D8I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAM | CAA | sing | 1.43Å | 1.38Å | |
| OAM | CAO | sing | 1.36Å | 1.38Å | |
| CAG | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAG | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAH | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAF | doub | 1.38Å | 1.38Å | Aromatic |
| CAH | CAN | doub | 1.38Å | 1.39Å | Aromatic |
| CAF | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAN | CAJ | sing | 1.51Å | 1.50Å | |
| CAJ | NAL | sing | 1.47Å | 1.44Å | |
| NAL | CAI | sing | 1.47Å | 1.44Å | |
| CAI | CAK | sing | 1.53Å | 1.50Å | |
| CAK | SAP | sing | 1.81Å | 1.77Å | |
| OAD | SAP | doub | 1.42Å | 1.47Å | |
| SAP | OAC | doub | 1.42Å | 1.47Å | |
| SAP | OAB | sing | 1.52Å | 1.47Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAG | H5 | sing | 1.08Å | 1.08Å | |
| CAE | H6 | sing | 1.08Å | 1.08Å | |
| CAF | H7 | sing | 1.08Å | 1.08Å | |
| CAJ | H8 | sing | 1.09Å | 1.10Å | |
| CAJ | H9 | sing | 1.09Å | 1.10Å | |
| NAL | H10 | sing | 1.01Å | 1.00Å | |
| CAI | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| OAB | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | OAM | CAO | 118.8° | 117.0° |
| OAM | CAA | H1 | 109.5° | 109.5° |
| OAM | CAA | H2 | 109.5° | 109.5° |
| OAM | CAA | H3 | 109.5° | 109.5° |
| OAM | CAO | CAG | 120.5° | 120.1° |
| OAM | CAO | CAH | 120.6° | 120.0° |
| CAO | CAG | CAE | 121.3° | 119.9° |
| CAG | CAO | CAH | 118.9° | 119.9° |
| CAO | CAG | H5 | 119.3° | 120.0° |
| CAG | CAE | CAF | 119.6° | 120.1° |
| CAE | CAG | H5 | 119.3° | 120.1° |
| CAG | CAE | H6 | 120.2° | 119.9° |
| CAO | CAH | CAN | 120.1° | 120.0° |
| CAO | CAH | H4 | 119.9° | 120.0° |
| CAE | CAF | CAN | 119.4° | 120.1° |
| CAF | CAE | H6 | 120.2° | 120.0° |
| CAE | CAF | H7 | 120.3° | 119.9° |
| CAH | CAN | CAF | 120.5° | 120.0° |
| CAH | CAN | CAJ | 117.9° | 120.0° |
| CAN | CAH | H4 | 119.9° | 120.0° |
| CAF | CAN | CAJ | 121.6° | 120.0° |
| CAN | CAF | H7 | 120.3° | 119.9° |
| CAN | CAJ | NAL | 116.1° | 109.5° |
| CAN | CAJ | H8 | 107.8° | 109.5° |
| CAN | CAJ | H9 | 107.8° | 109.5° |
| CAJ | NAL | CAI | 111.3° | 111.0° |
| NAL | CAJ | H8 | 107.8° | 109.5° |
| NAL | CAJ | H9 | 107.8° | 109.4° |
| CAJ | NAL | H10 | 109.0° | 111.0° |
| NAL | CAI | CAK | 115.0° | 109.5° |
| CAI | NAL | H10 | 109.0° | 111.0° |
| NAL | CAI | H12 | 108.0° | 109.5° |
| NAL | CAI | H13 | 108.1° | 109.5° |
| CAI | CAK | SAP | 120.4° | 109.5° |
| CAK | CAI | H12 | 108.1° | 109.5° |
| CAK | CAI | H13 | 108.0° | 109.4° |
| CAI | CAK | H14 | 106.7° | 109.5° |
| CAI | CAK | H15 | 106.7° | 109.4° |
| CAK | SAP | OAD | 109.3° | 110.6° |
| CAK | SAP | OAC | 108.2° | 110.6° |
| CAK | SAP | OAB | 111.6° | 104.5° |
| SAP | CAK | H14 | 106.6° | 109.5° |
| SAP | CAK | H15 | 106.6° | 109.5° |
| OAD | SAP | OAC | 106.8° | 121.0° |
| OAD | SAP | OAB | 110.7° | 104.2° |
| OAC | SAP | OAB | 110.1° | 104.3° |
| SAP | OAB | H11 | 109.5° | 114.1° |
| H1 | CAA | H2 | 109.5° | 109.4° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H8 | CAJ | H9 | 109.5° | 109.5° |
| H12 | CAI | H13 | 109.5° | 109.5° |
| H14 | CAK | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | OAM | CAO | CAG | 177.1° | 0.3° |
| CAA | OAM | CAO | CAH | 3.2° | 180.0° |
| OAM | CAA | H1 | H2 | 120.0° | 120.0° |
| OAM | CAA | H1 | H3 | 120.0° | 120.0° |
| OAM | CAA | H2 | H3 | 120.0° | 120.0° |
| OAM | CAO | CAG | CAH | 179.7° | 179.7° |
| OAM | CAO | CAG | CAE | 180.0° | 180.0° |
| OAM | CAO | CAH | CAN | 180.0° | 180.0° |
| CAO | OAM | CAA | H1 | 180.0° | 180.0° |
| CAO | OAM | CAA | H2 | 60.0° | 60.0° |
| CAO | OAM | CAA | H3 | 60.0° | 60.0° |
| OAM | CAO | CAH | H4 | 0.1° | 0.1° |
| OAM | CAO | CAG | H5 | 0.0° | 0.0° |
| CAO | CAG | CAE | H5 | 180.0° | 180.0° |
| CAO | CAG | CAE | CAF | 0.5° | 0.0° |
| CAG | CAO | CAH | CAN | 0.2° | 0.4° |
| CAG | CAO | CAH | H4 | 179.8° | 179.8° |
| CAO | CAG | CAE | H6 | 179.5° | 180.0° |
| CAE | CAG | CAO | CAH | 0.3° | 0.3° |
| CAG | CAE | CAF | H6 | 180.0° | 180.0° |
| CAG | CAE | CAF | CAN | 0.7° | 0.2° |
| CAG | CAE | CAF | H7 | 179.3° | 180.0° |
| CAO | CAH | CAN | H4 | 180.0° | 179.9° |
| CAO | CAH | CAN | CAF | 0.4° | 0.1° |
| CAO | CAH | CAN | CAJ | 179.5° | 180.0° |
| CAH | CAO | CAG | H5 | 179.7° | 179.6° |
| CAE | CAF | CAN | CAH | 0.6° | 0.2° |
| CAE | CAF | CAN | H7 | 180.0° | 179.8° |
| CAE | CAF | CAN | CAJ | 179.7° | 179.7° |
| CAF | CAE | CAG | H5 | 179.5° | 179.9° |
| CAH | CAN | CAF | CAJ | 179.1° | 179.9° |
| CAH | CAN | CAJ | NAL | 62.7° | 89.9° |
| CAH | CAN | CAF | H7 | 179.4° | 179.9° |
| CAH | CAN | CAJ | H8 | 58.2° | 150.0° |
| CAH | CAN | CAJ | H9 | 176.3° | 30.0° |
| CAF | CAN | CAJ | NAL | 116.3° | 90.0° |
| CAF | CAN | CAH | H4 | 179.6° | 180.0° |
| CAN | CAF | CAE | H6 | 179.3° | 179.7° |
| CAF | CAN | CAJ | H8 | 122.7° | 30.0° |
| CAF | CAN | CAJ | H9 | 4.6° | 150.0° |
| CAN | CAJ | NAL | H8 | 121.0° | 120.0° |
| CAN | CAJ | NAL | H9 | 121.0° | 120.0° |
| CAN | CAJ | NAL | CAI | 158.6° | 180.0° |
| CAJ | CAN | CAH | H4 | 0.5° | 0.1° |
| CAJ | CAN | CAF | H7 | 0.3° | 0.0° |
| CAN | CAJ | H8 | H9 | 117.0° | 120.0° |
| CAN | CAJ | NAL | H10 | 81.1° | 56.0° |
| CAJ | NAL | CAI | H10 | 120.3° | 124.0° |
| CAJ | NAL | CAI | CAK | 166.4° | 180.0° |
| NAL | CAJ | H8 | H9 | 117.0° | 120.0° |
| CAJ | NAL | CAI | H12 | 72.8° | 60.0° |
| CAJ | NAL | CAI | H13 | 45.6° | 60.0° |
| NAL | CAI | CAK | H12 | 120.8° | 120.0° |
| NAL | CAI | CAK | H13 | 120.9° | 120.0° |
| NAL | CAI | CAK | SAP | 153.1° | 180.0° |
| CAI | NAL | CAJ | H8 | 37.6° | 60.0° |
| CAI | NAL | CAJ | H9 | 80.4° | 60.0° |
| NAL | CAI | H12 | H13 | 117.5° | 120.0° |
| NAL | CAI | CAK | H14 | 85.4° | 60.0° |
| NAL | CAI | CAK | H15 | 31.6° | 60.0° |
| CAI | CAK | SAP | H14 | 121.5° | 120.0° |
| CAI | CAK | SAP | H15 | 121.5° | 120.0° |
| CAI | CAK | SAP | OAD | 60.6° | 68.4° |
| CAI | CAK | SAP | OAC | 176.5° | 68.4° |
| CAI | CAK | SAP | OAB | 62.2° | 180.0° |
| CAK | CAI | NAL | H10 | 46.1° | 56.1° |
| CAK | CAI | H12 | H13 | 117.4° | 120.0° |
| CAI | CAK | H14 | H15 | 115.1° | 120.0° |
| CAK | SAP | OAD | OAC | 116.9° | 131.6° |
| CAK | SAP | OAD | OAB | 123.3° | 111.8° |
| CAK | SAP | OAC | OAB | 122.3° | 111.8° |
| SAP | CAK | CAI | H12 | 32.3° | 60.0° |
| SAP | CAK | CAI | H13 | 86.1° | 60.0° |
| SAP | CAK | H14 | H15 | 115.0° | 120.0° |
| CAK | SAP | OAB | H11 | 120.2° | 180.0° |
| OAD | SAP | OAC | OAB | 120.2° | 116.7° |
| OAD | SAP | CAK | H14 | 177.9° | 171.6° |
| OAD | SAP | CAK | H15 | 60.9° | 51.6° |
| OAD | SAP | OAB | H11 | 117.8° | 63.9° |
| OAC | SAP | CAK | H14 | 62.0° | 51.6° |
| OAC | SAP | CAK | H15 | 55.0° | 171.6° |
| OAC | SAP | OAB | H11 | 0.0° | 63.9° |
| OAB | SAP | CAK | H14 | 59.4° | 60.0° |
| OAB | SAP | CAK | H15 | 176.3° | 60.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H5 | CAG | CAE | H6 | 0.5° | 0.0° |
| H6 | CAE | CAF | H7 | 0.7° | 0.0° |
| H8 | CAJ | NAL | H10 | 157.9° | 176.1° |
| H9 | CAJ | NAL | H10 | 39.8° | 64.0° |
| H10 | NAL | CAI | H12 | 166.9° | 176.0° |
| H10 | NAL | CAI | H13 | 74.7° | 63.9° |
| H12 | CAI | CAK | H14 | 153.8° | 180.0° |
| H12 | CAI | CAK | H15 | 89.2° | 60.0° |
| H13 | CAI | CAK | H14 | 35.4° | 60.0° |
| H13 | CAI | CAK | H15 | 152.4° | 180.0° |
