YRO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAO | doub | 1.22Å | 1.23Å | |
| CAO | NAJ | sing | 1.34Å | 1.40Å | |
| CAO | NAK | sing | 1.34Å | 1.39Å | |
| NAJ | CAN | sing | 1.38Å | 1.42Å | |
| NAK | CAP | sing | 1.35Å | 1.42Å | |
| CAL | OAG | doub | 1.21Å | 1.23Å | |
| CAL | CAN | sing | 1.48Å | 1.43Å | |
| CAL | OAD | sing | 1.35Å | 1.27Å | |
| CAN | CAM | doub | 1.36Å | 1.41Å | |
| CAP | CAM | sing | 1.47Å | 1.43Å | |
| CAP | OAF | doub | 1.22Å | 1.26Å | |
| CAM | CAH | sing | 1.51Å | 1.43Å | |
| CAH | CAI | sing | 1.53Å | 1.57Å | |
| CAA | CAQ | sing | 1.53Å | 1.51Å | |
| CAI | CAQ | sing | 1.53Å | 1.54Å | |
| CAB | CAQ | sing | 1.53Å | 1.50Å | |
| CAQ | CAC | sing | 1.53Å | 1.52Å | |
| OAD | H1 | sing | 0.97Å | 0.95Å | |
| NAK | H2 | sing | 0.97Å | 1.00Å | |
| CAH | H4 | sing | 1.09Å | 1.10Å | |
| CAH | H5 | sing | 1.09Å | 1.10Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAB | H8 | sing | 1.09Å | 1.10Å | |
| CAB | H9 | sing | 1.09Å | 1.10Å | |
| CAB | H10 | sing | 1.09Å | 1.10Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| NAJ | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAO | NAJ | 120.5° | 119.1° |
| OAE | CAO | NAK | 121.9° | 119.1° |
| NAJ | CAO | NAK | 117.4° | 121.8° |
| CAO | NAJ | CAN | 119.1° | 121.2° |
| CAO | NAJ | H17 | 120.5° | 119.5° |
| CAO | NAK | CAP | 125.3° | 120.4° |
| CAO | NAK | H2 | 117.4° | 119.8° |
| NAJ | CAN | CAL | 112.8° | 120.3° |
| NAJ | CAN | CAM | 123.3° | 119.4° |
| CAN | NAJ | H17 | 120.4° | 119.4° |
| NAK | CAP | CAM | 117.2° | 118.9° |
| NAK | CAP | OAF | 118.7° | 120.6° |
| CAP | NAK | H2 | 117.4° | 119.7° |
| OAG | CAL | CAN | 124.1° | 120.0° |
| OAG | CAL | OAD | 118.7° | 120.0° |
| CAN | CAL | OAD | 117.1° | 120.0° |
| CAL | CAN | CAM | 123.3° | 120.3° |
| CAL | OAD | H1 | 109.5° | 117.0° |
| CAN | CAM | CAP | 117.6° | 118.4° |
| CAN | CAM | CAH | 122.8° | 120.8° |
| CAM | CAP | OAF | 124.0° | 120.6° |
| CAP | CAM | CAH | 119.6° | 120.8° |
| CAM | CAH | CAI | 114.8° | 109.5° |
| CAM | CAH | H4 | 108.1° | 109.5° |
| CAM | CAH | H5 | 108.1° | 109.5° |
| CAH | CAI | CAQ | 118.0° | 109.5° |
| CAI | CAH | H4 | 108.1° | 109.5° |
| CAI | CAH | H5 | 108.1° | 109.4° |
| CAH | CAI | H6 | 107.3° | 109.5° |
| CAH | CAI | H7 | 107.3° | 109.4° |
| CAA | CAQ | CAI | 109.1° | 109.4° |
| CAA | CAQ | CAB | 112.9° | 109.5° |
| CAA | CAQ | CAC | 106.3° | 109.5° |
| CAQ | CAA | H14 | 109.5° | 109.5° |
| CAQ | CAA | H15 | 109.4° | 109.4° |
| CAQ | CAA | H16 | 109.5° | 109.5° |
| CAI | CAQ | CAB | 115.9° | 109.5° |
| CAI | CAQ | CAC | 108.5° | 109.5° |
| CAQ | CAI | H6 | 107.3° | 109.5° |
| CAQ | CAI | H7 | 107.3° | 109.5° |
| CAB | CAQ | CAC | 103.4° | 109.5° |
| CAQ | CAB | H8 | 109.5° | 109.4° |
| CAQ | CAB | H9 | 109.4° | 109.5° |
| CAQ | CAB | H10 | 109.5° | 109.4° |
| CAQ | CAC | H11 | 109.5° | 109.5° |
| CAQ | CAC | H12 | 109.5° | 109.4° |
| CAQ | CAC | H13 | 109.5° | 109.5° |
| H4 | CAH | H5 | 109.5° | 109.5° |
| H6 | CAI | H7 | 109.5° | 109.5° |
| H8 | CAB | H9 | 109.4° | 109.5° |
| H8 | CAB | H10 | 109.5° | 109.5° |
| H9 | CAB | H10 | 109.5° | 109.5° |
| H11 | CAC | H12 | 109.5° | 109.4° |
| H11 | CAC | H13 | 109.4° | 109.5° |
| H12 | CAC | H13 | 109.5° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H14 | CAA | H16 | 109.4° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAO | NAJ | NAK | 175.2° | 179.9° |
| OAE | CAO | NAJ | CAN | 177.9° | 180.0° |
| OAE | CAO | NAK | CAP | 175.2° | 180.0° |
| OAE | CAO | NAK | H2 | 4.8° | 0.1° |
| OAE | CAO | NAJ | H17 | 2.1° | 0.0° |
| CAO | NAJ | CAN | H17 | 180.0° | 180.0° |
| NAJ | CAO | NAK | CAP | 0.0° | 0.1° |
| CAO | NAJ | CAN | CAL | 176.2° | 180.0° |
| CAO | NAJ | CAN | CAM | 4.6° | 0.3° |
| NAJ | CAO | NAK | H2 | 179.9° | 180.0° |
| NAK | CAO | NAJ | CAN | 2.6° | 0.1° |
| CAO | NAK | CAP | H2 | 180.0° | 179.9° |
| CAO | NAK | CAP | CAM | 0.7° | 0.3° |
| CAO | NAK | CAP | OAF | 178.7° | 180.0° |
| NAK | CAO | NAJ | H17 | 177.4° | 179.9° |
| NAJ | CAN | CAL | OAG | 134.2° | 174.0° |
| NAJ | CAN | CAL | CAM | 171.6° | 179.7° |
| NAJ | CAN | CAL | OAD | 50.2° | 6.0° |
| NAJ | CAN | CAM | CAP | 3.8° | 0.5° |
| NAJ | CAN | CAM | CAH | 178.6° | 179.7° |
| NAK | CAP | CAM | CAN | 1.1° | 0.5° |
| NAK | CAP | CAM | OAF | 179.4° | 179.7° |
| NAK | CAP | CAM | CAH | 178.8° | 179.7° |
| OAG | CAL | CAN | OAD | 175.6° | 180.0° |
| OAG | CAL | CAN | CAM | 54.2° | 6.3° |
| OAG | CAL | OAD | H1 | 0.0° | 0.0° |
| CAL | CAN | CAM | CAP | 174.5° | 179.8° |
| CAL | CAN | CAM | CAH | 7.9° | 0.0° |
| CAN | CAL | OAD | H1 | 175.8° | 180.0° |
| CAL | CAN | NAJ | H17 | 3.8° | 0.1° |
| OAD | CAL | CAN | CAM | 121.4° | 173.7° |
| CAN | CAM | CAP | CAH | 177.7° | 179.8° |
| CAN | CAM | CAP | OAF | 179.5° | 179.8° |
| CAN | CAM | CAH | CAI | 114.9° | 91.5° |
| CAN | CAM | CAH | H4 | 5.9° | 148.6° |
| CAN | CAM | CAH | H5 | 124.4° | 28.5° |
| CAM | CAN | NAJ | H17 | 175.4° | 179.7° |
| CAP | CAM | CAH | CAI | 67.6° | 88.4° |
| CAM | CAP | NAK | H2 | 179.3° | 179.8° |
| CAP | CAM | CAH | H4 | 171.7° | 31.6° |
| CAP | CAM | CAH | H5 | 53.2° | 151.7° |
| OAF | CAP | CAM | CAH | 1.8° | 0.0° |
| OAF | CAP | NAK | H2 | 1.3° | 0.1° |
| CAM | CAH | CAI | H4 | 120.8° | 120.0° |
| CAM | CAH | CAI | H5 | 120.8° | 120.0° |
| CAM | CAH | CAI | CAQ | 56.1° | 180.0° |
| CAM | CAH | H4 | H5 | 117.6° | 120.1° |
| CAM | CAH | CAI | H6 | 177.3° | 59.9° |
| CAM | CAH | CAI | H7 | 65.1° | 60.0° |
| CAH | CAI | CAQ | CAA | 71.5° | 180.0° |
| CAH | CAI | CAQ | H6 | 121.2° | 120.0° |
| CAH | CAI | CAQ | H7 | 121.2° | 119.9° |
| CAH | CAI | CAQ | CAB | 57.3° | 60.0° |
| CAH | CAI | CAQ | CAC | 173.1° | 60.0° |
| CAI | CAH | H4 | H5 | 117.6° | 119.9° |
| CAH | CAI | H6 | H7 | 116.1° | 119.9° |
| CAA | CAQ | CAI | CAB | 128.7° | 120.0° |
| CAA | CAQ | CAI | CAC | 115.5° | 120.0° |
| CAA | CAQ | CAB | CAC | 114.5° | 120.1° |
| CAA | CAQ | CAI | H6 | 167.3° | 60.0° |
| CAA | CAQ | CAI | H7 | 49.8° | 60.0° |
| CAA | CAQ | CAB | H8 | 180.0° | 180.0° |
| CAA | CAQ | CAB | H9 | 60.0° | 60.0° |
| CAA | CAQ | CAB | H10 | 60.0° | 60.0° |
| CAA | CAQ | CAC | H11 | 180.0° | 60.0° |
| CAA | CAQ | CAC | H12 | 60.0° | 60.0° |
| CAA | CAQ | CAC | H13 | 60.0° | 180.0° |
| CAQ | CAA | H14 | H15 | 120.0° | 120.0° |
| CAQ | CAA | H14 | H16 | 120.0° | 120.0° |
| CAQ | CAA | H15 | H16 | 120.0° | 119.9° |
| CAI | CAQ | CAB | CAC | 118.6° | 120.0° |
| CAQ | CAI | CAH | H4 | 64.7° | 60.0° |
| CAQ | CAI | CAH | H5 | 176.8° | 60.0° |
| CAQ | CAI | H6 | H7 | 116.1° | 120.0° |
| CAI | CAQ | CAB | H8 | 53.1° | 60.0° |
| CAI | CAQ | CAB | H9 | 173.1° | 180.0° |
| CAI | CAQ | CAB | H10 | 66.9° | 60.0° |
| CAI | CAQ | CAC | H11 | 62.7° | 60.0° |
| CAI | CAQ | CAC | H12 | 57.3° | 180.0° |
| CAI | CAQ | CAC | H13 | 177.3° | 60.0° |
| CAI | CAQ | CAA | H14 | 180.0° | 60.0° |
| CAI | CAQ | CAA | H15 | 60.0° | 179.9° |
| CAI | CAQ | CAA | H16 | 60.0° | 60.0° |
| CAB | CAQ | CAI | H6 | 63.9° | 180.0° |
| CAB | CAQ | CAI | H7 | 178.5° | 59.9° |
| CAQ | CAB | H8 | H9 | 120.0° | 120.0° |
| CAQ | CAB | H8 | H10 | 120.0° | 120.0° |
| CAQ | CAB | H9 | H10 | 120.0° | 120.0° |
| CAB | CAQ | CAC | H11 | 60.9° | 180.0° |
| CAB | CAQ | CAC | H12 | 179.1° | 60.0° |
| CAB | CAQ | CAC | H13 | 59.1° | 60.0° |
| CAB | CAQ | CAA | H14 | 49.6° | 60.0° |
| CAB | CAQ | CAA | H15 | 169.6° | 60.1° |
| CAB | CAQ | CAA | H16 | 70.4° | 180.0° |
| CAC | CAQ | CAI | H6 | 51.9° | 60.0° |
| CAC | CAQ | CAI | H7 | 65.7° | 179.9° |
| CAC | CAQ | CAB | H8 | 65.5° | 60.0° |
| CAC | CAQ | CAB | H9 | 54.5° | 60.0° |
| CAC | CAQ | CAB | H10 | 174.5° | 180.0° |
| CAQ | CAC | H11 | H12 | 120.0° | 119.9° |
| CAQ | CAC | H11 | H13 | 120.0° | 120.0° |
| CAQ | CAC | H12 | H13 | 120.0° | 120.0° |
| CAC | CAQ | CAA | H14 | 63.1° | 180.0° |
| CAC | CAQ | CAA | H15 | 56.9° | 60.0° |
| CAC | CAQ | CAA | H16 | 176.9° | 59.9° |
| H4 | CAH | CAI | H6 | 56.5° | 180.0° |
| H4 | CAH | CAI | H7 | 174.1° | 60.0° |
| H5 | CAH | CAI | H6 | 61.9° | 60.1° |
| H5 | CAH | CAI | H7 | 55.6° | 180.0° |
| H8 | CAB | H9 | H10 | 120.0° | 120.1° |
| H11 | CAC | H12 | H13 | 119.9° | 120.0° |
| H14 | CAA | H15 | H16 | 119.9° | 120.0° |
