E4H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAD | CAR | sing | 1.52Å | 1.54Å | |
| CAD | HAD1 | sing | 1.09Å | 1.10Å | |
| CAD | HAD2 | sing | 1.09Å | 1.10Å | |
| CAD | HAD3 | sing | 1.09Å | 1.10Å | |
| CAR | CAL | sing | 1.52Å | 1.54Å | |
| CAR | CAT | sing | 1.52Å | 1.56Å | |
| CAR | HAR | sing | 1.11Å | 1.10Å | |
| CAL | CAQ | sing | 1.51Å | 1.55Å | |
| CAL | HAL1 | sing | 1.10Å | 1.10Å | |
| CAL | HAL2 | sing | 1.10Å | 1.10Å | |
| CAQ | CAC | sing | 1.53Å | 1.53Å | |
| CAQ | CAN | sing | 1.50Å | 1.54Å | |
| CAQ | HAQ | sing | 1.12Å | 1.10Å | |
| CAC | HAC1 | sing | 1.09Å | 1.10Å | |
| CAC | HAC2 | sing | 1.09Å | 1.10Å | |
| CAC | HAC3 | sing | 1.09Å | 1.10Å | |
| CAN | OAF | doub | 1.22Å | 1.23Å | |
| CAN | CAI | sing | 1.46Å | 1.39Å | |
| CAI | CAJ | doub | 1.34Å | 1.40Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| CAJ | CAP | sing | 1.50Å | 1.54Å | |
| CAJ | HAJ | sing | 1.09Å | 1.08Å | |
| CAP | CAB | sing | 1.53Å | 1.55Å | |
| CAP | CAU | sing | 1.53Å | 1.56Å | |
| CAP | HAP | sing | 1.10Å | 1.10Å | |
| CAB | HAB1 | sing | 1.09Å | 1.10Å | |
| CAB | HAB2 | sing | 1.09Å | 1.10Å | |
| CAB | HAB3 | sing | 1.09Å | 1.10Å | |
| CAU | CAK | sing | 1.53Å | 1.56Å | |
| CAU | OAM | sing | 1.45Å | 1.47Å | |
| CAU | HAU | sing | 1.09Å | 1.10Å | |
| CAK | CAA | sing | 1.53Å | 1.53Å | |
| CAK | HAK1 | sing | 1.09Å | 1.10Å | |
| CAK | HAK2 | 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 | |
| OAM | CAO | sing | 1.34Å | 1.37Å | |
| CAO | OAG | doub | 1.21Å | 1.23Å | |
| CAO | CAS | sing | 1.51Å | 1.54Å | |
| CAS | CAE | sing | 1.53Å | 1.53Å | |
| CAS | CAT | sing | 1.53Å | 1.56Å | |
| CAS | HAS | sing | 1.08Å | 1.10Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| CAE | HAE3 | sing | 1.09Å | 1.10Å | |
| CAT | OAH | sing | 1.43Å | 1.44Å | |
| CAT | HAT | sing | 1.09Å | 1.10Å | |
| OAH | HOAH | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAR | CAD | HAD1 | 109.5° | 109.5° |
| CAR | CAD | HAD2 | 109.5° | 109.5° |
| CAR | CAD | HAD3 | 109.5° | 109.4° |
| CAD | CAR | CAL | 111.1° | 112.1° |
| CAD | CAR | CAT | 111.0° | 112.3° |
| CAD | CAR | HAR | 108.7° | 106.3° |
| HAD1 | CAD | HAD2 | 109.5° | 109.5° |
| HAD1 | CAD | HAD3 | 109.5° | 109.5° |
| HAD2 | CAD | HAD3 | 109.5° | 109.5° |
| CAL | CAR | CAT | 113.2° | 112.1° |
| CAL | CAR | HAR | 106.2° | 106.9° |
| CAR | CAL | CAQ | 111.3° | 116.6° |
| CAR | CAL | HAL1 | 108.9° | 108.2° |
| CAR | CAL | HAL2 | 108.5° | 108.3° |
| CAT | CAR | HAR | 106.3° | 106.6° |
| CAR | CAT | CAS | 116.0° | 111.8° |
| CAR | CAT | OAH | 109.5° | 109.1° |
| CAR | CAT | HAT | 104.6° | 111.1° |
| CAQ | CAL | HAL1 | 108.9° | 108.6° |
| CAQ | CAL | HAL2 | 108.5° | 109.0° |
| CAL | CAQ | CAC | 110.8° | 111.9° |
| CAL | CAQ | CAN | 112.3° | 114.3° |
| CAL | CAQ | HAQ | 106.9° | 106.5° |
| HAL1 | CAL | HAL2 | 110.9° | 105.6° |
| CAC | CAQ | CAN | 110.2° | 111.5° |
| CAC | CAQ | HAQ | 109.0° | 105.9° |
| CAQ | CAC | HAC1 | 109.5° | 109.5° |
| CAQ | CAC | HAC2 | 109.5° | 109.5° |
| CAQ | CAC | HAC3 | 109.4° | 109.4° |
| CAN | CAQ | HAQ | 107.5° | 106.1° |
| CAQ | CAN | OAF | 120.3° | 119.2° |
| CAQ | CAN | CAI | 120.6° | 122.5° |
| HAC1 | CAC | HAC2 | 109.4° | 109.5° |
| HAC1 | CAC | HAC3 | 109.5° | 109.5° |
| HAC2 | CAC | HAC3 | 109.5° | 109.4° |
| OAF | CAN | CAI | 119.1° | 118.3° |
| CAN | CAI | CAJ | 123.9° | 119.0° |
| CAN | CAI | HAI | 118.0° | 120.6° |
| CAJ | CAI | HAI | 118.0° | 120.3° |
| CAI | CAJ | CAP | 119.9° | 121.9° |
| CAI | CAJ | HAJ | 120.0° | 119.0° |
| CAP | CAJ | HAJ | 120.1° | 119.1° |
| CAJ | CAP | CAB | 112.6° | 111.1° |
| CAJ | CAP | CAU | 107.1° | 109.5° |
| CAJ | CAP | HAP | 110.4° | 108.9° |
| CAB | CAP | CAU | 113.4° | 110.0° |
| CAB | CAP | HAP | 103.8° | 108.9° |
| CAP | CAB | HAB1 | 109.5° | 109.5° |
| CAP | CAB | HAB2 | 109.5° | 109.5° |
| CAP | CAB | HAB3 | 109.5° | 109.4° |
| CAU | CAP | HAP | 109.5° | 108.5° |
| CAP | CAU | CAK | 118.3° | 109.5° |
| CAP | CAU | OAM | 109.4° | 109.8° |
| CAP | CAU | HAU | 102.7° | 109.1° |
| HAB1 | CAB | HAB2 | 109.5° | 109.5° |
| HAB1 | CAB | HAB3 | 109.4° | 109.4° |
| HAB2 | CAB | HAB3 | 109.5° | 109.5° |
| CAK | CAU | OAM | 107.9° | 109.6° |
| CAK | CAU | HAU | 104.4° | 109.2° |
| CAU | CAK | CAA | 112.2° | 109.4° |
| CAU | CAK | HAK1 | 108.6° | 109.5° |
| CAU | CAK | HAK2 | 108.0° | 109.5° |
| OAM | CAU | HAU | 114.2° | 109.8° |
| CAU | OAM | CAO | 118.9° | 121.2° |
| CAA | CAK | HAK1 | 108.6° | 109.5° |
| CAA | CAK | HAK2 | 108.0° | 109.5° |
| CAK | CAA | HAA1 | 109.5° | 109.5° |
| CAK | CAA | HAA2 | 109.4° | 109.5° |
| CAK | CAA | HAA3 | 109.5° | 109.5° |
| HAK1 | CAK | HAK2 | 111.6° | 109.5° |
| HAA1 | CAA | HAA2 | 109.5° | 109.4° |
| HAA1 | CAA | HAA3 | 109.4° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
| OAM | CAO | OAG | 121.5° | 120.6° |
| OAM | CAO | CAS | 116.9° | 120.1° |
| OAG | CAO | CAS | 121.6° | 119.3° |
| CAO | CAS | CAE | 108.5° | 108.7° |
| CAO | CAS | CAT | 114.3° | 108.6° |
| CAO | CAS | HAS | 107.7° | 110.1° |
| CAE | CAS | CAT | 111.6° | 108.9° |
| CAE | CAS | HAS | 110.5° | 108.8° |
| CAS | CAE | HAE1 | 109.5° | 109.4° |
| CAS | CAE | HAE2 | 109.5° | 109.5° |
| CAS | CAE | HAE3 | 109.5° | 109.5° |
| CAT | CAS | HAS | 104.2° | 111.5° |
| CAS | CAT | OAH | 108.7° | 108.4° |
| CAS | CAT | HAT | 105.5° | 108.1° |
| HAE1 | CAE | HAE2 | 109.4° | 109.5° |
| HAE1 | CAE | HAE3 | 109.4° | 109.5° |
| HAE2 | CAE | HAE3 | 109.5° | 109.5° |
| OAH | CAT | HAT | 112.6° | 108.3° |
| CAT | OAH | HOAH | 109.5° | 106.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAR | CAD | HAD1 | HAD2 | 120.0° | 120.1° |
| CAR | CAD | HAD1 | HAD3 | 120.0° | 119.9° |
| CAR | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| CAD | CAR | CAL | CAT | 125.7° | 127.3° |
| CAD | CAR | CAL | HAR | 118.0° | 116.2° |
| CAD | CAR | CAT | HAR | 118.0° | 116.1° |
| CAD | CAR | CAL | CAQ | 70.2° | 58.8° |
| CAD | CAR | CAL | HAL1 | 49.8° | 178.5° |
| CAD | CAR | CAL | HAL2 | 170.6° | 64.5° |
| CAD | CAR | CAT | CAS | 167.8° | 50.3° |
| CAD | CAR | CAT | OAH | 68.8° | 170.2° |
| CAD | CAR | CAT | HAT | 52.1° | 70.5° |
| HAD1 | CAD | HAD2 | HAD3 | 120.0° | 120.0° |
| HAD1 | CAD | CAR | CAL | 61.4° | 74.4° |
| HAD1 | CAD | CAR | CAT | 65.5° | 52.9° |
| HAD1 | CAD | CAR | HAR | 177.9° | 169.1° |
| HAD2 | CAD | CAR | CAL | 58.7° | 45.7° |
| HAD2 | CAD | CAR | CAT | 174.4° | 173.0° |
| HAD2 | CAD | CAR | HAR | 57.8° | 70.8° |
| HAD3 | CAD | CAR | CAL | 178.6° | 165.7° |
| HAD3 | CAD | CAR | CAT | 54.4° | 67.0° |
| HAD3 | CAD | CAR | HAR | 62.2° | 49.2° |
| CAL | CAR | CAT | HAR | 116.2° | 116.7° |
| CAR | CAL | CAQ | HAL1 | 120.0° | 122.5° |
| CAR | CAL | CAQ | HAL2 | 119.2° | 123.0° |
| CAR | CAL | HAL1 | HAL2 | 119.3° | 115.8° |
| CAR | CAL | CAQ | CAC | 168.7° | 89.4° |
| CAR | CAL | CAQ | CAN | 67.6° | 38.5° |
| CAR | CAL | CAQ | HAQ | 50.0° | 155.3° |
| CAL | CAR | CAT | CAS | 66.5° | 177.6° |
| CAL | CAR | CAT | OAH | 57.0° | 62.6° |
| CAL | CAR | CAT | HAT | 177.8° | 56.7° |
| CAT | CAR | CAL | CAQ | 164.1° | 68.5° |
| CAT | CAR | CAL | HAL1 | 75.9° | 54.1° |
| CAT | CAR | CAL | HAL2 | 44.9° | 168.2° |
| CAR | CAT | CAS | CAO | 43.3° | 117.1° |
| CAR | CAT | CAS | CAE | 166.8° | 124.6° |
| CAR | CAT | CAS | OAH | 123.8° | 120.3° |
| CAR | CAT | CAS | HAT | 115.2° | 122.5° |
| CAR | CAT | CAS | HAS | 73.9° | 4.4° |
| CAR | CAT | OAH | HAT | 115.9° | 121.0° |
| CAR | CAT | OAH | HOAH | 143.6° | 178.0° |
| HAR | CAR | CAL | CAQ | 47.8° | 175.0° |
| HAR | CAR | CAL | HAL1 | 167.8° | 62.4° |
| HAR | CAR | CAL | HAL2 | 71.4° | 51.7° |
| HAR | CAR | CAT | CAS | 49.8° | 65.8° |
| HAR | CAR | CAT | OAH | 173.2° | 54.1° |
| HAR | CAR | CAT | HAT | 65.9° | 173.4° |
| CAQ | CAL | HAL1 | HAL2 | 119.3° | 116.7° |
| CAL | CAQ | CAC | CAN | 124.9° | 129.4° |
| CAL | CAQ | CAC | HAQ | 117.3° | 115.6° |
| CAL | CAQ | CAN | HAQ | 117.2° | 117.0° |
| CAL | CAQ | CAC | HAC1 | 159.4° | 60.0° |
| CAL | CAQ | CAC | HAC2 | 39.4° | 180.0° |
| CAL | CAQ | CAC | HAC3 | 80.6° | 60.0° |
| CAL | CAQ | CAN | OAF | 145.7° | 88.9° |
| CAL | CAQ | CAN | CAI | 34.5° | 91.1° |
| HAL1 | CAL | CAQ | CAC | 48.7° | 148.1° |
| HAL1 | CAL | CAQ | CAN | 172.4° | 84.0° |
| HAL1 | CAL | CAQ | HAQ | 70.0° | 32.8° |
| HAL2 | CAL | CAQ | CAC | 72.1° | 33.6° |
| HAL2 | CAL | CAQ | CAN | 51.7° | 161.5° |
| HAL2 | CAL | CAQ | HAQ | 169.3° | 81.7° |
| CAC | CAQ | CAN | HAQ | 118.7° | 114.9° |
| CAQ | CAC | HAC1 | HAC2 | 120.0° | 120.1° |
| CAQ | CAC | HAC1 | HAC3 | 120.0° | 120.0° |
| CAQ | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| CAC | CAQ | CAN | OAF | 90.2° | 143.0° |
| CAC | CAQ | CAN | CAI | 89.5° | 37.0° |
| CAN | CAQ | CAC | HAC1 | 75.7° | 69.4° |
| CAN | CAQ | CAC | HAC2 | 164.3° | 50.6° |
| CAN | CAQ | CAC | HAC3 | 44.3° | 170.6° |
| CAQ | CAN | OAF | CAI | 179.7° | 180.0° |
| CAQ | CAN | CAI | CAJ | 179.9° | 177.5° |
| CAQ | CAN | CAI | HAI | 0.1° | 2.8° |
| HAQ | CAQ | CAC | HAC1 | 42.1° | 175.6° |
| HAQ | CAQ | CAC | HAC2 | 77.9° | 64.4° |
| HAQ | CAQ | CAC | HAC3 | 162.1° | 55.6° |
| HAQ | CAQ | CAN | OAF | 28.5° | 28.1° |
| HAQ | CAQ | CAN | CAI | 151.8° | 151.9° |
| HAC1 | CAC | HAC2 | HAC3 | 120.0° | 120.0° |
| OAF | CAN | CAI | CAJ | 0.3° | 2.5° |
| OAF | CAN | CAI | HAI | 179.7° | 177.2° |
| CAN | CAI | CAJ | HAI | 180.0° | 179.7° |
| CAN | CAI | CAJ | CAP | 178.3° | 178.3° |
| CAN | CAI | CAJ | HAJ | 1.7° | 1.4° |
| CAI | CAJ | CAP | HAJ | 180.0° | 179.7° |
| CAI | CAJ | CAP | CAB | 55.7° | 40.0° |
| CAI | CAJ | CAP | CAU | 69.7° | 81.7° |
| CAI | CAJ | CAP | HAP | 171.1° | 159.9° |
| HAI | CAI | CAJ | CAP | 1.7° | 1.9° |
| HAI | CAI | CAJ | HAJ | 178.3° | 178.3° |
| CAJ | CAP | CAB | CAU | 121.9° | 121.4° |
| CAJ | CAP | CAB | HAP | 119.4° | 119.9° |
| CAJ | CAP | CAU | HAP | 119.8° | 118.7° |
| CAJ | CAP | CAB | HAB1 | 57.8° | 59.9° |
| CAJ | CAP | CAB | HAB2 | 62.2° | 180.0° |
| CAJ | CAP | CAB | HAB3 | 177.8° | 60.0° |
| CAJ | CAP | CAU | CAK | 167.3° | 146.7° |
| CAJ | CAP | CAU | OAM | 68.6° | 26.4° |
| CAJ | CAP | CAU | HAU | 53.1° | 93.9° |
| HAJ | CAJ | CAP | CAB | 124.3° | 140.3° |
| HAJ | CAJ | CAP | CAU | 110.3° | 98.1° |
| HAJ | CAJ | CAP | HAP | 8.9° | 20.4° |
| CAB | CAP | CAU | HAP | 115.4° | 118.9° |
| CAP | CAB | HAB1 | HAB2 | 120.0° | 120.1° |
| CAP | CAB | HAB1 | HAB3 | 120.0° | 119.9° |
| CAP | CAB | HAB2 | HAB3 | 120.0° | 119.9° |
| CAB | CAP | CAU | CAK | 67.8° | 24.3° |
| CAB | CAP | CAU | OAM | 56.3° | 96.0° |
| CAB | CAP | CAU | HAU | 177.9° | 143.7° |
| CAU | CAP | CAB | HAB1 | 179.7° | 61.5° |
| CAU | CAP | CAB | HAB2 | 59.7° | 58.6° |
| CAU | CAP | CAB | HAB3 | 60.4° | 178.6° |
| CAP | CAU | CAK | OAM | 124.8° | 120.4° |
| CAP | CAU | CAK | HAU | 113.3° | 119.3° |
| CAP | CAU | OAM | HAU | 114.5° | 119.9° |
| CAP | CAU | CAK | CAA | 48.1° | 174.3° |
| CAP | CAU | CAK | HAK1 | 168.1° | 65.7° |
| CAP | CAU | CAK | HAK2 | 70.7° | 54.4° |
| CAP | CAU | OAM | CAO | 125.3° | 111.7° |
| HAP | CAP | CAB | HAB1 | 61.6° | 179.8° |
| HAP | CAP | CAB | HAB2 | 178.4° | 60.1° |
| HAP | CAP | CAB | HAB3 | 58.4° | 59.9° |
| HAP | CAP | CAU | CAK | 47.6° | 94.6° |
| HAP | CAP | CAU | OAM | 171.7° | 145.1° |
| HAP | CAP | CAU | HAU | 66.7° | 24.8° |
| HAB1 | CAB | HAB2 | HAB3 | 120.0° | 120.0° |
| CAK | CAU | OAM | HAU | 115.6° | 119.9° |
| CAU | CAK | CAA | HAK1 | 120.0° | 120.0° |
| CAU | CAK | CAA | HAK2 | 118.9° | 120.0° |
| CAU | CAK | HAK1 | HAK2 | 118.9° | 120.0° |
| CAU | CAK | CAA | HAA1 | 25.0° | 180.0° |
| CAU | CAK | CAA | HAA2 | 95.1° | 60.0° |
| CAU | CAK | CAA | HAA3 | 145.0° | 60.0° |
| CAK | CAU | OAM | CAO | 104.7° | 128.0° |
| OAM | CAU | CAK | CAA | 173.0° | 65.2° |
| OAM | CAU | CAK | HAK1 | 67.0° | 54.8° |
| OAM | CAU | CAK | HAK2 | 54.1° | 174.8° |
| CAU | OAM | CAO | OAG | 3.5° | 7.2° |
| CAU | OAM | CAO | CAS | 176.8° | 171.6° |
| HAU | CAU | CAK | CAA | 65.2° | 55.0° |
| HAU | CAU | CAK | HAK1 | 54.8° | 175.0° |
| HAU | CAU | CAK | HAK2 | 175.9° | 65.0° |
| HAU | CAU | OAM | CAO | 10.8° | 8.2° |
| CAA | CAK | HAK1 | HAK2 | 118.9° | 120.0° |
| CAK | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAK | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAK | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAK1 | CAK | CAA | HAA1 | 95.0° | 60.0° |
| HAK1 | CAK | CAA | HAA2 | 144.9° | 60.0° |
| HAK1 | CAK | CAA | HAA3 | 25.0° | 180.0° |
| HAK2 | CAK | CAA | HAA1 | 143.8° | 60.0° |
| HAK2 | CAK | CAA | HAA2 | 23.8° | 180.0° |
| HAK2 | CAK | CAA | HAA3 | 96.2° | 60.0° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| OAM | CAO | OAG | CAS | 179.6° | 178.8° |
| OAM | CAO | CAS | CAE | 99.3° | 173.8° |
| OAM | CAO | CAS | CAT | 135.5° | 67.8° |
| OAM | CAO | CAS | HAS | 20.3° | 54.6° |
| OAG | CAO | CAS | CAE | 81.1° | 7.5° |
| OAG | CAO | CAS | CAT | 44.1° | 111.0° |
| OAG | CAO | CAS | HAS | 159.3° | 126.6° |
| CAO | CAS | CAE | CAT | 126.8° | 118.2° |
| CAO | CAS | CAE | HAS | 117.8° | 120.0° |
| CAO | CAS | CAT | HAS | 117.2° | 121.6° |
| CAO | CAS | CAE | HAE1 | 96.7° | 60.0° |
| CAO | CAS | CAE | HAE2 | 143.3° | 180.0° |
| CAO | CAS | CAE | HAE3 | 23.3° | 60.0° |
| CAO | CAS | CAT | OAH | 167.1° | 122.6° |
| CAO | CAS | CAT | HAT | 71.9° | 5.4° |
| CAE | CAS | CAT | HAS | 119.2° | 120.2° |
| CAS | CAE | HAE1 | HAE2 | 120.0° | 119.9° |
| CAS | CAE | HAE1 | HAE3 | 120.0° | 120.0° |
| CAS | CAE | HAE2 | HAE3 | 120.0° | 120.0° |
| CAE | CAS | CAT | OAH | 69.3° | 4.3° |
| CAE | CAS | CAT | HAT | 51.6° | 112.9° |
| CAT | CAS | CAE | HAE1 | 136.5° | 178.3° |
| CAT | CAS | CAE | HAE2 | 16.5° | 61.8° |
| CAT | CAS | CAE | HAE3 | 103.5° | 58.2° |
| CAS | CAT | OAH | HAT | 116.4° | 117.0° |
| CAS | CAT | OAH | HOAH | 16.0° | 60.0° |
| HAS | CAS | CAE | HAE1 | 21.1° | 59.9° |
| HAS | CAS | CAE | HAE2 | 98.9° | 60.0° |
| HAS | CAS | CAE | HAE3 | 141.1° | 180.0° |
| HAS | CAS | CAT | OAH | 49.9° | 115.9° |
| HAS | CAS | CAT | HAT | 170.8° | 127.0° |
| HAE1 | CAE | HAE2 | HAE3 | 120.0° | 120.0° |
| HAT | CAT | OAH | HOAH | 100.5° | 57.0° |
