48Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAE | CAJ | doub | 1.21Å | 1.26Å | |
| OAA | CAJ | sing | 1.34Å | 1.26Å | |
| CAJ | CAH | sing | 1.51Å | 1.55Å | |
| CAH | CAI | sing | 1.53Å | 1.53Å | |
| CAI | CAN | sing | 1.53Å | 1.50Å | |
| OAD | CAM | sing | 1.43Å | 1.44Å | |
| OAC | CAL | doub | 1.21Å | 1.24Å | |
| CAM | CAN | sing | 1.53Å | 1.51Å | |
| CAM | CAK | sing | 1.51Å | 1.55Å | |
| CAN | CAL | sing | 1.51Å | 1.56Å | |
| CAL | OAG | sing | 1.34Å | 1.27Å | |
| CAK | OAF | doub | 1.21Å | 1.24Å | |
| CAK | OAB | sing | 1.34Å | 1.24Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| CAM | H2 | sing | 1.09Å | 1.10Å | |
| OAD | H3 | sing | 0.97Å | 0.95Å | |
| CAN | H4 | sing | 1.09Å | 1.10Å | |
| OAG | H5 | sing | 0.97Å | 0.95Å | |
| CAI | H6 | sing | 1.09Å | 1.10Å | |
| CAI | H7 | sing | 1.09Å | 1.10Å | |
| CAH | H8 | sing | 1.09Å | 1.10Å | |
| CAH | H9 | sing | 1.09Å | 1.10Å | |
| OAA | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAE | CAJ | OAA | 126.4° | 120.0° |
| OAE | CAJ | CAH | 117.1° | 120.0° |
| OAA | CAJ | CAH | 116.5° | 120.0° |
| CAJ | OAA | H10 | 109.5° | 117.0° |
| CAJ | CAH | CAI | 109.8° | 109.5° |
| CAJ | CAH | H8 | 109.4° | 109.4° |
| CAJ | CAH | H9 | 109.4° | 109.5° |
| CAH | CAI | CAN | 109.0° | 109.5° |
| CAH | CAI | H6 | 109.6° | 109.5° |
| CAH | CAI | H7 | 109.6° | 109.5° |
| CAI | CAH | H8 | 109.4° | 109.5° |
| CAI | CAH | H9 | 109.4° | 109.5° |
| CAI | CAN | CAM | 104.9° | 109.5° |
| CAI | CAN | CAL | 114.6° | 109.5° |
| CAI | CAN | H4 | 109.9° | 109.5° |
| CAN | CAI | H6 | 109.6° | 109.5° |
| CAN | CAI | H7 | 109.5° | 109.4° |
| OAD | CAM | CAN | 108.8° | 109.5° |
| OAD | CAM | CAK | 112.7° | 109.5° |
| OAD | CAM | H2 | 109.4° | 109.5° |
| CAM | OAD | H3 | 109.5° | 114.0° |
| OAC | CAL | CAN | 116.7° | 120.0° |
| OAC | CAL | OAG | 124.4° | 120.0° |
| CAN | CAM | CAK | 109.4° | 109.5° |
| CAM | CAN | CAL | 108.6° | 109.4° |
| CAN | CAM | H2 | 108.4° | 109.5° |
| CAM | CAN | H4 | 109.7° | 109.5° |
| CAM | CAK | OAF | 120.3° | 120.0° |
| CAM | CAK | OAB | 116.2° | 120.0° |
| CAK | CAM | H2 | 108.0° | 109.4° |
| CAN | CAL | OAG | 118.9° | 120.0° |
| CAL | CAN | H4 | 109.1° | 109.4° |
| CAL | OAG | H5 | 109.5° | 117.0° |
| OAF | CAK | OAB | 123.5° | 120.0° |
| CAK | OAB | H1 | 109.5° | 117.0° |
| H6 | CAI | H7 | 109.5° | 109.5° |
| H8 | CAH | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAE | CAJ | OAA | CAH | 178.8° | 179.9° |
| OAE | CAJ | CAH | CAI | 103.4° | 0.1° |
| OAE | CAJ | CAH | H8 | 16.6° | 120.1° |
| OAE | CAJ | CAH | H9 | 136.6° | 119.9° |
| OAE | CAJ | OAA | H10 | 0.0° | 0.0° |
| OAA | CAJ | CAH | CAI | 75.5° | 180.0° |
| OAA | CAJ | CAH | H8 | 164.4° | 60.0° |
| OAA | CAJ | CAH | H9 | 44.5° | 60.0° |
| CAJ | CAH | CAI | H8 | 120.1° | 120.0° |
| CAJ | CAH | CAI | H9 | 120.0° | 120.0° |
| CAJ | CAH | CAI | CAN | 179.8° | 180.0° |
| CAJ | CAH | CAI | H6 | 59.9° | 60.0° |
| CAJ | CAH | CAI | H7 | 60.3° | 60.0° |
| CAJ | CAH | H8 | H9 | 119.9° | 120.0° |
| CAH | CAJ | OAA | H10 | 178.8° | 180.0° |
| CAH | CAI | CAN | H6 | 119.9° | 120.0° |
| CAH | CAI | CAN | H7 | 119.9° | 120.0° |
| CAH | CAI | CAN | CAM | 177.0° | 175.0° |
| CAH | CAI | CAN | CAL | 64.1° | 65.0° |
| CAH | CAI | CAN | H4 | 59.1° | 55.0° |
| CAH | CAI | H6 | H7 | 120.2° | 120.1° |
| CAI | CAH | H8 | H9 | 119.9° | 120.0° |
| CAI | CAN | CAM | OAD | 62.9° | 65.0° |
| CAI | CAN | CAL | OAC | 17.6° | 120.0° |
| CAI | CAN | CAM | CAL | 122.9° | 120.0° |
| CAI | CAN | CAM | H4 | 118.0° | 120.0° |
| CAI | CAN | CAM | CAK | 173.6° | 175.0° |
| CAI | CAN | CAL | H4 | 123.6° | 120.0° |
| CAI | CAN | CAL | OAG | 163.0° | 60.0° |
| CAI | CAN | CAM | H2 | 55.9° | 55.0° |
| CAN | CAI | H6 | H7 | 120.2° | 120.0° |
| CAN | CAI | CAH | H8 | 60.2° | 60.0° |
| CAN | CAI | CAH | H9 | 59.7° | 60.0° |
| OAD | CAM | CAN | CAK | 123.5° | 120.0° |
| OAD | CAM | CAN | H2 | 118.9° | 120.0° |
| OAD | CAM | CAK | H2 | 121.0° | 120.0° |
| OAD | CAM | CAN | CAL | 60.0° | 55.0° |
| OAD | CAM | CAK | OAF | 7.4° | 5.0° |
| OAD | CAM | CAK | OAB | 171.4° | 175.0° |
| OAD | CAM | CAN | H4 | 179.1° | 175.0° |
| OAC | CAL | CAN | CAM | 99.3° | 0.0° |
| OAC | CAL | CAN | OAG | 179.4° | 179.9° |
| OAC | CAL | CAN | H4 | 141.2° | 120.0° |
| OAC | CAL | OAG | H5 | 0.0° | 0.1° |
| CAN | CAM | CAK | H2 | 117.9° | 120.0° |
| CAM | CAN | CAL | H4 | 119.4° | 120.0° |
| CAM | CAN | CAL | OAG | 80.1° | 180.0° |
| CAN | CAM | CAK | OAF | 128.5° | 115.0° |
| CAN | CAM | CAK | OAB | 50.3° | 65.0° |
| CAN | CAM | OAD | H3 | 124.8° | 59.9° |
| CAM | CAN | CAI | H6 | 57.0° | 65.0° |
| CAM | CAN | CAI | H7 | 63.1° | 55.0° |
| CAK | CAM | CAN | CAL | 63.5° | 65.0° |
| CAM | CAK | OAF | OAB | 178.7° | 180.0° |
| CAM | CAK | OAB | H1 | 178.7° | 179.9° |
| CAK | CAM | OAD | H3 | 3.3° | 60.1° |
| CAK | CAM | CAN | H4 | 55.6° | 54.9° |
| CAL | CAN | CAM | H2 | 178.9° | 175.0° |
| CAN | CAL | OAG | H5 | 179.3° | 180.0° |
| CAL | CAN | CAI | H6 | 176.0° | 55.0° |
| CAL | CAN | CAI | H7 | 55.9° | 175.0° |
| OAG | CAL | CAN | H4 | 39.4° | 60.1° |
| OAF | CAK | OAB | H1 | 0.0° | 0.1° |
| OAF | CAK | CAM | H2 | 113.6° | 125.0° |
| OAB | CAK | CAM | H2 | 67.6° | 55.0° |
| H2 | CAM | OAD | H3 | 117.0° | 179.9° |
| H2 | CAM | CAN | H4 | 62.1° | 65.0° |
| H4 | CAN | CAI | H6 | 60.8° | 175.0° |
| H4 | CAN | CAI | H7 | 179.1° | 65.0° |
| H6 | CAI | CAH | H8 | 179.9° | 180.0° |
| H6 | CAI | CAH | H9 | 60.2° | 60.0° |
| H7 | CAI | CAH | H8 | 59.7° | 60.0° |
| H7 | CAI | CAH | H9 | 179.7° | 180.0° |
