ZSC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | NCS | sing | 1.46Å | 1.44Å | |
| CAH | SCU | sing | 1.81Å | 1.72Å | |
| OAJ | CBX | doub | 1.21Å | 1.21Å | |
| OAK | CBY | doub | 1.21Å | 1.22Å | |
| OAP | SCU | doub | 1.42Å | 1.47Å | |
| OAQ | SCU | doub | 1.42Å | 1.49Å | |
| CBH | CCF | doub | 1.39Å | 1.39Å | Aromatic |
| CBH | CCG | sing | 1.39Å | 1.38Å | Aromatic |
| CBI | CCF | sing | 1.40Å | 1.41Å | Aromatic |
| CBI | CCI | doub | 1.39Å | 1.37Å | Aromatic |
| CBJ | CCG | doub | 1.40Å | 1.40Å | Aromatic |
| CBJ | CCI | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | CBX | sing | 1.35Å | 1.45Å | |
| O1 | CBY | sing | 1.35Å | 1.48Å | |
| CBX | CCF | sing | 1.48Å | 1.52Å | |
| CBY | CCG | sing | 1.48Å | 1.53Å | |
| CCI | NCS | sing | 1.40Å | 1.47Å | |
| NCS | SCU | sing | 1.66Å | 1.64Å | |
| CAG | HAG | sing | 1.09Å | 1.10Å | |
| CAG | HAGA | sing | 1.09Å | 1.10Å | |
| CAG | HAGB | sing | 1.09Å | 1.10Å | |
| CAH | HAH | sing | 1.09Å | 1.10Å | |
| CAH | HAHA | sing | 1.09Å | 1.10Å | |
| CAH | HAHB | sing | 1.09Å | 1.10Å | |
| CBH | HBH | sing | 1.08Å | 1.08Å | |
| CBI | HBI | sing | 1.08Å | 1.08Å | |
| CBJ | HBJ | sing | 1.08Å | 1.08Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | NCS | CCI | 119.3° | 120.0° |
| CAG | NCS | SCU | 119.8° | 120.0° |
| NCS | CAG | HAG | 109.5° | 109.5° |
| NCS | CAG | HAGA | 109.5° | 109.5° |
| NCS | CAG | HAGB | 109.5° | 109.5° |
| CAH | SCU | OAP | 112.3° | 110.5° |
| CAH | SCU | OAQ | 108.1° | 110.5° |
| CAH | SCU | NCS | 110.9° | 104.5° |
| SCU | CAH | HAH | 109.5° | 109.4° |
| SCU | CAH | HAHA | 109.5° | 109.5° |
| SCU | CAH | HAHB | 109.4° | 109.5° |
| OAJ | CBX | O2 | 122.5° | 120.0° |
| OAJ | CBX | CCF | 121.6° | 120.0° |
| OAK | CBY | O1 | 127.5° | 120.0° |
| OAK | CBY | CCG | 119.8° | 120.0° |
| OAP | SCU | OAQ | 109.7° | 121.0° |
| OAP | SCU | NCS | 106.5° | 104.3° |
| OAQ | SCU | NCS | 109.3° | 104.3° |
| CCF | CBH | CCG | 119.5° | 119.8° |
| CBH | CCF | CBI | 120.2° | 119.9° |
| CBH | CCF | CBX | 116.9° | 120.0° |
| CCF | CBH | HBH | 120.3° | 120.0° |
| CBH | CCG | CBJ | 121.4° | 120.0° |
| CBH | CCG | CBY | 117.8° | 120.0° |
| CCG | CBH | HBH | 120.2° | 120.1° |
| CCF | CBI | CCI | 119.2° | 120.1° |
| CBI | CCF | CBX | 122.8° | 120.0° |
| CCF | CBI | HBI | 120.4° | 120.0° |
| CBI | CCI | CBJ | 121.2° | 120.1° |
| CBI | CCI | NCS | 119.8° | 119.9° |
| CCI | CBI | HBI | 120.4° | 119.9° |
| CCG | CBJ | CCI | 118.5° | 120.1° |
| CBJ | CCG | CBY | 120.8° | 120.0° |
| CCG | CBJ | HBJ | 120.7° | 120.0° |
| CBJ | CCI | NCS | 119.0° | 120.0° |
| CCI | CBJ | HBJ | 120.7° | 119.9° |
| O2 | CBX | CCF | 115.9° | 120.0° |
| CBX | O2 | HO2 | 109.5° | 117.0° |
| O1 | CBY | CCG | 112.7° | 120.0° |
| CBY | O1 | HO1 | 109.5° | 117.1° |
| CCI | NCS | SCU | 120.9° | 120.0° |
| HAG | CAG | HAGA | 109.4° | 109.4° |
| HAG | CAG | HAGB | 109.5° | 109.5° |
| HAGA | CAG | HAGB | 109.5° | 109.5° |
| HAH | CAH | HAHA | 109.4° | 109.5° |
| HAH | CAH | HAHB | 109.5° | 109.5° |
| HAHA | CAH | HAHB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | NCS | SCU | CAH | 86.3° | 90.0° |
| CAG | NCS | SCU | OAP | 36.2° | 26.1° |
| CAG | NCS | SCU | OAQ | 154.7° | 153.9° |
| CAG | NCS | CCI | CBI | 140.2° | 25.0° |
| CAG | NCS | CCI | CBJ | 39.9° | 155.0° |
| CAG | NCS | CCI | SCU | 179.8° | 180.0° |
| NCS | CAG | HAG | HAGA | 120.0° | 120.0° |
| NCS | CAG | HAG | HAGB | 120.0° | 120.0° |
| NCS | CAG | HAGA | HAGB | 120.0° | 120.0° |
| CAH | SCU | OAP | OAQ | 120.2° | 131.5° |
| CAH | SCU | OAP | NCS | 121.6° | 111.8° |
| CAH | SCU | OAQ | NCS | 120.8° | 111.8° |
| CAH | SCU | NCS | CCI | 93.5° | 90.0° |
| SCU | CAH | HAH | HAHA | 120.0° | 120.0° |
| SCU | CAH | HAH | HAHB | 120.0° | 120.0° |
| SCU | CAH | HAHA | HAHB | 120.0° | 120.0° |
| OAJ | CBX | CCF | CBH | 137.2° | 180.0° |
| OAJ | CBX | CCF | CBI | 44.3° | 0.0° |
| OAJ | CBX | O2 | CCF | 179.5° | 180.0° |
| OAJ | CBX | O2 | HO2 | 0.0° | 0.1° |
| OAK | CBY | CCG | CBH | 141.3° | 180.0° |
| OAK | CBY | CCG | CBJ | 41.1° | 0.1° |
| OAK | CBY | O1 | CCG | 179.3° | 180.0° |
| OAK | CBY | O1 | HO1 | 0.0° | 0.0° |
| OAP | SCU | OAQ | NCS | 116.4° | 116.8° |
| OAP | SCU | NCS | CCI | 144.0° | 153.9° |
| OAP | SCU | CAH | HAH | 180.0° | 51.6° |
| OAP | SCU | CAH | HAHA | 60.0° | 171.7° |
| OAP | SCU | CAH | HAHB | 60.0° | 68.3° |
| OAQ | SCU | NCS | CCI | 25.6° | 26.1° |
| OAQ | SCU | CAH | HAH | 58.9° | 171.6° |
| OAQ | SCU | CAH | HAHA | 178.8° | 51.6° |
| OAQ | SCU | CAH | HAHB | 61.1° | 68.4° |
| CCF | CBH | CCG | HBH | 180.0° | 179.8° |
| CBH | CCF | CBI | CBX | 178.5° | 180.0° |
| CBH | CCF | CBI | CCI | 1.1° | 0.0° |
| CCF | CBH | CCG | CBJ | 1.9° | 0.1° |
| CBH | CCF | CBX | O2 | 42.3° | 0.0° |
| CCF | CBH | CCG | CBY | 179.5° | 180.0° |
| CBH | CCF | CBI | HBI | 178.9° | 180.0° |
| CCG | CBH | CCF | CBI | 1.7° | 0.0° |
| CBH | CCG | CBJ | CBY | 177.5° | 179.9° |
| CBH | CCG | CBJ | CCI | 1.5° | 0.0° |
| CBH | CCG | CBY | O1 | 39.3° | 0.0° |
| CCG | CBH | CCF | CBX | 179.7° | 179.9° |
| CBH | CCG | CBJ | HBJ | 178.5° | 180.0° |
| CCF | CBI | CCI | HBI | 180.0° | 180.0° |
| CCF | CBI | CCI | CBJ | 0.8° | 0.0° |
| CBI | CCF | CBX | O2 | 136.2° | 180.0° |
| CCF | CBI | CCI | NCS | 179.3° | 180.0° |
| CBI | CCF | CBH | HBH | 178.3° | 179.7° |
| CBI | CCI | CBJ | CCG | 1.0° | 0.0° |
| CBI | CCI | CBJ | NCS | 179.9° | 180.0° |
| CCI | CBI | CCF | CBX | 179.6° | 180.0° |
| CBI | CCI | NCS | SCU | 39.6° | 155.0° |
| CBI | CCI | CBJ | HBJ | 179.1° | 180.0° |
| CCG | CBJ | CCI | HBJ | 180.0° | 180.0° |
| CBJ | CCG | CBY | O1 | 138.3° | 179.9° |
| CCG | CBJ | CCI | NCS | 179.1° | 180.0° |
| CBJ | CCG | CBH | HBH | 178.0° | 179.7° |
| CCI | CBJ | CCG | CBY | 179.1° | 180.0° |
| CBJ | CCI | NCS | SCU | 140.4° | 25.0° |
| CBJ | CCI | CBI | HBI | 179.3° | 180.0° |
| CBX | CCF | CBH | HBH | 0.3° | 0.3° |
| CBX | CCF | CBI | HBI | 0.4° | 0.0° |
| CCF | CBX | O2 | HO2 | 179.5° | 180.0° |
| CBY | CCG | CBH | HBH | 0.4° | 0.2° |
| CBY | CCG | CBJ | HBJ | 0.9° | 0.0° |
| CCG | CBY | O1 | HO1 | 179.3° | 179.9° |
| CCI | NCS | CAG | HAG | 180.0° | 90.0° |
| CCI | NCS | CAG | HAGA | 60.0° | 150.0° |
| CCI | NCS | CAG | HAGB | 60.0° | 30.0° |
| NCS | CCI | CBI | HBI | 0.7° | 0.1° |
| NCS | CCI | CBJ | HBJ | 0.9° | 0.0° |
| SCU | NCS | CAG | HAG | 0.2° | 90.0° |
| SCU | NCS | CAG | HAGA | 119.8° | 30.0° |
| SCU | NCS | CAG | HAGB | 120.2° | 150.0° |
| NCS | SCU | CAH | HAH | 61.0° | 60.0° |
| NCS | SCU | CAH | HAHA | 59.0° | 60.0° |
| NCS | SCU | CAH | HAHB | 179.1° | 180.0° |
| HAG | CAG | HAGA | HAGB | 120.0° | 120.0° |
| HAH | CAH | HAHA | HAHB | 120.0° | 120.0° |
