ASZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | SAI | doub | 1.42Å | 1.48Å | |
| SAI | OAE | doub | 1.42Å | 1.48Å | |
| SAI | OAD | sing | 1.52Å | 1.50Å | |
| SAI | CAG | sing | 1.81Å | 1.69Å | |
| CAG | CAF | sing | 1.53Å | 1.55Å | |
| CAF | NAH | sing | 1.47Å | 1.51Å | |
| NAH | CAB | sing | 1.47Å | 1.48Å | |
| NAH | CAA | sing | 1.47Å | 1.48Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| CAG | HAG1 | sing | 1.09Å | 1.10Å | |
| CAG | HAG2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF1 | sing | 1.09Å | 1.10Å | |
| CAF | HAF2 | 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 | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | SAI | OAE | 106.3° | 121.0° |
| OAC | SAI | OAD | 108.9° | 104.3° |
| OAC | SAI | CAG | 107.4° | 110.6° |
| OAE | SAI | OAD | 110.3° | 104.2° |
| OAE | SAI | CAG | 111.2° | 110.5° |
| OAD | SAI | CAG | 112.4° | 104.4° |
| SAI | OAD | HAD | 109.5° | 114.0° |
| SAI | CAG | CAF | 115.7° | 109.5° |
| SAI | CAG | HAG1 | 107.4° | 109.5° |
| SAI | CAG | HAG2 | 106.0° | 109.4° |
| CAG | CAF | NAH | 115.6° | 109.5° |
| CAF | CAG | HAG1 | 107.4° | 109.5° |
| CAF | CAG | HAG2 | 106.0° | 109.4° |
| CAG | CAF | HAF1 | 107.5° | 109.5° |
| CAG | CAF | HAF2 | 106.1° | 109.4° |
| CAF | NAH | CAB | 116.1° | 111.0° |
| CAF | NAH | CAA | 113.6° | 111.0° |
| NAH | CAF | HAF1 | 107.4° | 109.4° |
| NAH | CAF | HAF2 | 106.0° | 109.5° |
| CAB | NAH | CAA | 106.9° | 111.0° |
| NAH | CAB | HAB1 | 109.5° | 109.5° |
| NAH | CAB | HAB2 | 109.5° | 109.5° |
| NAH | CAB | HAB3 | 109.4° | 109.5° |
| NAH | CAA | HAA1 | 109.5° | 109.5° |
| NAH | CAA | HAA2 | 109.5° | 109.4° |
| NAH | CAA | HAA3 | 109.4° | 109.5° |
| HAG1 | CAG | HAG2 | 114.5° | 109.5° |
| HAF1 | CAF | HAF2 | 114.4° | 109.5° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.5° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.4° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | SAI | OAE | OAD | 118.0° | 116.7° |
| OAC | SAI | OAE | CAG | 116.7° | 131.6° |
| OAC | SAI | OAD | CAG | 118.9° | 116.1° |
| OAC | SAI | CAG | CAF | 112.0° | 68.3° |
| OAC | SAI | OAD | HAD | 70.4° | 63.9° |
| OAC | SAI | CAG | HAG1 | 128.0° | 171.6° |
| OAC | SAI | CAG | HAG2 | 5.1° | 51.6° |
| OAE | SAI | OAD | CAG | 124.7° | 116.0° |
| OAE | SAI | CAG | CAF | 3.9° | 68.4° |
| OAE | SAI | OAD | HAD | 46.0° | 63.9° |
| OAE | SAI | CAG | HAG1 | 116.1° | 51.6° |
| OAE | SAI | CAG | HAG2 | 121.1° | 171.6° |
| OAD | SAI | CAG | CAF | 128.2° | 180.0° |
| OAD | SAI | CAG | HAG1 | 8.2° | 59.9° |
| OAD | SAI | CAG | HAG2 | 114.7° | 60.0° |
| SAI | CAG | CAF | HAG1 | 120.0° | 120.1° |
| SAI | CAG | CAF | HAG2 | 117.2° | 119.9° |
| SAI | CAG | CAF | NAH | 167.7° | 180.0° |
| CAG | SAI | OAD | HAD | 170.7° | 180.0° |
| SAI | CAG | HAG1 | HAG2 | 117.4° | 120.0° |
| SAI | CAG | CAF | HAF1 | 72.3° | 60.0° |
| SAI | CAG | CAF | HAF2 | 50.6° | 60.1° |
| CAG | CAF | NAH | HAF1 | 120.0° | 120.0° |
| CAG | CAF | NAH | HAF2 | 117.2° | 119.9° |
| CAG | CAF | NAH | CAB | 6.5° | 66.1° |
| CAG | CAF | NAH | CAA | 131.0° | 170.0° |
| CAF | CAG | HAG1 | HAG2 | 117.5° | 120.0° |
| CAG | CAF | HAF1 | HAF2 | 117.5° | 120.0° |
| CAF | NAH | CAB | CAA | 127.9° | 123.9° |
| NAH | CAF | CAG | HAG1 | 47.7° | 59.9° |
| NAH | CAF | CAG | HAG2 | 75.1° | 60.0° |
| NAH | CAF | HAF1 | HAF2 | 117.4° | 120.0° |
| CAF | NAH | CAB | HAB1 | 1.3° | 60.0° |
| CAF | NAH | CAB | HAB2 | 118.7° | 180.0° |
| CAF | NAH | CAB | HAB3 | 121.3° | 60.0° |
| CAF | NAH | CAA | HAA1 | 166.1° | 60.0° |
| CAF | NAH | CAA | HAA2 | 46.1° | 180.0° |
| CAF | NAH | CAA | HAA3 | 73.9° | 59.9° |
| CAB | NAH | CAF | HAF1 | 113.5° | 53.9° |
| CAB | NAH | CAF | HAF2 | 123.7° | 174.0° |
| NAH | CAB | HAB1 | HAB2 | 120.0° | 120.0° |
| NAH | CAB | HAB1 | HAB3 | 120.0° | 120.0° |
| NAH | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAB | NAH | CAA | HAA1 | 36.8° | 176.1° |
| CAB | NAH | CAA | HAA2 | 83.2° | 56.1° |
| CAB | NAH | CAA | HAA3 | 156.8° | 63.9° |
| CAA | NAH | CAF | HAF1 | 11.0° | 70.0° |
| CAA | NAH | CAF | HAF2 | 111.8° | 50.0° |
| CAA | NAH | CAB | HAB1 | 129.2° | 63.9° |
| CAA | NAH | CAB | HAB2 | 9.2° | 56.1° |
| CAA | NAH | CAB | HAB3 | 110.8° | 176.1° |
| NAH | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| NAH | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| NAH | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAG1 | CAG | CAF | HAF1 | 167.7° | 179.9° |
| HAG1 | CAG | CAF | HAF2 | 69.5° | 60.0° |
| HAG2 | CAG | CAF | HAF1 | 44.9° | 59.9° |
| HAG2 | CAG | CAF | HAF2 | 167.7° | 180.0° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
