9R9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAP | CAJ | sing | 1.43Å | 1.44Å | |
| CAL | CAM | sing | 1.53Å | 1.52Å | |
| CAL | CAK | sing | 1.53Å | 1.52Å | |
| CAN | CAM | sing | 1.53Å | 1.56Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAK | CAJ | sing | 1.53Å | 1.56Å | |
| CAJ | CAO | sing | 1.53Å | 1.54Å | |
| CAJ | CAF | sing | 1.51Å | 1.47Å | |
| CAA | CAF | sing | 1.36Å | 1.41Å | Aromatic |
| CAA | CAB | doub | 1.39Å | 1.40Å | Aromatic |
| CAF | CAE | doub | 1.40Å | 1.39Å | Aromatic |
| CLA | CAB | sing | 1.74Å | 1.65Å | |
| CAB | CAC | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAI | sing | 1.46Å | 1.36Å | Aromatic |
| CAE | CAD | sing | 1.41Å | 1.37Å | Aromatic |
| CAI | NAH | doub | 1.30Å | 1.33Å | Aromatic |
| CAC | CAD | doub | 1.39Å | 1.33Å | Aromatic |
| CAD | NAG | sing | 1.37Å | 1.34Å | Aromatic |
| NAH | NAG | sing | 1.40Å | 1.34Å | Aromatic |
| CAK | H1 | sing | 1.09Å | 1.10Å | |
| CAK | H2 | sing | 1.09Å | 1.10Å | |
| CAL | H3 | sing | 1.09Å | 1.10Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAN | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAO | H10 | sing | 1.09Å | 1.10Å | |
| OAP | H11 | sing | 0.97Å | 0.95Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAC | H14 | sing | 1.08Å | 1.08Å | |
| CAA | H15 | sing | 1.08Å | 1.08Å | |
| NAG | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAP | CAJ | CAK | 107.7° | 109.4° |
| OAP | CAJ | CAO | 105.1° | 109.5° |
| OAP | CAJ | CAF | 110.6° | 109.4° |
| CAJ | OAP | H11 | 109.5° | 114.0° |
| CAM | CAL | CAK | 108.9° | 109.5° |
| CAL | CAM | CAN | 109.0° | 109.5° |
| CAM | CAL | H3 | 109.6° | 109.5° |
| CAM | CAL | H4 | 109.6° | 109.4° |
| CAL | CAM | H5 | 109.6° | 109.4° |
| CAL | CAM | H6 | 109.6° | 109.5° |
| CAL | CAK | CAJ | 112.4° | 109.5° |
| CAL | CAK | H1 | 108.8° | 109.4° |
| CAL | CAK | H2 | 108.7° | 109.5° |
| CAK | CAL | H3 | 109.6° | 109.5° |
| CAK | CAL | H4 | 109.6° | 109.5° |
| CAM | CAN | CAO | 113.6° | 109.5° |
| CAN | CAM | H5 | 109.6° | 109.5° |
| CAN | CAM | H6 | 109.6° | 109.5° |
| CAM | CAN | H7 | 108.4° | 109.4° |
| CAM | CAN | H8 | 108.4° | 109.5° |
| CAN | CAO | CAJ | 113.2° | 109.5° |
| CAO | CAN | H7 | 108.4° | 109.5° |
| CAO | CAN | H8 | 108.5° | 109.5° |
| CAN | CAO | H9 | 108.5° | 109.5° |
| CAN | CAO | H10 | 108.5° | 109.4° |
| CAK | CAJ | CAO | 112.2° | 109.5° |
| CAK | CAJ | CAF | 110.4° | 109.5° |
| CAJ | CAK | H1 | 108.7° | 109.5° |
| CAJ | CAK | H2 | 108.7° | 109.5° |
| CAO | CAJ | CAF | 110.6° | 109.5° |
| CAJ | CAO | H9 | 108.5° | 109.5° |
| CAJ | CAO | H10 | 108.5° | 109.5° |
| CAJ | CAF | CAA | 120.5° | 120.1° |
| CAJ | CAF | CAE | 122.3° | 120.0° |
| CAF | CAA | CAB | 118.0° | 120.6° |
| CAA | CAF | CAE | 117.2° | 119.8° |
| CAF | CAA | H15 | 121.0° | 119.7° |
| CAA | CAB | CLA | 121.3° | 119.6° |
| CAA | CAB | CAC | 122.4° | 120.6° |
| CAB | CAA | H15 | 121.0° | 119.7° |
| CAF | CAE | CAI | 131.6° | 134.0° |
| CAF | CAE | CAD | 122.9° | 119.7° |
| CLA | CAB | CAC | 116.3° | 119.7° |
| CAB | CAC | CAD | 118.2° | 119.7° |
| CAB | CAC | H14 | 120.9° | 120.1° |
| CAI | CAE | CAD | 105.5° | 106.3° |
| CAE | CAI | NAH | 109.8° | 107.8° |
| CAE | CAI | H12 | 125.1° | 126.1° |
| CAE | CAD | CAC | 121.4° | 119.4° |
| CAE | CAD | NAG | 108.5° | 106.7° |
| CAI | NAH | NAG | 107.6° | 110.1° |
| NAH | CAI | H12 | 125.1° | 126.1° |
| CAC | CAD | NAG | 130.1° | 133.8° |
| CAD | CAC | H14 | 120.9° | 120.1° |
| CAD | NAG | NAH | 108.7° | 109.1° |
| CAD | NAG | H13 | 125.7° | 125.4° |
| NAH | NAG | H13 | 125.7° | 125.5° |
| H1 | CAK | H2 | 109.5° | 109.5° |
| H3 | CAL | H4 | 109.5° | 109.5° |
| H5 | CAM | H6 | 109.5° | 109.5° |
| H7 | CAN | H8 | 109.5° | 109.5° |
| H9 | CAO | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAP | CAJ | CAK | CAL | 63.7° | 60.0° |
| OAP | CAJ | CAO | CAN | 72.9° | 60.0° |
| OAP | CAJ | CAK | CAO | 115.2° | 120.0° |
| OAP | CAJ | CAK | CAF | 120.8° | 120.0° |
| OAP | CAJ | CAO | CAF | 119.4° | 120.0° |
| OAP | CAJ | CAF | CAA | 5.5° | 0.3° |
| OAP | CAJ | CAF | CAE | 174.8° | 180.0° |
| OAP | CAJ | CAK | H1 | 56.7° | 60.0° |
| OAP | CAJ | CAK | H2 | 175.9° | 180.0° |
| OAP | CAJ | CAO | H9 | 166.6° | 180.0° |
| OAP | CAJ | CAO | H10 | 47.7° | 60.0° |
| CAM | CAL | CAK | H3 | 119.9° | 120.0° |
| CAM | CAL | CAK | H4 | 119.9° | 119.9° |
| CAL | CAM | CAN | H5 | 119.9° | 119.9° |
| CAL | CAM | CAN | H6 | 119.9° | 120.0° |
| CAL | CAM | CAN | CAO | 56.3° | 60.0° |
| CAM | CAL | CAK | CAJ | 61.3° | 60.0° |
| CAM | CAL | CAK | H1 | 178.3° | 180.0° |
| CAM | CAL | CAK | H2 | 59.1° | 60.1° |
| CAM | CAL | H3 | H4 | 120.2° | 120.0° |
| CAL | CAM | H5 | H6 | 120.3° | 120.0° |
| CAL | CAM | CAN | H7 | 176.9° | 180.0° |
| CAL | CAM | CAN | H8 | 64.3° | 60.1° |
| CAK | CAL | CAM | CAN | 62.0° | 59.9° |
| CAL | CAK | CAJ | H1 | 120.5° | 120.0° |
| CAL | CAK | CAJ | H2 | 120.4° | 120.0° |
| CAL | CAK | CAJ | CAO | 51.5° | 60.0° |
| CAL | CAK | CAJ | CAF | 175.5° | 179.9° |
| CAL | CAK | H1 | H2 | 118.7° | 120.0° |
| CAK | CAL | H3 | H4 | 120.2° | 120.0° |
| CAK | CAL | CAM | H5 | 57.9° | 60.0° |
| CAK | CAL | CAM | H6 | 178.0° | 180.0° |
| CAM | CAN | CAO | H7 | 120.6° | 120.0° |
| CAM | CAN | CAO | H8 | 120.6° | 120.0° |
| CAM | CAN | CAO | CAJ | 47.2° | 60.0° |
| CAN | CAM | CAL | H3 | 57.9° | 179.9° |
| CAN | CAM | CAL | H4 | 178.0° | 60.0° |
| CAN | CAM | H5 | H6 | 120.2° | 120.1° |
| CAM | CAN | H7 | H8 | 118.1° | 120.0° |
| CAM | CAN | CAO | H9 | 73.4° | 60.0° |
| CAM | CAN | CAO | H10 | 167.8° | 180.0° |
| CAN | CAO | CAJ | CAK | 43.9° | 60.0° |
| CAN | CAO | CAJ | H9 | 120.6° | 120.0° |
| CAN | CAO | CAJ | H10 | 120.6° | 120.0° |
| CAN | CAO | CAJ | CAF | 167.7° | 180.0° |
| CAO | CAN | CAM | H5 | 63.6° | 60.0° |
| CAO | CAN | CAM | H6 | 176.2° | 180.0° |
| CAO | CAN | H7 | H8 | 118.2° | 120.0° |
| CAN | CAO | H9 | H10 | 118.3° | 120.0° |
| CAK | CAJ | CAO | CAF | 123.8° | 120.0° |
| CAK | CAJ | CAF | CAA | 113.6° | 120.3° |
| CAK | CAJ | CAF | CAE | 66.2° | 60.0° |
| CAJ | CAK | H1 | H2 | 118.6° | 120.0° |
| CAJ | CAK | CAL | H3 | 58.7° | 180.0° |
| CAJ | CAK | CAL | H4 | 178.8° | 60.0° |
| CAK | CAJ | CAO | H9 | 76.7° | 60.0° |
| CAK | CAJ | CAO | H10 | 164.4° | 180.0° |
| CAK | CAJ | OAP | H11 | 180.0° | 180.0° |
| CAO | CAJ | CAF | CAA | 121.6° | 119.7° |
| CAO | CAJ | CAF | CAE | 58.7° | 60.0° |
| CAO | CAJ | CAK | H1 | 172.0° | 180.0° |
| CAO | CAJ | CAK | H2 | 68.9° | 60.0° |
| CAJ | CAO | CAN | H7 | 167.8° | 180.0° |
| CAJ | CAO | CAN | H8 | 73.4° | 60.0° |
| CAJ | CAO | H9 | H10 | 118.3° | 120.0° |
| CAO | CAJ | OAP | H11 | 60.1° | 60.0° |
| CAJ | CAF | CAA | CAE | 179.7° | 179.7° |
| CAJ | CAF | CAA | CAB | 179.4° | 179.8° |
| CAJ | CAF | CAE | CAI | 1.2° | 0.1° |
| CAJ | CAF | CAE | CAD | 179.2° | 180.0° |
| CAF | CAJ | CAK | H1 | 64.1° | 60.0° |
| CAF | CAJ | CAK | H2 | 55.0° | 60.0° |
| CAF | CAJ | CAO | H9 | 47.2° | 60.0° |
| CAF | CAJ | CAO | H10 | 71.7° | 60.0° |
| CAF | CAJ | OAP | H11 | 59.3° | 60.0° |
| CAJ | CAF | CAA | H15 | 0.6° | 0.1° |
| CAF | CAA | CAB | H15 | 180.0° | 179.7° |
| CAF | CAA | CAB | CLA | 178.9° | 179.7° |
| CAF | CAA | CAB | CAC | 0.3° | 0.5° |
| CAA | CAF | CAE | CAI | 178.5° | 179.7° |
| CAA | CAF | CAE | CAD | 1.0° | 0.3° |
| CAB | CAA | CAF | CAE | 0.8° | 0.6° |
| CAA | CAB | CLA | CAC | 179.3° | 179.8° |
| CAA | CAB | CAC | CAD | 0.0° | 0.2° |
| CAA | CAB | CAC | H14 | 179.9° | 179.7° |
| CAF | CAE | CAI | CAD | 179.6° | 179.9° |
| CAF | CAE | CAI | NAH | 179.3° | 180.0° |
| CAF | CAE | CAD | CAC | 0.7° | 0.0° |
| CAF | CAE | CAD | NAG | 179.2° | 180.0° |
| CAF | CAE | CAI | H12 | 0.7° | 0.0° |
| CAE | CAF | CAA | H15 | 179.2° | 179.7° |
| CLA | CAB | CAC | CAD | 179.3° | 180.0° |
| CLA | CAB | CAC | H14 | 0.7° | 0.0° |
| CLA | CAB | CAA | H15 | 1.1° | 0.0° |
| CAB | CAC | CAD | CAE | 0.1° | 0.0° |
| CAB | CAC | CAD | H14 | 180.0° | 180.0° |
| CAB | CAC | CAD | NAG | 178.2° | 179.9° |
| CAC | CAB | CAA | H15 | 179.7° | 179.8° |
| CAE | CAI | NAH | H12 | 180.0° | 180.0° |
| CAI | CAE | CAD | CAC | 179.0° | 180.0° |
| CAI | CAE | CAD | NAG | 0.5° | 0.1° |
| CAE | CAI | NAH | NAG | 0.1° | 0.0° |
| CAD | CAE | CAI | NAH | 0.3° | 0.0° |
| CAE | CAD | CAC | NAG | 178.1° | 179.9° |
| CAE | CAD | NAG | NAH | 0.5° | 0.0° |
| CAD | CAE | CAI | H12 | 179.7° | 180.0° |
| CAE | CAD | CAC | H14 | 179.9° | 180.0° |
| CAE | CAD | NAG | H13 | 179.6° | 180.0° |
| CAI | NAH | NAG | CAD | 0.2° | 0.0° |
| CAI | NAH | NAG | H13 | 179.8° | 180.0° |
| CAC | CAD | NAG | NAH | 178.8° | 180.0° |
| CAC | CAD | NAG | H13 | 1.3° | 0.0° |
| CAD | NAG | NAH | H13 | 180.0° | 180.0° |
| NAG | CAD | CAC | H14 | 1.8° | 0.0° |
| NAG | NAH | CAI | H12 | 179.9° | 180.0° |
| H1 | CAK | CAL | H3 | 61.8° | 60.0° |
| H1 | CAK | CAL | H4 | 58.4° | 60.0° |
| H2 | CAK | CAL | H3 | 179.1° | 59.9° |
| H2 | CAK | CAL | H4 | 60.8° | 180.0° |
| H3 | CAL | CAM | H5 | 177.8° | 60.0° |
| H3 | CAL | CAM | H6 | 62.0° | 60.0° |
| H4 | CAL | CAM | H5 | 62.0° | NaN° |
| H4 | CAL | CAM | H6 | 58.1° | 60.0° |
| H5 | CAM | CAN | H7 | 56.9° | 60.0° |
| H5 | CAM | CAN | H8 | 175.7° | 180.0° |
| H6 | CAM | CAN | H7 | 63.2° | 60.0° |
| H6 | CAM | CAN | H8 | 55.6° | 60.0° |
| H7 | CAN | CAO | H9 | 47.2° | 59.9° |
| H7 | CAN | CAO | H10 | 71.6° | 60.0° |
| H8 | CAN | CAO | H9 | 166.0° | 179.9° |
| H8 | CAN | CAO | H10 | 47.2° | 60.0° |
