VAZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| SAQ | CAY | sing | 1.81Å | 1.92Å | |
| SAQ | CAA | sing | 1.81Å | 1.87Å | |
| CAY | OAJ | sing | 1.43Å | 1.44Å | |
| CAY | CAZ | sing | 1.53Å | 1.50Å | |
| CAZ | CAU | sing | 1.51Å | 1.58Å | |
| CAZ | OAP | sing | 1.45Å | 1.44Å | |
| CAU | OAI | doub | 1.21Å | 1.28Å | |
| CAU | OAE | sing | 1.34Å | 1.30Å | |
| OAP | CAV | sing | 1.34Å | 1.32Å | |
| CAV | OAF | doub | 1.21Å | 1.15Å | |
| CAV | CAX | sing | 1.51Å | 1.51Å | |
| CAX | CAN | sing | 1.53Å | 1.53Å | |
| CAX | NAO | sing | 1.47Å | 1.45Å | |
| CAN | SAR | sing | 1.81Å | 1.81Å | |
| SAR | OAG | doub | 1.42Å | 1.34Å | |
| NAO | CAS | sing | 1.35Å | 1.32Å | |
| CAS | OAC | doub | 1.21Å | 1.26Å | |
| CAS | CAL | sing | 1.51Å | 1.47Å | |
| CAL | CAK | sing | 1.53Å | 1.54Å | |
| CAK | CB | sing | 1.53Å | 1.57Å | |
| CB | CA | sing | 1.53Å | 1.46Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.44Å | |
| C | OXT | doub | 1.21Å | 1.23Å | |
| C | O | sing | 1.34Å | 1.23Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å | |
| OAJ | HAJ | sing | 0.97Å | 0.95Å | |
| CAZ | HAZ | sing | 1.09Å | 1.10Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAX | HAX | sing | 1.09Å | 1.10Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| NAO | HAO | sing | 0.97Å | 1.00Å | |
| CAL | HAL1 | sing | 1.09Å | 1.10Å | |
| CAL | HAL2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | sing | 1.09Å | 1.10Å | |
| CB | HBC1 | sing | 1.09Å | 1.10Å | |
| CB | HBC2 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| CAY | HAY | sing | 1.09Å | 1.10Å | |
| SAR | HAR | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | SAQ | CAA | 100.3° | 103.0° |
| SAQ | CAY | OAJ | 124.2° | 109.5° |
| SAQ | CAY | CAZ | 121.2° | 109.5° |
| SAQ | CAY | HAY | 83.5° | 109.5° |
| SAQ | CAA | HAA1 | 109.5° | 109.5° |
| SAQ | CAA | HAA2 | 109.5° | 109.5° |
| SAQ | CAA | HAA3 | 109.5° | 109.5° |
| OAJ | CAY | CAZ | 99.1° | 109.5° |
| CAY | OAJ | HAJ | 109.5° | 114.0° |
| OAJ | CAY | HAY | 112.8° | 109.4° |
| CAY | CAZ | CAU | 126.2° | 109.5° |
| CAY | CAZ | OAP | 90.6° | 109.5° |
| CAY | CAZ | HAZ | 112.0° | 109.5° |
| CAZ | CAY | HAY | 116.6° | 109.5° |
| CAU | CAZ | OAP | 109.3° | 109.4° |
| CAZ | CAU | OAI | 113.2° | 120.0° |
| CAZ | CAU | OAE | 122.6° | 120.0° |
| CAU | CAZ | HAZ | 94.2° | 109.5° |
| CAZ | OAP | CAV | 113.5° | 117.0° |
| OAP | CAZ | HAZ | 128.2° | 109.5° |
| OAI | CAU | OAE | 124.2° | 120.0° |
| CAU | OAE | HAE | 109.5° | 117.0° |
| OAP | CAV | OAF | 126.1° | 120.0° |
| OAP | CAV | CAX | 113.1° | 120.0° |
| OAF | CAV | CAX | 120.8° | 120.0° |
| CAV | CAX | CAN | 114.6° | 109.5° |
| CAV | CAX | NAO | 110.9° | 109.5° |
| CAV | CAX | HAX | 103.1° | 109.4° |
| CAN | CAX | NAO | 103.0° | 109.5° |
| CAX | CAN | SAR | 109.7° | 109.5° |
| CAN | CAX | HAX | 111.0° | 109.5° |
| CAX | CAN | HAN1 | 109.4° | 109.5° |
| CAX | CAN | HAN2 | 109.4° | 109.4° |
| CAX | NAO | CAS | 123.9° | 120.0° |
| NAO | CAX | HAX | 114.7° | 109.5° |
| CAX | NAO | HAO | 118.1° | 120.0° |
| CAN | SAR | OAG | 92.0° | 109.5° |
| SAR | CAN | HAN1 | 109.4° | 109.5° |
| SAR | CAN | HAN2 | 109.4° | 109.5° |
| CAN | SAR | HAR | 115.8° | 103.0° |
| OAG | SAR | HAR | 115.8° | 103.0° |
| NAO | CAS | OAC | 120.9° | 120.0° |
| NAO | CAS | CAL | 114.9° | 120.0° |
| CAS | NAO | HAO | 118.1° | 120.0° |
| OAC | CAS | CAL | 123.0° | 120.0° |
| CAS | CAL | CAK | 111.3° | 109.5° |
| CAS | CAL | HAL1 | 108.9° | 109.5° |
| CAS | CAL | HAL2 | 108.4° | 109.5° |
| CAL | CAK | CB | 105.9° | 109.5° |
| CAK | CAL | HAL1 | 108.9° | 109.5° |
| CAK | CAL | HAL2 | 108.5° | 109.4° |
| CAL | CAK | HAK1 | 110.7° | 109.5° |
| CAL | CAK | HAK2 | 111.5° | 109.5° |
| CAK | CB | CA | 114.4° | 109.5° |
| CB | CAK | HAK1 | 110.7° | 109.4° |
| CB | CAK | HAK2 | 111.5° | 109.5° |
| CAK | CB | HBC1 | 107.9° | 109.5° |
| CAK | CB | HBC2 | 106.8° | 109.5° |
| CB | CA | C | 108.4° | 109.5° |
| CB | CA | N | 116.1° | 109.4° |
| CA | CB | HBC1 | 107.9° | 109.4° |
| CA | CB | HBC2 | 106.8° | 109.5° |
| CB | CA | HA | 106.3° | 109.5° |
| C | CA | N | 111.3° | 109.5° |
| CA | C | OXT | 117.0° | 120.0° |
| CA | C | O | 119.1° | 120.0° |
| C | CA | HA | 111.6° | 109.5° |
| N | CA | HA | 103.0° | 109.4° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| OXT | C | O | 123.8° | 120.0° |
| C | O | H | 109.5° | 116.9° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.4° | 109.4° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| HAN1 | CAN | HAN2 | 109.6° | 109.5° |
| HAL1 | CAL | HAL2 | 110.9° | 109.5° |
| HAK1 | CAK | HAK2 | 106.7° | 109.5° |
| HBC1 | CB | HBC2 | 113.3° | 109.5° |
| HN1 | N | HN2 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| SAQ | CAY | OAJ | CAZ | 138.0° | 120.0° |
| SAQ | CAY | OAJ | HAY | 97.9° | 120.0° |
| SAQ | CAY | CAZ | HAY | 99.0° | 120.0° |
| SAQ | CAY | CAZ | CAU | 36.6° | 60.0° |
| SAQ | CAY | CAZ | OAP | 78.1° | 180.0° |
| CAY | SAQ | CAA | HAA1 | 91.4° | 180.0° |
| CAY | SAQ | CAA | HAA2 | 148.6° | 60.0° |
| CAY | SAQ | CAA | HAA3 | 28.6° | 60.0° |
| SAQ | CAY | OAJ | HAJ | 35.7° | 60.1° |
| SAQ | CAY | CAZ | HAZ | 149.8° | 60.0° |
| CAA | SAQ | CAY | OAJ | 31.1° | 65.0° |
| CAA | SAQ | CAY | CAZ | 98.4° | 175.0° |
| SAQ | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| SAQ | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| SAQ | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| CAA | SAQ | CAY | HAY | 144.3° | 55.0° |
| OAJ | CAY | CAZ | HAY | 121.2° | 119.9° |
| OAJ | CAY | CAZ | CAU | 103.1° | 180.0° |
| OAJ | CAY | CAZ | OAP | 142.2° | 60.0° |
| OAJ | CAY | CAZ | HAZ | 10.1° | 60.0° |
| CAY | CAZ | CAU | OAP | 105.6° | 120.0° |
| CAY | CAZ | CAU | HAZ | 121.3° | 120.0° |
| CAY | CAZ | OAP | HAZ | 119.0° | 120.0° |
| CAY | CAZ | CAU | OAI | 117.6° | 115.0° |
| CAY | CAZ | CAU | OAE | 61.1° | 65.0° |
| CAY | CAZ | OAP | CAV | 83.2° | 150.0° |
| CAZ | CAY | OAJ | HAJ | 173.8° | 60.0° |
| CAU | CAZ | OAP | HAZ | 112.0° | 120.0° |
| CAZ | CAU | OAI | OAE | 178.8° | 179.9° |
| CAU | CAZ | OAP | CAV | 147.8° | 90.0° |
| CAZ | CAU | OAE | HAE | 178.6° | 180.0° |
| CAU | CAZ | CAY | HAY | 135.7° | 60.0° |
| OAP | CAZ | CAU | OAI | 12.0° | 5.0° |
| OAP | CAZ | CAU | OAE | 166.8° | 175.0° |
| CAZ | OAP | CAV | OAF | 20.7° | 0.0° |
| CAZ | OAP | CAV | CAX | 160.1° | 180.0° |
| OAP | CAZ | CAY | HAY | 21.0° | 59.9° |
| OAI | CAU | CAZ | HAZ | 121.1° | 125.0° |
| OAI | CAU | OAE | HAE | 0.0° | 0.1° |
| OAE | CAU | CAZ | HAZ | 60.1° | 55.0° |
| OAP | CAV | OAF | CAX | 179.2° | 179.9° |
| OAP | CAV | CAX | CAN | 58.9° | 60.0° |
| OAP | CAV | CAX | NAO | 175.0° | 180.0° |
| CAV | OAP | CAZ | HAZ | 35.8° | 30.0° |
| OAP | CAV | CAX | HAX | 61.7° | 60.0° |
| OAF | CAV | CAX | CAN | 121.8° | 120.0° |
| OAF | CAV | CAX | NAO | 5.7° | 0.0° |
| OAF | CAV | CAX | HAX | 117.5° | 120.0° |
| CAV | CAX | CAN | NAO | 120.5° | 120.0° |
| CAV | CAX | CAN | HAX | 116.2° | 120.0° |
| CAV | CAX | NAO | HAX | 116.3° | 120.0° |
| CAV | CAX | CAN | SAR | 49.6° | 180.0° |
| CAV | CAX | NAO | CAS | 114.4° | 155.0° |
| CAV | CAX | CAN | HAN1 | 70.4° | 60.0° |
| CAV | CAX | CAN | HAN2 | 169.6° | 60.0° |
| CAV | CAX | NAO | HAO | 65.6° | 25.0° |
| CAN | CAX | NAO | HAX | 120.7° | 120.1° |
| CAX | CAN | SAR | HAN1 | 120.0° | 120.1° |
| CAX | CAN | SAR | HAN2 | 119.9° | 119.9° |
| CAX | CAN | SAR | OAG | 78.4° | 180.0° |
| CAN | CAX | NAO | CAS | 122.5° | 85.0° |
| CAX | CAN | HAN1 | HAN2 | 119.9° | 120.0° |
| CAN | CAX | NAO | HAO | 57.5° | 95.0° |
| CAX | CAN | SAR | HAR | 161.6° | 70.9° |
| NAO | CAX | CAN | SAR | 70.9° | 60.0° |
| CAX | NAO | CAS | HAO | 180.0° | 179.9° |
| CAX | NAO | CAS | OAC | 8.7° | 0.0° |
| CAX | NAO | CAS | CAL | 176.9° | 180.0° |
| NAO | CAX | CAN | HAN1 | 169.1° | 60.0° |
| NAO | CAX | CAN | HAN2 | 49.0° | 180.0° |
| CAN | SAR | OAG | HAR | 120.0° | 109.1° |
| SAR | CAN | CAX | HAX | 165.9° | 60.0° |
| SAR | CAN | HAN1 | HAN2 | 119.9° | 120.0° |
| OAG | SAR | CAN | HAN1 | 41.6° | 59.9° |
| OAG | SAR | CAN | HAN2 | 161.7° | 60.1° |
| NAO | CAS | OAC | CAL | 167.3° | 179.9° |
| NAO | CAS | CAL | CAK | 103.3° | 180.0° |
| CAS | NAO | CAX | HAX | 1.8° | 35.1° |
| NAO | CAS | CAL | HAL1 | 16.7° | 60.0° |
| NAO | CAS | CAL | HAL2 | 137.5° | 60.1° |
| OAC | CAS | CAL | CAK | 64.7° | 0.0° |
| OAC | CAS | NAO | HAO | 171.3° | 180.0° |
| OAC | CAS | CAL | HAL1 | 175.3° | 120.0° |
| OAC | CAS | CAL | HAL2 | 54.6° | 120.0° |
| CAS | CAL | CAK | HAL1 | 120.0° | 120.1° |
| CAS | CAL | CAK | HAL2 | 119.2° | 120.0° |
| CAS | CAL | CAK | CB | 179.6° | 180.0° |
| CAL | CAS | NAO | HAO | 3.1° | 0.1° |
| CAS | CAL | HAL1 | HAL2 | 119.2° | 120.0° |
| CAS | CAL | CAK | HAK1 | 60.4° | 60.0° |
| CAS | CAL | CAK | HAK2 | 58.2° | 60.0° |
| CAL | CAK | CB | HAK1 | 120.0° | 120.0° |
| CAL | CAK | CB | HAK2 | 121.4° | 120.0° |
| CAL | CAK | CB | CA | 166.6° | 180.0° |
| CAK | CAL | HAL1 | HAL2 | 119.3° | 119.9° |
| CAL | CAK | HAK1 | HAK2 | 121.5° | 120.0° |
| CAL | CAK | CB | HBC1 | 73.3° | 60.0° |
| CAL | CAK | CB | HBC2 | 48.8° | 60.0° |
| CAK | CB | CA | HBC1 | 120.0° | 120.0° |
| CAK | CB | CA | HBC2 | 117.8° | 120.0° |
| CAK | CB | CA | C | 177.7° | 175.0° |
| CAK | CB | CA | N | 51.6° | 65.0° |
| CB | CAK | CAL | HAL1 | 59.6° | 60.0° |
| CB | CAK | CAL | HAL2 | 61.2° | 60.0° |
| CB | CAK | HAK1 | HAK2 | 121.4° | 120.0° |
| CAK | CB | HBC1 | HBC2 | 118.0° | 120.0° |
| CAK | CB | CA | HA | 62.3° | 54.9° |
| CB | CA | C | N | 128.8° | 120.0° |
| CB | CA | C | HA | 116.7° | 120.1° |
| CB | CA | N | HA | 115.7° | 120.0° |
| CB | CA | C | OXT | 118.5° | 100.0° |
| CB | CA | C | O | 64.2° | 80.0° |
| CA | CB | CAK | HAK1 | 46.6° | 60.0° |
| CA | CB | CAK | HAK2 | 72.0° | 60.0° |
| CA | CB | HBC1 | HBC2 | 118.0° | 120.0° |
| CB | CA | N | HN1 | 149.4° | 176.1° |
| CB | CA | N | HN2 | 90.6° | 60.1° |
| C | CA | N | HA | 119.7° | 120.0° |
| CA | C | OXT | O | 177.2° | 180.0° |
| C | CA | CB | HBC1 | 62.3° | 55.1° |
| C | CA | CB | HBC2 | 59.9° | 65.0° |
| C | CA | N | HN1 | 86.0° | 63.9° |
| C | CA | N | HN2 | 34.0° | 59.9° |
| CA | C | O | H | 177.2° | 180.0° |
| N | CA | C | OXT | 10.4° | 20.0° |
| N | CA | C | O | 167.0° | 160.0° |
| N | CA | CB | HBC1 | 171.6° | 175.1° |
| N | CA | CB | HBC2 | 66.3° | 55.0° |
| CA | N | HN1 | HN2 | 120.0° | 123.9° |
| OXT | C | CA | HA | 124.9° | 140.0° |
| OXT | C | O | H | 0.0° | 0.0° |
| O | C | CA | HA | 52.5° | 40.1° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAJ | OAJ | CAY | HAY | 62.2° | 179.9° |
| HAZ | CAZ | CAY | HAY | 111.2° | 179.9° |
| HAX | CAX | CAN | HAN1 | 45.9° | 179.9° |
| HAX | CAX | CAN | HAN2 | 74.2° | 60.0° |
| HAX | CAX | NAO | HAO | 178.2° | 145.0° |
| HAN1 | CAN | SAR | HAR | 78.4° | 169.0° |
| HAN2 | CAN | SAR | HAR | 41.7° | 49.0° |
| HAL1 | CAL | CAK | HAK1 | 179.6° | 179.9° |
| HAL1 | CAL | CAK | HAK2 | 61.8° | 60.0° |
| HAL2 | CAL | CAK | HAK1 | 58.8° | 60.0° |
| HAL2 | CAL | CAK | HAK2 | 177.4° | 180.0° |
| HAK1 | CAK | CB | HBC1 | 166.7° | 180.0° |
| HAK1 | CAK | CB | HBC2 | 71.2° | 60.0° |
| HAK2 | CAK | CB | HBC1 | 48.1° | 60.0° |
| HAK2 | CAK | CB | HBC2 | 170.2° | 180.0° |
| HBC1 | CB | CA | HA | 57.7° | 65.0° |
| HBC2 | CB | CA | HA | 179.9° | 175.0° |
| HA | CA | N | HN1 | 33.7° | 56.1° |
| HA | CA | N | HN2 | 153.7° | 180.0° |
