9PY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAB | CAI | doub | 1.21Å | 1.25Å | |
| CAI | OAD | sing | 1.34Å | 1.25Å | |
| CAI | CAN | sing | 1.51Å | 1.56Å | |
| CAN | OAG | sing | 1.43Å | 1.47Å | |
| CAN | CAH | sing | 1.53Å | 1.54Å | |
| CAN | CAK | sing | 1.53Å | 1.60Å | |
| CAH | CAL | sing | 1.53Å | 1.51Å | |
| CAL | OAE | sing | 1.43Å | 1.41Å | |
| CAL | CAM | sing | 1.53Å | 1.52Å | |
| CAM | OAF | sing | 1.43Å | 1.41Å | |
| CAM | CAJ | sing | 1.51Å | 1.41Å | |
| CAJ | OAC | doub | 1.21Å | 1.24Å | |
| CAJ | CAK | sing | 1.51Å | 1.40Å | |
| CAK | CAA | sing | 1.53Å | 1.55Å | |
| OAD | HAD | sing | 0.97Å | 0.95Å | |
| OAG | HAG | sing | 0.97Å | 0.95Å | |
| CAH | HAH1 | sing | 1.09Å | 1.10Å | |
| CAH | HAH2 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAL | HAL | sing | 1.09Å | 1.10Å | |
| OAE | HAE | sing | 0.97Å | 0.95Å | |
| CAM | HAM | sing | 1.09Å | 1.10Å | |
| OAF | HAF | sing | 0.97Å | 0.95Å | |
| CAA | HAA1 | sing | 1.09Å | 1.10Å | |
| CAA | HAA2 | sing | 1.09Å | 1.10Å | |
| CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAB | CAI | OAD | 124.9° | 120.0° |
| OAB | CAI | CAN | 117.4° | 119.9° |
| OAD | CAI | CAN | 117.7° | 120.0° |
| CAI | OAD | HAD | 109.5° | 117.0° |
| CAI | CAN | OAG | 110.8° | 109.5° |
| CAI | CAN | CAH | 111.3° | 109.5° |
| CAI | CAN | CAK | 108.6° | 109.5° |
| OAG | CAN | CAH | 105.3° | 109.5° |
| OAG | CAN | CAK | 109.9° | 109.5° |
| CAN | OAG | HAG | 109.5° | 114.0° |
| CAH | CAN | CAK | 111.0° | 109.4° |
| CAN | CAH | CAL | 107.6° | 109.9° |
| CAN | CAH | HAH1 | 109.9° | 109.5° |
| CAN | CAH | HAH2 | 109.9° | 109.4° |
| CAN | CAK | CAJ | 112.8° | 108.5° |
| CAN | CAK | CAA | 110.7° | 109.6° |
| CAN | CAK | HAK | 106.4° | 109.6° |
| CAH | CAL | OAE | 109.7° | 109.5° |
| CAH | CAL | CAM | 109.7° | 109.4° |
| CAL | CAH | HAH1 | 109.9° | 109.4° |
| CAL | CAH | HAH2 | 109.9° | 109.4° |
| CAH | CAL | HAL | 109.6° | 109.5° |
| OAE | CAL | CAM | 107.4° | 109.5° |
| OAE | CAL | HAL | 110.9° | 109.5° |
| CAL | OAE | HAE | 109.5° | 114.0° |
| CAL | CAM | OAF | 105.7° | 109.6° |
| CAL | CAM | CAJ | 113.4° | 108.6° |
| CAM | CAL | HAL | 109.5° | 109.5° |
| CAL | CAM | HAM | 108.5° | 109.7° |
| OAF | CAM | CAJ | 109.2° | 109.6° |
| OAF | CAM | HAM | 109.9° | 109.6° |
| CAM | OAF | HAF | 109.5° | 114.0° |
| CAM | CAJ | OAC | 120.6° | 120.8° |
| CAM | CAJ | CAK | 119.1° | 118.3° |
| CAJ | CAM | HAM | 110.0° | 109.8° |
| OAC | CAJ | CAK | 120.2° | 120.9° |
| CAJ | CAK | CAA | 111.0° | 109.6° |
| CAJ | CAK | HAK | 108.7° | 109.7° |
| CAA | CAK | HAK | 106.9° | 109.8° |
| CAK | CAA | HAA1 | 109.5° | 109.4° |
| CAK | CAA | HAA2 | 109.5° | 109.5° |
| CAK | CAA | HAA3 | 109.5° | 109.5° |
| HAH1 | CAH | HAH2 | 109.5° | 109.3° |
| HAA1 | CAA | HAA2 | 109.4° | 109.5° |
| HAA1 | CAA | HAA3 | 109.5° | 109.5° |
| HAA2 | CAA | HAA3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAB | CAI | OAD | CAN | 178.5° | 179.7° |
| OAB | CAI | CAN | OAG | 132.7° | 145.0° |
| OAB | CAI | CAN | CAH | 15.9° | 95.0° |
| OAB | CAI | CAN | CAK | 106.6° | 25.0° |
| OAB | CAI | OAD | HAD | 0.0° | 0.0° |
| OAD | CAI | CAN | OAG | 45.9° | 35.3° |
| OAD | CAI | CAN | CAH | 162.7° | 84.7° |
| OAD | CAI | CAN | CAK | 74.8° | 155.3° |
| CAI | CAN | OAG | CAH | 120.5° | 120.0° |
| CAI | CAN | OAG | CAK | 120.0° | 120.1° |
| CAI | CAN | CAH | CAK | 121.1° | 120.0° |
| CAI | CAN | CAH | CAL | 176.6° | 176.4° |
| CAI | CAN | CAK | CAJ | 168.2° | 174.6° |
| CAI | CAN | CAK | CAA | 66.7° | 65.7° |
| CAN | CAI | OAD | HAD | 178.4° | 179.7° |
| CAI | CAN | OAG | HAG | 180.0° | 59.9° |
| CAI | CAN | CAH | HAH1 | 63.7° | 56.3° |
| CAI | CAN | CAH | HAH2 | 56.9° | 63.5° |
| CAI | CAN | CAK | HAK | 49.1° | 54.9° |
| OAG | CAN | CAH | CAK | 118.8° | 120.0° |
| OAG | CAN | CAH | CAL | 63.3° | 56.4° |
| OAG | CAN | CAK | CAJ | 70.5° | 65.3° |
| OAG | CAN | CAK | CAA | 54.6° | 54.4° |
| OAG | CAN | CAH | HAH1 | 56.4° | 63.8° |
| OAG | CAN | CAH | HAH2 | 177.0° | 176.5° |
| OAG | CAN | CAK | HAK | 170.4° | 174.9° |
| CAN | CAH | CAL | HAH1 | 119.7° | 120.2° |
| CAN | CAH | CAL | HAH2 | 119.7° | 120.1° |
| CAN | CAH | CAL | OAE | 178.6° | 176.4° |
| CAN | CAH | CAL | CAM | 60.9° | 63.6° |
| CAH | CAN | CAK | CAJ | 45.6° | 54.6° |
| CAH | CAN | CAK | CAA | 170.6° | 174.3° |
| CAH | CAN | OAG | HAG | 59.6° | 60.1° |
| CAN | CAH | HAH1 | HAH2 | 120.9° | 119.8° |
| CAH | CAN | CAK | HAK | 73.5° | 65.1° |
| CAN | CAH | CAL | HAL | 59.3° | 56.4° |
| CAK | CAN | CAH | CAL | 55.5° | 63.6° |
| CAN | CAK | CAJ | CAM | 41.9° | 51.4° |
| CAN | CAK | CAJ | OAC | 141.5° | 128.7° |
| CAN | CAK | CAJ | CAA | 124.9° | 119.7° |
| CAN | CAK | CAJ | HAK | 117.7° | 119.7° |
| CAN | CAK | CAA | HAK | 115.5° | 120.4° |
| CAK | CAN | OAG | HAG | 60.0° | 180.0° |
| CAK | CAN | CAH | HAH1 | 175.2° | 176.3° |
| CAK | CAN | CAH | HAH2 | 64.2° | 56.5° |
| CAN | CAK | CAA | HAA1 | 180.0° | 60.0° |
| CAN | CAK | CAA | HAA2 | 60.0° | 180.0° |
| CAN | CAK | CAA | HAA3 | 60.0° | 60.0° |
| CAH | CAL | OAE | CAM | 119.1° | 119.9° |
| CAH | CAL | OAE | HAL | 121.2° | 120.0° |
| CAH | CAL | CAM | HAL | 120.3° | 119.9° |
| CAH | CAL | CAM | OAF | 176.3° | 174.3° |
| CAH | CAL | CAM | CAJ | 56.7° | 54.6° |
| CAL | CAH | HAH1 | HAH2 | 120.9° | 119.8° |
| CAH | CAL | OAE | HAE | 180.0° | 180.0° |
| CAH | CAL | CAM | HAM | 65.8° | 65.3° |
| OAE | CAL | CAM | HAL | 120.6° | 120.1° |
| OAE | CAL | CAM | OAF | 64.5° | 65.7° |
| OAE | CAL | CAM | CAJ | 175.9° | 174.6° |
| OAE | CAL | CAH | HAH1 | 61.6° | 56.3° |
| OAE | CAL | CAH | HAH2 | 58.9° | 63.5° |
| OAE | CAL | CAM | HAM | 53.4° | 54.7° |
| CAL | CAM | OAF | CAJ | 122.3° | 119.0° |
| CAL | CAM | OAF | HAM | 116.9° | 120.4° |
| CAL | CAM | CAJ | HAM | 121.7° | 119.9° |
| CAL | CAM | CAJ | OAC | 135.4° | 128.7° |
| CAL | CAM | CAJ | CAK | 48.0° | 51.4° |
| CAM | CAL | CAH | HAH1 | 179.4° | 176.2° |
| CAM | CAL | CAH | HAH2 | 58.8° | 56.5° |
| CAM | CAL | OAE | HAE | 60.9° | 60.1° |
| CAL | CAM | OAF | HAF | 130.5° | 179.9° |
| OAF | CAM | CAJ | HAM | 120.7° | 120.4° |
| OAF | CAM | CAJ | OAC | 17.8° | 9.0° |
| OAF | CAM | CAJ | CAK | 165.6° | 171.1° |
| OAF | CAM | CAL | HAL | 56.1° | 54.4° |
| CAM | CAJ | OAC | CAK | 176.5° | 179.9° |
| CAM | CAJ | CAK | CAA | 166.8° | 171.0° |
| CAM | CAJ | CAK | HAK | 75.9° | 68.4° |
| CAJ | CAM | CAL | HAL | 63.5° | 65.3° |
| CAJ | CAM | OAF | HAF | 8.2° | 61.0° |
| OAC | CAJ | CAK | CAA | 16.6° | 9.0° |
| OAC | CAJ | CAK | HAK | 100.7° | 111.6° |
| OAC | CAJ | CAM | HAM | 102.9° | 111.5° |
| CAJ | CAK | CAA | HAK | 118.5° | 120.6° |
| CAK | CAJ | CAM | HAM | 73.7° | 68.5° |
| CAJ | CAK | CAA | HAA1 | 54.0° | 59.0° |
| CAJ | CAK | CAA | HAA2 | 173.9° | 61.0° |
| CAJ | CAK | CAA | HAA3 | 66.1° | 179.0° |
| CAK | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
| CAK | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
| CAK | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
| HAH1 | CAH | CAL | HAL | 60.4° | 63.8° |
| HAH2 | CAH | CAL | HAL | 179.0° | 176.5° |
| HAK | CAK | CAA | HAA1 | 64.5° | 179.6° |
| HAK | CAK | CAA | HAA2 | 55.5° | 59.6° |
| HAK | CAK | CAA | HAA3 | 175.5° | 60.4° |
| HAL | CAL | OAE | HAE | 58.7° | 60.0° |
| HAL | CAL | CAM | HAM | 173.9° | 174.8° |
| HAM | CAM | OAF | HAF | 112.6° | 59.5° |
| HAA1 | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
