IH9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAC | CAM | sing | 1.36Å | 1.39Å | |
| CAF | CAM | doub | 1.39Å | 1.41Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.37Å | Aromatic |
| CAM | CAH | sing | 1.39Å | 1.43Å | Aromatic |
| CAE | CAG | doub | 1.38Å | 1.46Å | Aromatic |
| CAH | CAN | doub | 1.38Å | 1.40Å | Aromatic |
| CAG | CAN | sing | 1.38Å | 1.37Å | Aromatic |
| CAN | CAK | sing | 1.51Å | 1.53Å | |
| CAK | NAL | sing | 1.47Å | 1.47Å | |
| NAL | CAI | sing | 1.47Å | 1.46Å | |
| CAI | CAJ | sing | 1.53Å | 1.52Å | |
| CAJ | SAO | sing | 1.81Å | 1.76Å | |
| OAD | SAO | doub | 1.42Å | 1.49Å | |
| SAO | OAB | doub | 1.42Å | 1.52Å | |
| SAO | OAA | sing | 1.52Å | 1.49Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAI | H2 | sing | 1.09Å | 1.10Å | |
| NAL | H3 | sing | 1.01Å | 1.00Å | |
| CAK | H4 | sing | 1.09Å | 1.10Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAG | H7 | sing | 1.08Å | 1.08Å | |
| CAE | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| OAC | H10 | sing | 0.97Å | 0.95Å | |
| OAA | H11 | sing | 0.97Å | 0.95Å | |
| CAJ | H12 | sing | 1.09Å | 1.10Å | |
| CAI | H13 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAC | CAM | CAF | 120.7° | 120.1° |
| OAC | CAM | CAH | 120.4° | 120.0° |
| CAM | OAC | H10 | 109.5° | 114.0° |
| CAM | CAF | CAE | 121.3° | 120.0° |
| CAF | CAM | CAH | 118.9° | 119.8° |
| CAM | CAF | H9 | 119.3° | 120.0° |
| CAF | CAE | CAG | 119.4° | 120.0° |
| CAF | CAE | H8 | 120.3° | 120.0° |
| CAE | CAF | H9 | 119.3° | 120.0° |
| CAM | CAH | CAN | 119.8° | 119.9° |
| CAM | CAH | H6 | 120.1° | 120.1° |
| CAE | CAG | CAN | 119.6° | 120.1° |
| CAE | CAG | H7 | 120.2° | 119.9° |
| CAG | CAE | H8 | 120.3° | 120.0° |
| CAH | CAN | CAG | 121.0° | 120.1° |
| CAH | CAN | CAK | 119.0° | 120.0° |
| CAN | CAH | H6 | 120.1° | 120.0° |
| CAG | CAN | CAK | 120.0° | 120.0° |
| CAN | CAG | H7 | 120.2° | 120.0° |
| CAN | CAK | NAL | 116.3° | 109.5° |
| CAN | CAK | H4 | 107.7° | 109.4° |
| CAN | CAK | H5 | 107.8° | 109.5° |
| CAK | NAL | CAI | 108.6° | 111.0° |
| CAK | NAL | H3 | 109.7° | 111.0° |
| NAL | CAK | H4 | 107.7° | 109.5° |
| NAL | CAK | H5 | 107.7° | 109.5° |
| NAL | CAI | CAJ | 116.5° | 109.5° |
| NAL | CAI | H2 | 107.7° | 109.4° |
| CAI | NAL | H3 | 109.7° | 111.0° |
| NAL | CAI | H13 | 107.7° | 109.5° |
| CAI | CAJ | SAO | 115.3° | 109.4° |
| CAI | CAJ | H1 | 108.0° | 109.4° |
| CAJ | CAI | H2 | 107.7° | 109.5° |
| CAI | CAJ | H12 | 108.0° | 109.5° |
| CAJ | CAI | H13 | 107.7° | 109.5° |
| CAJ | SAO | OAD | 105.1° | 110.6° |
| CAJ | SAO | OAB | 111.7° | 110.6° |
| CAJ | SAO | OAA | 109.5° | 104.4° |
| SAO | CAJ | H1 | 108.0° | 109.5° |
| SAO | CAJ | H12 | 108.0° | 109.5° |
| OAD | SAO | OAB | 110.7° | 121.0° |
| OAD | SAO | OAA | 111.2° | 104.3° |
| OAB | SAO | OAA | 108.7° | 104.3° |
| SAO | OAA | H11 | 109.5° | 114.0° |
| H1 | CAJ | H12 | 109.5° | 109.5° |
| H2 | CAI | H13 | 109.5° | 109.5° |
| H4 | CAK | H5 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAC | CAM | CAF | CAH | 179.2° | 179.8° |
| OAC | CAM | CAF | CAE | 179.7° | 180.0° |
| OAC | CAM | CAH | CAN | 179.7° | 179.7° |
| OAC | CAM | CAH | H6 | 0.3° | 0.2° |
| OAC | CAM | CAF | H9 | 0.3° | 0.2° |
| CAM | CAF | CAE | H9 | 180.0° | 179.8° |
| CAM | CAF | CAE | CAG | 0.2° | 0.2° |
| CAF | CAM | CAH | CAN | 0.5° | 0.0° |
| CAF | CAM | CAH | H6 | 179.6° | 180.0° |
| CAM | CAF | CAE | H8 | 179.8° | 179.7° |
| CAF | CAM | OAC | H10 | 180.0° | 90.0° |
| CAE | CAF | CAM | CAH | 0.5° | 0.2° |
| CAF | CAE | CAG | H8 | 180.0° | 180.0° |
| CAF | CAE | CAG | CAN | 0.1° | 0.0° |
| CAF | CAE | CAG | H7 | 179.9° | 180.0° |
| CAM | CAH | CAN | H6 | 180.0° | 180.0° |
| CAM | CAH | CAN | CAG | 0.2° | 0.3° |
| CAM | CAH | CAN | CAK | 179.7° | 179.9° |
| CAH | CAM | CAF | H9 | 179.6° | 180.0° |
| CAH | CAM | OAC | H10 | 0.8° | 89.7° |
| CAE | CAG | CAN | CAH | 0.1° | 0.2° |
| CAE | CAG | CAN | H7 | 180.0° | 180.0° |
| CAE | CAG | CAN | CAK | 180.0° | 180.0° |
| CAG | CAE | CAF | H9 | 179.8° | 180.0° |
| CAH | CAN | CAG | CAK | 179.9° | 179.8° |
| CAH | CAN | CAK | NAL | 70.2° | 89.9° |
| CAH | CAN | CAK | H4 | 50.8° | 30.1° |
| CAH | CAN | CAK | H5 | 168.8° | 150.0° |
| CAH | CAN | CAG | H7 | 179.9° | 179.7° |
| CAG | CAN | CAK | NAL | 109.7° | 90.3° |
| CAG | CAN | CAK | H4 | 129.3° | 149.7° |
| CAG | CAN | CAK | H5 | 11.3° | 29.8° |
| CAG | CAN | CAH | H6 | 179.8° | 179.8° |
| CAN | CAG | CAE | H8 | 179.9° | 180.0° |
| CAN | CAK | NAL | H4 | 121.0° | 120.0° |
| CAN | CAK | NAL | H5 | 121.0° | 120.0° |
| CAN | CAK | NAL | CAI | 141.2° | 180.0° |
| CAN | CAK | NAL | H3 | 98.9° | 56.0° |
| CAN | CAK | H4 | H5 | 116.9° | 120.0° |
| CAK | CAN | CAH | H6 | 0.3° | 0.0° |
| CAK | CAN | CAG | H7 | 0.0° | 0.1° |
| CAK | NAL | CAI | H3 | 119.8° | 124.0° |
| CAK | NAL | CAI | CAJ | 174.5° | 180.0° |
| CAK | NAL | CAI | H2 | 64.5° | 60.0° |
| NAL | CAK | H4 | H5 | 116.9° | 120.0° |
| CAK | NAL | CAI | H13 | 53.5° | 60.0° |
| NAL | CAI | CAJ | H2 | 121.0° | 119.9° |
| NAL | CAI | CAJ | H13 | 121.0° | 120.0° |
| NAL | CAI | CAJ | SAO | 164.8° | 180.0° |
| NAL | CAI | CAJ | H1 | 74.4° | 60.0° |
| NAL | CAI | H2 | H13 | 116.8° | 120.0° |
| CAI | NAL | CAK | H4 | 20.2° | 60.0° |
| CAI | NAL | CAK | H5 | 97.8° | 60.0° |
| NAL | CAI | CAJ | H12 | 43.9° | 60.0° |
| CAI | CAJ | SAO | H1 | 120.8° | 120.0° |
| CAI | CAJ | SAO | H12 | 120.8° | 120.0° |
| CAI | CAJ | SAO | OAD | 45.4° | 68.4° |
| CAI | CAJ | SAO | OAB | 165.5° | 68.4° |
| CAI | CAJ | SAO | OAA | 74.1° | 180.0° |
| CAI | CAJ | H1 | H12 | 117.3° | 120.0° |
| CAJ | CAI | H2 | H13 | 116.8° | 120.0° |
| CAJ | CAI | NAL | H3 | 54.7° | 56.0° |
| CAJ | SAO | OAD | OAB | 120.7° | 131.6° |
| CAJ | SAO | OAD | OAA | 118.4° | 111.7° |
| CAJ | SAO | OAB | OAA | 121.0° | 111.7° |
| SAO | CAJ | H1 | H12 | 117.4° | 120.0° |
| SAO | CAJ | CAI | H2 | 43.8° | 60.0° |
| CAJ | SAO | OAA | H11 | 122.2° | 180.0° |
| SAO | CAJ | CAI | H13 | 74.2° | 60.0° |
| OAD | SAO | OAB | OAA | 122.4° | 116.7° |
| OAD | SAO | CAJ | H1 | 166.3° | 51.6° |
| OAD | SAO | OAA | H11 | 122.1° | 63.9° |
| OAD | SAO | CAJ | H12 | 75.4° | 171.6° |
| OAB | SAO | CAJ | H1 | 73.7° | 171.6° |
| OAB | SAO | OAA | H11 | 0.0° | 63.9° |
| OAB | SAO | CAJ | H12 | 44.6° | 51.6° |
| OAA | SAO | CAJ | H1 | 46.8° | 60.0° |
| OAA | SAO | CAJ | H12 | 165.1° | 60.0° |
| H1 | CAJ | CAI | H2 | 164.6° | 180.0° |
| H1 | CAJ | CAI | H13 | 46.7° | 60.0° |
| H2 | CAI | NAL | H3 | 175.7° | 64.0° |
| H2 | CAI | CAJ | H12 | 77.1° | 59.9° |
| H3 | NAL | CAK | H4 | 140.1° | 64.0° |
| H3 | NAL | CAK | H5 | 22.1° | 176.0° |
| H3 | NAL | CAI | H13 | 66.3° | 176.0° |
| H7 | CAG | CAE | H8 | 0.1° | 0.0° |
| H8 | CAE | CAF | H9 | 0.2° | 0.0° |
| H12 | CAJ | CAI | H13 | 165.0° | 180.0° |
