H8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAJ | sing | 1.53Å | 1.51Å | |
| CAI | CAH | sing | 1.53Å | 1.52Å | |
| CAL | CAK | sing | 1.53Å | 1.51Å | |
| CAK | CAJ | sing | 1.53Å | 1.52Å | |
| CAG | CAH | sing | 1.53Å | 1.52Å | |
| CAG | CAF | sing | 1.53Å | 1.52Å | |
| CAF | CAE | sing | 1.53Å | 1.52Å | |
| CAE | OAD | sing | 1.43Å | 1.42Å | |
| OAD | CAC | sing | 1.36Å | 1.42Å | |
| CAC | CAB | doub | 1.39Å | 1.39Å | Aromatic |
| CAC | CAN | sing | 1.39Å | 1.40Å | Aromatic |
| CAB | CAA | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAO | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAP | doub | 1.40Å | 1.39Å | Aromatic |
| CAO | CAP | sing | 1.40Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.48Å | 1.53Å | |
| CAQ | OAR | doub | 1.22Å | 1.22Å | |
| CAQ | N | sing | 1.35Å | 1.42Å | |
| N | CA | sing | 1.46Å | 1.43Å | |
| CG2 | CB | sing | 1.53Å | 1.51Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CB | CG1 | sing | 1.53Å | 1.52Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CG2 | H1 | sing | 1.09Å | 1.10Å | |
| CG2 | H2 | sing | 1.09Å | 1.10Å | |
| CG2 | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CG1 | H5 | sing | 1.09Å | 1.10Å | |
| CG1 | H6 | sing | 1.09Å | 1.10Å | |
| CG1 | H7 | sing | 1.09Å | 1.10Å | |
| CA | H8 | sing | 1.09Å | 1.10Å | |
| OXT | H9 | sing | 0.97Å | 0.95Å | |
| N | H10 | sing | 0.97Å | 1.00Å | |
| CAA | H11 | sing | 1.08Å | 1.08Å | |
| CAB | H12 | sing | 1.08Å | 1.08Å | |
| CAO | H13 | sing | 1.08Å | 1.08Å | |
| CAN | H14 | sing | 1.08Å | 1.08Å | |
| CAE | H15 | sing | 1.09Å | 1.10Å | |
| CAE | H16 | sing | 1.09Å | 1.10Å | |
| CAF | H17 | sing | 1.09Å | 1.10Å | |
| CAF | H18 | sing | 1.09Å | 1.10Å | |
| CAG | H19 | sing | 1.09Å | 1.10Å | |
| CAG | H20 | sing | 1.09Å | 1.10Å | |
| CAH | H21 | sing | 1.09Å | 1.10Å | |
| CAH | H22 | sing | 1.09Å | 1.10Å | |
| CAI | H23 | sing | 1.09Å | 1.10Å | |
| CAI | H24 | sing | 1.09Å | 1.10Å | |
| CAJ | H25 | sing | 1.09Å | 1.10Å | |
| CAJ | H26 | sing | 1.09Å | 1.10Å | |
| CAK | H27 | sing | 1.09Å | 1.10Å | |
| CAK | H28 | sing | 1.09Å | 1.10Å | |
| CAL | H29 | sing | 1.09Å | 1.10Å | |
| CAL | H30 | sing | 1.09Å | 1.10Å | |
| CAL | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAJ | CAI | CAH | 114.3° | 109.5° |
| CAI | CAJ | CAK | 113.5° | 109.4° |
| CAJ | CAI | H23 | 108.2° | 109.5° |
| CAJ | CAI | H24 | 108.3° | 109.5° |
| CAI | CAJ | H25 | 108.5° | 109.4° |
| CAI | CAJ | H26 | 108.5° | 109.5° |
| CAI | CAH | CAG | 110.9° | 109.5° |
| CAI | CAH | H21 | 109.1° | 109.4° |
| CAI | CAH | H22 | 109.1° | 109.5° |
| CAH | CAI | H23 | 108.3° | 109.4° |
| CAH | CAI | H24 | 108.2° | 109.5° |
| CAL | CAK | CAJ | 113.3° | 109.4° |
| CAL | CAK | H27 | 108.5° | 109.5° |
| CAL | CAK | H28 | 108.5° | 109.4° |
| CAK | CAL | H29 | 109.5° | 109.5° |
| CAK | CAL | H30 | 109.5° | 109.4° |
| CAK | CAL | H31 | 109.5° | 109.5° |
| CAK | CAJ | H25 | 108.4° | 109.5° |
| CAK | CAJ | H26 | 108.5° | 109.4° |
| CAJ | CAK | H27 | 108.5° | 109.5° |
| CAJ | CAK | H28 | 108.5° | 109.5° |
| CAH | CAG | CAF | 114.5° | 109.5° |
| CAH | CAG | H19 | 108.2° | 109.5° |
| CAH | CAG | H20 | 108.2° | 109.5° |
| CAG | CAH | H21 | 109.1° | 109.5° |
| CAG | CAH | H22 | 109.1° | 109.5° |
| CAG | CAF | CAE | 112.4° | 109.5° |
| CAG | CAF | H17 | 108.8° | 109.4° |
| CAG | CAF | H18 | 108.7° | 109.5° |
| CAF | CAG | H19 | 108.2° | 109.4° |
| CAF | CAG | H20 | 108.2° | 109.5° |
| CAF | CAE | OAD | 109.7° | 109.5° |
| CAF | CAE | H15 | 109.4° | 109.4° |
| CAF | CAE | H16 | 109.4° | 109.5° |
| CAE | CAF | H17 | 108.7° | 109.5° |
| CAE | CAF | H18 | 108.7° | 109.5° |
| CAE | OAD | CAC | 114.9° | 117.0° |
| OAD | CAE | H15 | 109.4° | 109.5° |
| OAD | CAE | H16 | 109.4° | 109.4° |
| OAD | CAC | CAB | 120.6° | 119.9° |
| OAD | CAC | CAN | 120.6° | 120.0° |
| CAB | CAC | CAN | 118.9° | 120.2° |
| CAC | CAB | CAA | 120.4° | 120.1° |
| CAC | CAB | H12 | 119.8° | 120.0° |
| CAC | CAN | CAO | 120.7° | 120.1° |
| CAC | CAN | H14 | 119.7° | 119.9° |
| CAB | CAA | CAP | 121.0° | 119.9° |
| CAB | CAA | H11 | 119.5° | 120.0° |
| CAA | CAB | H12 | 119.8° | 120.0° |
| CAN | CAO | CAP | 120.3° | 119.9° |
| CAN | CAO | H13 | 119.9° | 120.0° |
| CAO | CAN | H14 | 119.7° | 120.0° |
| CAA | CAP | CAO | 118.7° | 119.9° |
| CAA | CAP | CAQ | 118.8° | 120.1° |
| CAP | CAA | H11 | 119.5° | 120.1° |
| CAO | CAP | CAQ | 122.5° | 120.0° |
| CAP | CAO | H13 | 119.8° | 120.1° |
| CAP | CAQ | OAR | 121.8° | 120.0° |
| CAP | CAQ | N | 119.5° | 120.0° |
| OAR | CAQ | N | 118.8° | 120.0° |
| CAQ | N | CA | 119.3° | 120.0° |
| CAQ | N | H10 | 120.4° | 120.0° |
| N | CA | CB | 112.2° | 109.5° |
| N | CA | C | 117.0° | 109.5° |
| N | CA | H8 | 104.6° | 109.5° |
| CA | N | H10 | 120.4° | 120.0° |
| CG2 | CB | CA | 111.6° | 109.5° |
| CG2 | CB | CG1 | 111.7° | 109.5° |
| CB | CG2 | H1 | 109.5° | 109.4° |
| CB | CG2 | H2 | 109.5° | 109.5° |
| CB | CG2 | H3 | 109.5° | 109.5° |
| CG2 | CB | H4 | 106.8° | 109.5° |
| CB | CA | C | 113.6° | 109.4° |
| CA | CB | CG1 | 112.8° | 109.5° |
| CA | CB | H4 | 106.8° | 109.4° |
| CB | CA | H8 | 103.8° | 109.5° |
| CA | C | O | 122.6° | 120.0° |
| CA | C | OXT | 118.5° | 120.0° |
| C | CA | H8 | 103.7° | 109.4° |
| CG1 | CB | H4 | 106.8° | 109.4° |
| CB | CG1 | H5 | 109.5° | 109.4° |
| CB | CG1 | H6 | 109.4° | 109.5° |
| CB | CG1 | H7 | 109.5° | 109.5° |
| O | C | OXT | 118.9° | 120.0° |
| C | OXT | H9 | 109.5° | 117.0° |
| H1 | CG2 | H2 | 109.4° | 109.5° |
| H1 | CG2 | H3 | 109.5° | 109.5° |
| H2 | CG2 | H3 | 109.5° | 109.5° |
| H5 | CG1 | H6 | 109.5° | 109.5° |
| H5 | CG1 | H7 | 109.5° | 109.4° |
| H6 | CG1 | H7 | 109.5° | 109.5° |
| H15 | CAE | H16 | 109.4° | 109.5° |
| H17 | CAF | H18 | 109.5° | 109.4° |
| H19 | CAG | H20 | 109.5° | 109.5° |
| H21 | CAH | H22 | 109.5° | 109.5° |
| H23 | CAI | H24 | 109.5° | 109.4° |
| H25 | CAJ | H26 | 109.5° | 109.5° |
| H27 | CAK | H28 | 109.4° | 109.4° |
| H29 | CAL | H30 | 109.5° | 109.5° |
| H29 | CAL | H31 | 109.5° | 109.5° |
| H30 | CAL | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAJ | CAI | CAH | H23 | 120.7° | 120.0° |
| CAJ | CAI | CAH | H24 | 120.7° | 120.1° |
| CAI | CAJ | CAK | CAL | 47.6° | 180.0° |
| CAI | CAJ | CAK | H25 | 120.6° | 120.0° |
| CAI | CAJ | CAK | H26 | 120.6° | 120.0° |
| CAJ | CAI | CAH | CAG | 131.0° | 180.0° |
| CAJ | CAI | CAH | H21 | 108.8° | 60.0° |
| CAJ | CAI | CAH | H22 | 10.8° | 60.0° |
| CAJ | CAI | H23 | H24 | 117.8° | 120.1° |
| CAI | CAJ | H25 | H26 | 118.2° | 120.0° |
| CAI | CAJ | CAK | H27 | 73.0° | 60.0° |
| CAI | CAJ | CAK | H28 | 168.2° | 60.0° |
| CAH | CAI | CAJ | CAK | 143.2° | 180.0° |
| CAI | CAH | CAG | H21 | 120.2° | 120.0° |
| CAI | CAH | CAG | H22 | 120.2° | 120.0° |
| CAI | CAH | CAG | CAF | 169.0° | 180.0° |
| CAI | CAH | CAG | H19 | 70.3° | 60.0° |
| CAI | CAH | CAG | H20 | 48.2° | 60.0° |
| CAI | CAH | H21 | H22 | 119.3° | 120.0° |
| CAH | CAI | H23 | H24 | 117.8° | 119.9° |
| CAH | CAI | CAJ | H25 | 22.6° | 60.0° |
| CAH | CAI | CAJ | H26 | 96.2° | 60.0° |
| CAL | CAK | CAJ | H27 | 120.6° | 120.1° |
| CAL | CAK | CAJ | H28 | 120.6° | 120.0° |
| CAL | CAK | CAJ | H25 | 73.0° | 60.0° |
| CAL | CAK | CAJ | H26 | 168.2° | 60.1° |
| CAL | CAK | H27 | H28 | 118.2° | 120.0° |
| CAK | CAL | H29 | H30 | 120.0° | 120.0° |
| CAK | CAL | H29 | H31 | 120.0° | 120.0° |
| CAK | CAL | H30 | H31 | 120.0° | 119.9° |
| CAK | CAJ | CAI | H23 | 22.4° | 60.0° |
| CAK | CAJ | CAI | H24 | 96.1° | 60.0° |
| CAK | CAJ | H25 | H26 | 118.2° | 120.0° |
| CAJ | CAK | H27 | H28 | 118.3° | 120.0° |
| CAJ | CAK | CAL | H29 | 180.0° | 59.9° |
| CAJ | CAK | CAL | H30 | 60.0° | 60.1° |
| CAJ | CAK | CAL | H31 | 60.0° | 180.0° |
| CAH | CAG | CAF | H19 | 120.7° | 120.0° |
| CAH | CAG | CAF | H20 | 120.7° | 120.0° |
| CAH | CAG | CAF | CAE | 150.3° | 180.0° |
| CAH | CAG | CAF | H17 | 89.3° | 60.0° |
| CAH | CAG | CAF | H18 | 29.8° | 59.9° |
| CAH | CAG | H19 | H20 | 117.7° | 120.0° |
| CAG | CAH | H21 | H22 | 119.3° | 120.0° |
| CAG | CAH | CAI | H23 | 10.3° | 60.0° |
| CAG | CAH | CAI | H24 | 108.3° | 59.9° |
| CAG | CAF | CAE | H17 | 120.4° | 120.0° |
| CAG | CAF | CAE | H18 | 120.4° | 120.0° |
| CAG | CAF | CAE | OAD | 68.3° | 180.0° |
| CAG | CAF | CAE | H15 | 51.8° | 60.0° |
| CAG | CAF | CAE | H16 | 171.7° | 60.0° |
| CAG | CAF | H17 | H18 | 118.7° | 119.9° |
| CAF | CAG | H19 | H20 | 117.7° | 120.0° |
| CAF | CAG | CAH | H21 | 48.7° | 60.0° |
| CAF | CAG | CAH | H22 | 70.8° | 60.0° |
| CAF | CAE | OAD | H15 | 120.1° | 120.0° |
| CAF | CAE | OAD | H16 | 120.1° | 120.0° |
| CAF | CAE | OAD | CAC | 101.7° | 180.0° |
| CAF | CAE | H15 | H16 | 119.9° | 120.0° |
| CAE | CAF | H17 | H18 | 118.7° | 120.1° |
| CAE | CAF | CAG | H19 | 29.5° | 60.0° |
| CAE | CAF | CAG | H20 | 89.0° | 60.0° |
| CAE | OAD | CAC | CAB | 13.2° | 180.0° |
| CAE | OAD | CAC | CAN | 166.4° | 0.3° |
| OAD | CAE | H15 | H16 | 119.9° | 120.0° |
| OAD | CAE | CAF | H17 | 171.3° | 60.0° |
| OAD | CAE | CAF | H18 | 52.2° | 60.0° |
| OAD | CAC | CAB | CAN | 179.6° | 179.7° |
| OAD | CAC | CAB | CAA | 179.6° | 179.9° |
| OAD | CAC | CAN | CAO | 179.8° | 179.9° |
| OAD | CAC | CAB | H12 | 0.5° | 0.0° |
| OAD | CAC | CAN | H14 | 0.2° | 0.0° |
| CAC | OAD | CAE | H15 | 138.3° | 60.0° |
| CAC | OAD | CAE | H16 | 18.4° | 60.0° |
| CAC | CAB | CAA | H12 | 180.0° | 179.9° |
| CAB | CAC | CAN | CAO | 0.2° | 0.3° |
| CAC | CAB | CAA | CAP | 0.6° | 0.1° |
| CAC | CAB | CAA | H11 | 179.3° | 180.0° |
| CAB | CAC | CAN | H14 | 179.7° | 179.7° |
| CAN | CAC | CAB | CAA | 0.0° | 0.4° |
| CAC | CAN | CAO | H14 | 180.0° | 180.0° |
| CAC | CAN | CAO | CAP | 0.1° | 0.1° |
| CAN | CAC | CAB | H12 | 180.0° | 179.7° |
| CAC | CAN | CAO | H13 | 179.9° | 180.0° |
| CAB | CAA | CAP | H11 | 180.0° | 180.0° |
| CAB | CAA | CAP | CAO | 1.0° | 0.2° |
| CAB | CAA | CAP | CAQ | 179.3° | 180.0° |
| CAN | CAO | CAP | CAA | 0.8° | 0.2° |
| CAN | CAO | CAP | H13 | 180.0° | 179.9° |
| CAN | CAO | CAP | CAQ | 179.0° | 180.0° |
| CAA | CAP | CAO | CAQ | 178.3° | 179.8° |
| CAA | CAP | CAQ | OAR | 67.1° | 0.1° |
| CAA | CAP | CAQ | N | 111.3° | 180.0° |
| CAP | CAA | CAB | H12 | 179.3° | 180.0° |
| CAA | CAP | CAO | H13 | 179.2° | 179.7° |
| CAO | CAP | CAQ | OAR | 114.7° | 179.7° |
| CAO | CAP | CAQ | N | 67.0° | 0.2° |
| CAO | CAP | CAA | H11 | 179.0° | 179.8° |
| CAP | CAO | CAN | H14 | 179.9° | 179.9° |
| CAP | CAQ | OAR | N | 178.3° | 180.0° |
| CAP | CAQ | N | CA | 178.2° | 180.0° |
| CAP | CAQ | N | H10 | 1.8° | 0.0° |
| CAQ | CAP | CAA | H11 | 0.6° | 0.0° |
| CAQ | CAP | CAO | H13 | 1.0° | 0.1° |
| OAR | CAQ | N | CA | 0.1° | 0.0° |
| OAR | CAQ | N | H10 | 179.9° | 180.0° |
| CAQ | N | CA | H10 | 180.0° | 180.0° |
| CAQ | N | CA | CB | 129.6° | 155.0° |
| CAQ | N | CA | C | 96.4° | 85.0° |
| CAQ | N | CA | H8 | 17.7° | 35.0° |
| N | CA | CB | CG2 | 19.5° | 65.0° |
| N | CA | CB | C | 135.6° | 120.0° |
| N | CA | CB | H8 | 112.4° | 120.1° |
| N | CA | C | H8 | 114.6° | 120.0° |
| N | CA | CB | CG1 | 146.2° | 175.0° |
| N | CA | C | O | 41.0° | 0.0° |
| N | CA | C | OXT | 138.9° | 180.0° |
| N | CA | CB | H4 | 96.8° | 55.0° |
| CG2 | CB | CA | CG1 | 126.7° | 120.1° |
| CG2 | CB | CA | H4 | 116.3° | 120.0° |
| CG2 | CB | CA | C | 116.1° | 55.0° |
| CG2 | CB | CG1 | H4 | 116.4° | 120.0° |
| CB | CG2 | H1 | H2 | 120.0° | 120.0° |
| CB | CG2 | H1 | H3 | 120.0° | 120.0° |
| CB | CG2 | H2 | H3 | 120.0° | 120.0° |
| CG2 | CB | CG1 | H5 | 180.0° | 60.0° |
| CG2 | CB | CG1 | H6 | 60.0° | 180.0° |
| CG2 | CB | CG1 | H7 | 60.0° | 59.9° |
| CG2 | CB | CA | H8 | 131.9° | 175.0° |
| CB | CA | C | H8 | 112.0° | 120.0° |
| CA | CB | CG1 | H4 | 117.0° | 120.0° |
| CB | CA | C | O | 92.4° | 120.1° |
| CB | CA | C | OXT | 87.7° | 60.0° |
| CA | CB | CG2 | H1 | 180.0° | 60.1° |
| CA | CB | CG2 | H2 | 60.0° | 180.0° |
| CA | CB | CG2 | H3 | 60.0° | 60.0° |
| CA | CB | CG1 | H5 | 53.4° | 60.0° |
| CA | CB | CG1 | H6 | 173.4° | 60.0° |
| CA | CB | CG1 | H7 | 66.6° | 180.0° |
| CB | CA | N | H10 | 50.4° | 25.0° |
| C | CA | CB | CG1 | 10.6° | 65.0° |
| CA | C | O | OXT | 179.9° | 179.9° |
| C | CA | CB | H4 | 127.6° | 175.0° |
| CA | C | OXT | H9 | 179.9° | 180.0° |
| C | CA | N | H10 | 83.6° | 95.0° |
| CG1 | CB | CG2 | H1 | 52.7° | 60.0° |
| CG1 | CB | CG2 | H2 | 172.7° | 60.0° |
| CG1 | CB | CG2 | H3 | 67.4° | 179.9° |
| CB | CG1 | H5 | H6 | 120.0° | 120.0° |
| CB | CG1 | H5 | H7 | 120.0° | 120.0° |
| CB | CG1 | H6 | H7 | 120.0° | 120.0° |
| CG1 | CB | CA | H8 | 101.4° | 54.9° |
| O | C | CA | H8 | 155.6° | 120.0° |
| O | C | OXT | H9 | 0.0° | 0.1° |
| OXT | C | CA | H8 | 24.3° | 59.9° |
| H1 | CG2 | H2 | H3 | 120.0° | 120.1° |
| H1 | CG2 | CB | H4 | 63.7° | 180.0° |
| H2 | CG2 | CB | H4 | 56.3° | 60.0° |
| H3 | CG2 | CB | H4 | 176.3° | 60.0° |
| H4 | CB | CG1 | H5 | 63.6° | 180.0° |
| H4 | CB | CG1 | H6 | 56.4° | 60.0° |
| H4 | CB | CG1 | H7 | 176.4° | 60.0° |
| H4 | CB | CA | H8 | 15.6° | 65.1° |
| H5 | CG1 | H6 | H7 | 120.0° | 120.0° |
| H8 | CA | N | H10 | 162.3° | 145.0° |
| H11 | CAA | CAB | H12 | 0.7° | 0.0° |
| H13 | CAO | CAN | H14 | 0.1° | 0.0° |
| H15 | CAE | CAF | H17 | 68.7° | 180.0° |
| H15 | CAE | CAF | H18 | 172.2° | 60.0° |
| H16 | CAE | CAF | H17 | 51.2° | 60.0° |
| H16 | CAE | CAF | H18 | 67.9° | 180.0° |
| H17 | CAF | CAG | H19 | 150.0° | 180.0° |
| H17 | CAF | CAG | H20 | 31.4° | 60.0° |
| H18 | CAF | CAG | H19 | 90.9° | 60.1° |
| H18 | CAF | CAG | H20 | 150.6° | 179.9° |
| H19 | CAG | CAH | H21 | 169.5° | 180.0° |
| H19 | CAG | CAH | H22 | 49.9° | 60.0° |
| H20 | CAG | CAH | H21 | 72.0° | 60.0° |
| H20 | CAG | CAH | H22 | 168.4° | 180.0° |
| H21 | CAH | CAI | H23 | 130.5° | NaN° |
| H21 | CAH | CAI | H24 | 11.9° | 60.1° |
| H22 | CAH | CAI | H23 | 110.0° | 60.0° |
| H22 | CAH | CAI | H24 | 131.5° | 179.9° |
| H23 | CAI | CAJ | H25 | 98.1° | 180.0° |
| H23 | CAI | CAJ | H26 | 143.1° | 60.0° |
| H24 | CAI | CAJ | H25 | 143.3° | 60.0° |
| H24 | CAI | CAJ | H26 | 24.5° | 180.0° |
| H25 | CAJ | CAK | H27 | 166.4° | 179.9° |
| H25 | CAJ | CAK | H28 | 47.6° | 60.0° |
| H26 | CAJ | CAK | H27 | 47.6° | 60.0° |
| H26 | CAJ | CAK | H28 | 71.2° | 180.0° |
| H27 | CAK | CAL | H29 | 59.4° | 180.0° |
| H27 | CAK | CAL | H30 | 60.6° | 60.0° |
| H27 | CAK | CAL | H31 | 179.4° | 59.9° |
| H28 | CAK | CAL | H29 | 59.4° | 60.0° |
| H28 | CAK | CAL | H30 | 179.4° | 180.0° |
| H28 | CAK | CAL | H31 | 60.6° | 60.0° |
| H29 | CAL | H30 | H31 | 120.0° | 120.0° |
