 | CT3 | H12 | H13 | 120.0° | 119.9° |
| CS3 | CT3 | H12 | H14 | 120.0° | 120.0° |
| CS3 | CT3 | H13 | H14 | 120.0° | 120.0° |
| OS3 | CS3 | NS3 | C3 | 0.5° | 0.1° |
| OS3 | CS3 | NS3 | H11 | 179.5° | 180.0° |
| OS3 | CS3 | CT3 | H12 | 0.0° | 90.0° |
| OS3 | CS3 | CT3 | H13 | 120.0° | 29.9° |
| OS3 | CS3 | CT3 | H14 | 120.0° | 150.0° |
| CS3 | NS3 | C3 | H11 | 180.0° | 179.9° |
| CS3 | NS3 | C3 | C2 | 98.8° | 155.0° |
| CS3 | NS3 | C3 | C4 | 140.3° | 85.4° |
| CS3 | NS3 | C3 | H3 | 23.9° | 34.8° |
| NS3 | CS3 | CT3 | H12 | 179.2° | 90.1° |
| NS3 | CS3 | CT3 | H13 | 60.8° | 149.9° |
| NS3 | CS3 | CT3 | H14 | 59.2° | 29.9° |
| OS2 | CS2 | CT2 | NS2 | 179.5° | 180.0° |
| OS2 | CS2 | NS2 | C2 | 2.3° | 0.0° |
| OS2 | CS2 | NS2 | H7 | 177.6° | 179.9° |
| OS2 | CS2 | CT2 | H8 | 0.0° | 180.0° |
| OS2 | CS2 | CT2 | H9 | 120.0° | 59.9° |
| OS2 | CS2 | CT2 | H10 | 120.0° | 60.0° |
| CT2 | CS2 | NS2 | C2 | 178.2° | 180.0° |
| CT2 | CS2 | NS2 | H7 | 1.8° | 0.0° |
| CS2 | CT2 | H8 | H9 | 120.0° | 120.0° |
| CS2 | CT2 | H8 | H10 | 120.0° | 120.1° |
| CS2 | CT2 | H9 | H10 | 120.0° | 120.0° |
| NS3 | C3 | C2 | NS2 | 38.4° | 56.9° |
| NS3 | C3 | C2 | C4 | 117.6° | 119.9° |
| NS3 | C3 | C2 | H3 | 123.3° | 120.2° |
| NS3 | C3 | C4 | H3 | 116.3° | 120.2° |
| NS3 | C3 | C2 | C1 | 173.5° | 176.9° |
| NS3 | C3 | C4 | O4 | 57.0° | 63.2° |
| NS3 | C3 | C4 | C5 | 175.5° | 176.9° |
| NS3 | C3 | C2 | H2 | 75.4° | 63.2° |
| NS3 | C3 | C4 | H4 | 65.3° | 57.0° |
| CS2 | NS2 | C2 | H7 | 180.0° | 180.0° |
| CS2 | NS2 | C2 | C3 | 100.7° | 155.3° |
| CS2 | NS2 | C2 | C1 | 129.7° | 84.9° |
| CS2 | NS2 | C2 | H2 | 12.0° | 35.1° |
| NS2 | CS2 | CT2 | H8 | 179.5° | 0.0° |
| NS2 | CS2 | CT2 | H9 | 60.6° | 120.0° |
| NS2 | CS2 | CT2 | H10 | 59.5° | 120.0° |
| CM2 | CM | OA | O4 | 179.5° | 179.9° |
| CM2 | CM | O4 | C4 | 179.8° | 180.0° |
| CM | CM2 | H15 | H16 | 120.0° | 120.1° |
| CM | CM2 | H15 | H17 | 120.0° | 120.0° |
| CM | CM2 | H16 | H17 | 120.0° | 120.0° |
| OA | CM | O4 | C4 | 0.3° | 0.1° |
| OA | CM | CM2 | H15 | 0.0° | 179.9° |
| OA | CM | CM2 | H16 | 120.0° | 60.0° |
| OA | CM | CM2 | H17 | 120.0° | 60.0° |
| NS2 | C2 | C3 | C1 | 135.1° | 119.9° |
| NS2 | C2 | C3 | H2 | 113.7° | 120.1° |
| NS2 | C2 | C3 | C4 | 79.3° | 63.0° |
| NS2 | C2 | C1 | H2 | 118.4° | 120.0° |
| NS2 | C2 | C1 | O5 | 75.6° | 62.4° |
| NS2 | C2 | C1 | H1 | 166.3° | 177.7° |
| NS2 | C2 | C3 | H3 | 161.7° | 177.2° |
| NS2 | C2 | C1 | O1 | 51.4° | 57.6° |
| C2 | C3 | C4 | H3 | 118.4° | 119.8° |
| C3 | C2 | C1 | H2 | 111.0° | 120.0° |
| C2 | C3 | C4 | O4 | 177.7° | 176.9° |
| C2 | C3 | C4 | C5 | 59.2° | 57.0° |
| C3 | C2 | C1 | O5 | 55.0° | 57.5° |
| C3 | C2 | C1 | H1 | 63.1° | 62.4° |
| C2 | C3 | C4 | H4 | 60.0° | 63.0° |
| C3 | C2 | NS2 | H7 | 79.3° | 24.7° |
| C2 | C3 | NS3 | H11 | 81.2° | 25.1° |
| C3 | C2 | C1 | O1 | 178.0° | 177.6° |
| C3 | C4 | O4 | CM | 121.6° | 150.2° |
| C4 | C3 | C2 | C1 | 55.8° | 56.9° |
| C3 | C4 | O4 | C5 | 116.5° | 119.7° |
| C3 | C4 | O4 | H4 | 121.0° | 120.2° |
| C3 | C4 | C5 | H4 | 119.7° | 119.9° |
| C3 | C4 | C5 | O5 | 61.7° | 57.6° |
| C3 | C4 | C5 | C6 | 179.2° | 177.6° |
| C4 | C3 | C2 | H2 | 167.0° | 176.9° |
| C3 | C4 | C5 | H5 | 58.1° | 62.4° |
| C4 | C3 | NS3 | H11 | 39.7° | 94.5° |
| CM | O4 | C4 | C5 | 121.9° | 90.0° |
| CM | O4 | C4 | H4 | 0.6° | 30.1° |
| O4 | CM | CM2 | H15 | 179.5° | 0.0° |
| O4 | CM | CM2 | H16 | 59.5° | 120.1° |
| O4 | CM | CM2 | H17 | 60.4° | 120.0° |
| C2 | C1 | O5 | H1 | 117.1° | 119.9° |
| C2 | C1 | O5 | O1 | 125.7° | 120.1° |
| C2 | C1 | O5 | C5 | 59.5° | 61.1° |
| C2 | C1 | H1 | O1 | 118.1° | 120.1° |
| C1 | C2 | C3 | H3 | 63.2° | 62.9° |
| C1 | C2 | NS2 | H7 | 50.3° | 95.1° |
| C2 | C1 | O1 | HO1 | 180.0° | 179.9° |
| O4 | C4 | C5 | H4 | 124.1° | 120.1° |
| O4 | C4 | C5 | O5 | 177.9° | 177.6° |
| O4 | C4 | C5 | C6 | 63.0° | 62.4° |
| O4 | C4 | C5 | H5 | 58.1° | 57.6° |
| O4 | C4 | C3 | H3 | 59.3° | 57.0° |
| C4 | C5 | O5 | C1 | 62.8° | 61.2° |
| C4 | C5 | O5 | C6 | 121.4° | 120.0° |
| C4 | C5 | O5 | H5 | 119.3° | 120.0° |
| C4 | C5 | C6 | H5 | 120.7° | 120.0° |
| C4 | C5 | C6 | O61 | 42.0° | 115.0° |
| C4 | C5 | C6 | O62 | 137.4° | 65.0° |
| C5 | C4 | C3 | H3 | 59.2° | 62.9° |
| C1 | O5 | C5 | C6 | 175.8° | 178.9° |
| O5 | C1 | H1 | O1 | 121.8° | 120.0° |
| O5 | C1 | C2 | H2 | 166.0° | 177.5° |
| C1 | O5 | C5 | H5 | 56.6° | 58.8° |
| O5 | C1 | O1 | HO1 | 54.0° | 60.0° |
| O5 | C5 | C6 | H5 | 119.4° | 120.0° |
| O5 | C5 | C6 | O61 | 77.9° | 4.9° |
| O5 | C5 | C6 | O62 | 102.7° | 175.1° |
| C5 | O5 | C1 | H1 | 57.6° | 58.8° |
| O5 | C5 | C4 | H4 | 58.0° | 62.3° |
| C5 | O5 | C1 | O1 | 174.8° | 178.8° |
| C5 | C6 | O61 | O62 | 179.2° | 180.0° |
| C6 | C5 | C4 | H4 | 61.1° | 57.7° |
| C5 | C6 | O62 | H18 | 179.2° | 180.0° |
| O61 | C6 | C5 | H5 | 162.7° | 125.0° |
| O61 | C6 | O62 | H18 | 0.0° | 0.0° |
| O62 | C6 | C5 | H5 | 16.7° | 55.0° |
| H1 | C1 | C2 | H2 | 47.8° | 57.6° |
| H1 | C1 | O1 | HO1 | 64.7° | 60.0° |
| H2 | C2 | C3 | H3 | 47.9° | 57.1° |
| H2 | C2 | NS2 | H7 | 168.0° | 144.9° |
| H2 | C2 | C1 | O1 | 67.1° | 62.4° |
| H4 | C4 | C5 | H5 | 177.8° | 177.7° |
| H4 | C4 | C3 | H3 | 178.4° | 177.2° |
| H3 | C3 | NS3 | H11 | 156.0° | 145.3° |
| H8 | CT2 | H9 | H10 | 120.0° | 120.0° |
| H12 | CT3 | H13 | H14 | 120.0° | 120.0° |
| H15 | CM2 | H16 | H17 | 120.0° | 119.9° |
