GVS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAE | CAO | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAO | CAF | sing | 1.53Å | 1.53Å | |
| CAF | SAG | sing | 1.81Å | 1.83Å | |
| SAG | OAP | doub | 1.42Å | 1.49Å | |
| SAG | OAB | doub | 1.42Å | 1.50Å | |
| SAG | NAH | sing | 1.66Å | 1.70Å | |
| NAH | CAI | sing | 1.47Å | 1.49Å | |
| CAI | CAJ | sing | 1.47Å | 1.49Å | |
| CAJ | CAK | trip | 1.17Å | 1.27Å | |
| CAK | CAL | sing | 1.43Å | 1.45Å | |
| CAL | CAQ | doub | 1.37Å | 1.39Å | |
| CAL | CAC | sing | 1.47Å | 1.39Å | |
| CAQ | NAR | sing | 1.36Å | 1.42Å | |
| CAC | NAA | sing | 1.37Å | 1.33Å | |
| CAC | NAD | doub | 1.33Å | 1.35Å | |
| NAD | CAM | sing | 1.33Å | 1.35Å | |
| CAM | OAN | doub | 1.22Å | 1.24Å | |
| CAM | NAR | sing | 1.34Å | 1.43Å | |
| NAR | CAT | sing | 1.46Å | 1.54Å | |
| CAT | CAS | sing | 1.54Å | 1.53Å | |
| CAT | CBA | sing | 1.54Å | 1.52Å | |
| CAT | CAU | sing | 1.53Å | 1.56Å | |
| CAS | OAZ | sing | 1.44Å | 1.46Å | |
| OAZ | CBA | sing | 1.44Å | 1.45Å | |
| CAU | CAV | sing | 1.51Å | 1.56Å | |
| CAV | OBB | doub | 1.21Å | 1.24Å | |
| CAV | OAW | sing | 1.34Å | 1.37Å | |
| OAW | CAX | sing | 1.45Å | 1.47Å | |
| CAX | CAY | sing | 1.53Å | 1.54Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAF | HAF | sing | 1.09Å | 1.10Å | |
| NAH | HAH | sing | 0.97Å | 1.00Å | |
| CAI | HAI1 | sing | 1.09Å | 1.10Å | |
| CAI | HAI2 | sing | 1.09Å | 1.10Å | |
| CAQ | HAQ | sing | 1.08Å | 1.08Å | |
| NAA | HAA1 | sing | 0.97Å | 1.00Å | |
| NAA | HAA2 | sing | 0.97Å | 1.00Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CBA | HBA1 | sing | 1.09Å | 1.10Å | |
| CBA | HBA2 | sing | 1.09Å | 1.10Å | |
| CAU | HAU1 | sing | 1.09Å | 1.10Å | |
| CAU | HAU2 | sing | 1.09Å | 1.10Å | |
| CAX | HAX1 | sing | 1.09Å | 1.10Å | |
| CAX | HAX2 | sing | 1.09Å | 1.10Å | |
| CAY | HAY1 | sing | 1.09Å | 1.10Å | |
| CAY | HAY2 | sing | 1.09Å | 1.10Å | |
| CAY | HAY3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAO | CAE | CAF | 59.8° | 60.0° |
| CAE | CAO | CAF | 60.1° | 60.0° |
| CAO | CAE | HAE1 | 131.0° | 117.5° |
| CAO | CAE | HAE2 | 136.1° | 117.5° |
| CAE | CAO | HAO1 | 130.8° | 117.5° |
| CAE | CAO | HAO2 | 136.0° | 117.5° |
| CAE | CAF | CAO | 60.0° | 60.0° |
| CAE | CAF | SAG | 114.7° | 117.5° |
| CAF | CAE | HAE1 | 131.0° | 117.5° |
| CAF | CAE | HAE2 | 136.1° | 117.5° |
| CAE | CAF | HAF | 136.5° | 117.5° |
| CAO | CAF | SAG | 118.1° | 117.5° |
| CAF | CAO | HAO1 | 130.8° | 117.5° |
| CAF | CAO | HAO2 | 135.9° | 117.5° |
| CAO | CAF | HAF | 133.7° | 117.5° |
| CAF | SAG | OAP | 109.1° | 110.5° |
| CAF | SAG | OAB | 111.0° | 110.6° |
| CAF | SAG | NAH | 110.9° | 104.4° |
| SAG | CAF | HAF | 94.2° | 115.6° |
| OAP | SAG | OAB | 106.2° | 121.1° |
| OAP | SAG | NAH | 112.1° | 104.3° |
| OAB | SAG | NAH | 107.5° | 104.3° |
| SAG | NAH | CAI | 117.8° | 120.0° |
| SAG | NAH | HAH | 106.8° | 120.0° |
| NAH | CAI | CAJ | 114.2° | 109.4° |
| CAI | NAH | HAH | 106.8° | 120.0° |
| NAH | CAI | HAI1 | 107.9° | 109.5° |
| NAH | CAI | HAI2 | 106.8° | 109.5° |
| CAI | CAJ | CAK | 177.2° | 180.0° |
| CAJ | CAI | HAI1 | 107.9° | 109.5° |
| CAJ | CAI | HAI2 | 106.9° | 109.5° |
| CAJ | CAK | CAL | 179.9° | 180.0° |
| CAK | CAL | CAQ | 121.1° | 121.0° |
| CAK | CAL | CAC | 120.8° | 120.9° |
| CAQ | CAL | CAC | 118.0° | 118.1° |
| CAL | CAQ | NAR | 121.9° | 119.1° |
| CAL | CAQ | HAQ | 119.0° | 120.4° |
| CAL | CAC | NAA | 119.3° | 120.5° |
| CAL | CAC | NAD | 120.8° | 118.9° |
| CAQ | NAR | CAM | 116.4° | 121.1° |
| CAQ | NAR | CAT | 119.3° | 119.5° |
| NAR | CAQ | HAQ | 119.1° | 120.5° |
| NAA | CAC | NAD | 120.0° | 120.6° |
| CAC | NAA | HAA1 | 109.7° | 120.0° |
| CAC | NAA | HAA2 | 125.2° | 120.0° |
| CAC | NAD | CAM | 123.0° | 120.8° |
| NAD | CAM | OAN | 117.8° | 119.0° |
| NAD | CAM | NAR | 119.9° | 122.1° |
| OAN | CAM | NAR | 122.3° | 119.0° |
| CAM | NAR | CAT | 124.3° | 119.5° |
| NAR | CAT | CAS | 112.9° | 113.8° |
| NAR | CAT | CBA | 113.0° | 113.8° |
| NAR | CAT | CAU | 118.9° | 113.0° |
| CAS | CAT | CBA | 84.4° | 85.8° |
| CAS | CAT | CAU | 113.3° | 113.9° |
| CAT | CAS | OAZ | 88.6° | 85.5° |
| CAT | CAS | HAS1 | 117.1° | 113.8° |
| CAT | CAS | HAS2 | 120.9° | 113.8° |
| CBA | CAT | CAU | 109.2° | 113.9° |
| CAT | CBA | OAZ | 89.5° | 85.5° |
| CAT | CBA | HBA1 | 116.7° | 113.9° |
| CAT | CBA | HBA2 | 120.4° | 113.8° |
| CAT | CAU | CAV | 115.7° | 109.5° |
| CAT | CAU | HAU1 | 107.4° | 109.4° |
| CAT | CAU | HAU2 | 106.0° | 109.5° |
| CAS | OAZ | CBA | 89.9° | 93.4° |
| OAZ | CAS | HAS1 | 117.1° | 113.9° |
| OAZ | CAS | HAS2 | 120.9° | 113.9° |
| OAZ | CBA | HBA1 | 116.8° | 113.9° |
| OAZ | CBA | HBA2 | 120.4° | 113.9° |
| CAU | CAV | OBB | 121.0° | 120.0° |
| CAU | CAV | OAW | 119.3° | 120.0° |
| CAV | CAU | HAU1 | 107.5° | 109.5° |
| CAV | CAU | HAU2 | 106.0° | 109.5° |
| OBB | CAV | OAW | 119.7° | 120.0° |
| CAV | OAW | CAX | 113.6° | 117.0° |
| OAW | CAX | CAY | 114.4° | 109.5° |
| OAW | CAX | HAX1 | 107.9° | 109.4° |
| OAW | CAX | HAX2 | 106.8° | 109.4° |
| CAY | CAX | HAX1 | 107.9° | 109.5° |
| CAY | CAX | HAX2 | 106.7° | 109.5° |
| CAX | CAY | HAY1 | 109.5° | 109.5° |
| CAX | CAY | HAY2 | 109.5° | 109.4° |
| CAX | CAY | HAY3 | 109.4° | 109.5° |
| HAE1 | CAE | HAE2 | 74.6° | 115.5° |
| HAO1 | CAO | HAO2 | 74.8° | 115.5° |
| HAI1 | CAI | HAI2 | 113.2° | 109.5° |
| HAA1 | NAA | HAA2 | 125.2° | 120.0° |
| HAS1 | CAS | HAS2 | 94.6° | 113.2° |
| HBA1 | CBA | HBA2 | 95.2° | 113.2° |
| HAU1 | CAU | HAU2 | 114.5° | 109.5° |
| HAX1 | CAX | HAX2 | 113.4° | 109.5° |
| HAY1 | CAY | HAY2 | 109.5° | 109.5° |
| HAY1 | CAY | HAY3 | 109.5° | 109.5° |
| HAY2 | CAY | HAY3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAO | CAE | CAF | HAE1 | 120.0° | 107.5° |
| CAO | CAE | CAF | HAE2 | 126.7° | 107.5° |
| CAE | CAO | CAF | HAO1 | 120.0° | 107.5° |
| CAE | CAO | CAF | HAO2 | 126.8° | 107.5° |
| CAO | CAE | CAF | SAG | 109.4° | 107.4° |
| CAO | CAE | HAE1 | HAE2 | 138.6° | 145.7° |
| CAE | CAO | HAO1 | HAO2 | 138.6° | 145.7° |
| CAO | CAE | CAF | HAF | 123.4° | 107.4° |
| CAE | CAF | SAG | HAF | 146.6° | 145.8° |
| CAE | CAF | SAG | OAP | 88.2° | 68.4° |
| CAE | CAF | SAG | OAB | 28.5° | 68.3° |
| CAE | CAF | SAG | NAH | 147.9° | 180.0° |
| CAF | CAE | HAE1 | HAE2 | 138.7° | 145.7° |
| CAO | CAF | SAG | HAF | 145.5° | 145.6° |
| CAO | CAF | SAG | OAP | 156.0° | 137.0° |
| CAO | CAF | SAG | OAB | 39.4° | 0.3° |
| CAO | CAF | SAG | NAH | 80.0° | 111.4° |
| CAF | CAO | HAO1 | HAO2 | 138.5° | 145.7° |
| CAF | SAG | OAP | OAB | 119.7° | 131.5° |
| CAF | SAG | OAP | NAH | 123.2° | 111.7° |
| CAF | SAG | OAB | NAH | 121.4° | 111.7° |
| CAF | SAG | NAH | CAI | 89.6° | 65.0° |
| SAG | CAF | CAE | HAE1 | 130.6° | 145.0° |
| SAG | CAF | CAE | HAE2 | 17.2° | 0.0° |
| SAG | CAF | CAO | HAO1 | 16.1° | 0.0° |
| SAG | CAF | CAO | HAO2 | 129.3° | 145.0° |
| CAF | SAG | NAH | HAH | 30.4° | 115.0° |
| OAP | SAG | OAB | NAH | 120.2° | 116.8° |
| OAP | SAG | NAH | CAI | 148.2° | 51.0° |
| OAP | SAG | CAF | HAF | 58.4° | 77.4° |
| OAP | SAG | NAH | HAH | 91.8° | 128.9° |
| OAB | SAG | NAH | CAI | 31.9° | 178.9° |
| OAB | SAG | CAF | HAF | 175.1° | 145.9° |
| OAB | SAG | NAH | HAH | 151.9° | 1.1° |
| SAG | NAH | CAI | HAH | 120.0° | 180.0° |
| SAG | NAH | CAI | CAJ | 82.4° | 165.0° |
| NAH | SAG | CAF | HAF | 65.5° | 34.2° |
| SAG | NAH | CAI | HAI1 | 157.6° | 75.0° |
| SAG | NAH | CAI | HAI2 | 35.5° | 45.0° |
| NAH | CAI | CAJ | HAI1 | 120.0° | 120.0° |
| NAH | CAI | CAJ | HAI2 | 117.9° | 120.0° |
| NAH | CAI | CAJ | CAK | 121.5° | 171.1° |
| NAH | CAI | HAI1 | HAI2 | 118.1° | 120.1° |
| CAI | CAJ | CAK | CAL | 115.3° | 74.2° |
| CAJ | CAI | NAH | HAH | 37.6° | 15.0° |
| CAJ | CAI | HAI1 | HAI2 | 118.1° | 120.0° |
| CAJ | CAK | CAL | CAQ | 105.2° | 65.3° |
| CAJ | CAK | CAL | CAC | 74.1° | 114.4° |
| CAK | CAJ | CAI | HAI1 | 118.5° | 51.1° |
| CAK | CAJ | CAI | HAI2 | 3.6° | 68.9° |
| CAK | CAL | CAQ | CAC | 179.3° | 179.8° |
| CAK | CAL | CAQ | NAR | 179.4° | 180.0° |
| CAK | CAL | CAC | NAA | 0.8° | 0.0° |
| CAK | CAL | CAC | NAD | 179.7° | 180.0° |
| CAK | CAL | CAQ | HAQ | 0.6° | 0.0° |
| CAL | CAQ | NAR | HAQ | 180.0° | 180.0° |
| CAQ | CAL | CAC | NAA | 179.8° | 179.8° |
| CAQ | CAL | CAC | NAD | 0.4° | 0.3° |
| CAL | CAQ | NAR | CAM | 0.2° | 0.0° |
| CAL | CAQ | NAR | CAT | 179.3° | 180.0° |
| CAC | CAL | CAQ | NAR | 0.1° | 0.2° |
| CAL | CAC | NAA | NAD | 179.4° | 180.0° |
| CAL | CAC | NAD | CAM | 0.8° | 0.0° |
| CAC | CAL | CAQ | HAQ | 179.9° | 179.8° |
| CAL | CAC | NAA | HAA1 | 180.0° | 0.0° |
| CAL | CAC | NAA | HAA2 | 0.0° | 180.0° |
| CAQ | NAR | CAM | NAD | 0.6° | 0.3° |
| CAQ | NAR | CAM | OAN | 179.3° | 180.0° |
| CAQ | NAR | CAM | CAT | 179.4° | 180.0° |
| CAQ | NAR | CAT | CAS | 64.8° | 120.6° |
| CAQ | NAR | CAT | CBA | 28.9° | 24.5° |
| CAQ | NAR | CAT | CAU | 158.9° | 107.5° |
| NAA | CAC | NAD | CAM | 179.7° | 179.9° |
| CAC | NAA | HAA1 | HAA2 | 180.0° | 180.0° |
| CAC | NAD | CAM | OAN | 178.9° | 180.0° |
| CAC | NAD | CAM | NAR | 0.9° | 0.3° |
| NAD | CAC | NAA | HAA1 | 0.6° | 179.9° |
| NAD | CAC | NAA | HAA2 | 179.4° | 0.0° |
| NAD | CAM | OAN | NAR | 179.8° | 179.7° |
| NAD | CAM | NAR | CAT | 178.9° | 179.7° |
| OAN | CAM | NAR | CAT | 1.3° | 0.0° |
| CAM | NAR | CAT | CAS | 114.6° | 59.4° |
| CAM | NAR | CAT | CBA | 151.7° | 155.5° |
| CAM | NAR | CAT | CAU | 21.7° | 72.5° |
| CAM | NAR | CAQ | HAQ | 179.8° | 180.0° |
| NAR | CAT | CAS | CBA | 112.7° | 114.2° |
| NAR | CAT | CAS | CAU | 138.7° | 131.5° |
| NAR | CAT | CBA | CAU | 134.7° | 131.5° |
| NAR | CAT | CAS | OAZ | 92.7° | 91.6° |
| NAR | CAT | CBA | OAZ | 92.4° | 91.6° |
| NAR | CAT | CAU | CAV | 101.1° | 63.8° |
| CAT | NAR | CAQ | HAQ | 0.7° | 0.0° |
| NAR | CAT | CAS | HAS1 | 147.3° | 154.2° |
| NAR | CAT | CAS | HAS2 | 33.1° | 22.5° |
| NAR | CAT | CBA | HBA1 | 27.6° | 22.5° |
| NAR | CAT | CBA | HBA2 | 142.0° | 154.2° |
| NAR | CAT | CAU | HAU1 | 138.9° | 56.2° |
| NAR | CAT | CAU | HAU2 | 16.1° | 176.1° |
| CAS | CAT | CBA | CAU | 112.8° | 114.3° |
| CAT | CAS | OAZ | HAS1 | 120.0° | 114.1° |
| CAT | CAS | OAZ | HAS2 | 125.8° | 114.1° |
| CAS | CAT | CBA | OAZ | 20.1° | 22.6° |
| CAS | CAT | CAU | CAV | 35.0° | 164.4° |
| CAT | CAS | HAS1 | HAS2 | 128.3° | 132.0° |
| CAS | CAT | CBA | HBA1 | 140.1° | 136.7° |
| CAS | CAT | CBA | HBA2 | 105.5° | 91.6° |
| CAS | CAT | CAU | HAU1 | 85.0° | 75.7° |
| CAS | CAT | CAU | HAU2 | 152.1° | 44.3° |
| CAT | CBA | OAZ | HBA1 | 120.0° | 114.1° |
| CAT | CBA | OAZ | HBA2 | 125.6° | 114.1° |
| CBA | CAT | CAU | CAV | 127.2° | 68.1° |
| CBA | CAT | CAS | HAS1 | 100.0° | 91.6° |
| CBA | CAT | CAS | HAS2 | 145.8° | 136.7° |
| CAT | CBA | HBA1 | HBA2 | 128.0° | 132.1° |
| CBA | CAT | CAU | HAU1 | 7.2° | 171.9° |
| CBA | CAT | CAU | HAU2 | 115.7° | 52.0° |
| CAU | CAT | CAS | OAZ | 128.6° | 136.9° |
| CAU | CAT | CBA | OAZ | 132.9° | 136.8° |
| CAT | CAU | CAV | HAU1 | 120.0° | 120.0° |
| CAT | CAU | CAV | HAU2 | 117.2° | 120.0° |
| CAT | CAU | CAV | OBB | 49.8° | 2.9° |
| CAT | CAU | CAV | OAW | 129.8° | 177.1° |
| CAU | CAT | CAS | HAS1 | 8.6° | 22.7° |
| CAU | CAT | CAS | HAS2 | 105.6° | 109.0° |
| CAU | CAT | CBA | HBA1 | 107.1° | 109.0° |
| CAU | CAT | CBA | HBA2 | 7.3° | 22.7° |
| CAT | CAU | HAU1 | HAU2 | 117.4° | 119.9° |
| OAZ | CAS | HAS1 | HAS2 | 128.3° | 132.1° |
| CAS | OAZ | CBA | HBA1 | 141.1° | 138.3° |
| CAS | OAZ | CBA | HBA2 | 104.4° | 89.9° |
| CBA | OAZ | CAS | HAS1 | 99.1° | 89.9° |
| CBA | OAZ | CAS | HAS2 | 146.7° | 138.3° |
| OAZ | CBA | HBA1 | HBA2 | 128.0° | 132.1° |
| CAU | CAV | OBB | OAW | 179.6° | 179.9° |
| CAU | CAV | OAW | CAX | 154.4° | 180.0° |
| CAV | CAU | HAU1 | HAU2 | 117.4° | 120.1° |
| OBB | CAV | OAW | CAX | 26.0° | 0.0° |
| OBB | CAV | CAU | HAU1 | 169.8° | 117.1° |
| OBB | CAV | CAU | HAU2 | 67.4° | 122.9° |
| CAV | OAW | CAX | CAY | 95.3° | 180.0° |
| OAW | CAV | CAU | HAU1 | 9.8° | 63.0° |
| OAW | CAV | CAU | HAU2 | 113.0° | 57.0° |
| CAV | OAW | CAX | HAX1 | 144.7° | 60.0° |
| CAV | OAW | CAX | HAX2 | 22.5° | 60.0° |
| OAW | CAX | CAY | HAX1 | 120.0° | 120.0° |
| OAW | CAX | CAY | HAX2 | 117.8° | 120.0° |
| OAW | CAX | HAX1 | HAX2 | 118.0° | 119.9° |
| OAW | CAX | CAY | HAY1 | 70.5° | 180.0° |
| OAW | CAX | CAY | HAY2 | 49.5° | 60.0° |
| OAW | CAX | CAY | HAY3 | 169.5° | 60.0° |
| CAY | CAX | HAX1 | HAX2 | 118.0° | 120.0° |
| CAX | CAY | HAY1 | HAY2 | 120.0° | 120.0° |
| CAX | CAY | HAY1 | HAY3 | 120.0° | 120.0° |
| CAX | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
| HAE1 | CAE | CAO | HAO1 | 120.0° | 145.0° |
| HAE1 | CAE | CAO | HAO2 | 6.7° | 0.0° |
| HAE1 | CAE | CAF | HAF | 3.4° | 0.1° |
| HAE2 | CAE | CAO | HAO1 | 6.7° | 0.1° |
| HAE2 | CAE | CAO | HAO2 | 106.6° | 145.0° |
| HAE2 | CAE | CAF | HAF | 109.9° | 145.1° |
| HAO1 | CAO | CAF | HAF | 112.6° | 145.0° |
| HAO2 | CAO | CAF | HAF | 0.6° | 0.0° |
| HAH | NAH | CAI | HAI1 | 82.4° | 105.0° |
| HAH | NAH | CAI | HAI2 | 155.5° | 135.0° |
| HAX1 | CAX | CAY | HAY1 | 169.5° | 60.0° |
| HAX1 | CAX | CAY | HAY2 | 70.5° | 180.0° |
| HAX1 | CAX | CAY | HAY3 | 49.5° | 60.0° |
| HAX2 | CAX | CAY | HAY1 | 47.3° | 60.0° |
| HAX2 | CAX | CAY | HAY2 | 167.3° | 60.0° |
| HAX2 | CAX | CAY | HAY3 | 72.7° | 180.0° |
| HAY1 | CAY | HAY2 | HAY3 | 120.0° | 120.0° |
