IJ4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FAE | CAN | sing | 1.35Å | 1.26Å | |
| CAA | CAM | sing | 1.51Å | 1.48Å | |
| CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAN | CAF | sing | 1.38Å | 1.42Å | Aromatic |
| CAM | CAH | sing | 1.38Å | 1.43Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.44Å | Aromatic |
| CAH | CAO | doub | 1.38Å | 1.42Å | Aromatic |
| CAG | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAO | CAK | sing | 1.51Å | 1.47Å | |
| CAK | NAL | sing | 1.47Å | 1.44Å | |
| NAL | CAI | sing | 1.47Å | 1.46Å | |
| CAI | CAJ | sing | 1.53Å | 1.55Å | |
| CAJ | SAP | sing | 1.81Å | 1.75Å | |
| OAC | SAP | doub | 1.42Å | 1.41Å | |
| SAP | OAB | doub | 1.42Å | 1.47Å | |
| SAP | OAD | 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 | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| CAA | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| OAD | H12 | sing | 0.97Å | 0.95Å | |
| CAJ | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FAE | CAN | CAM | 117.8° | 120.0° |
| FAE | CAN | CAF | 121.1° | 120.0° |
| CAA | CAM | CAN | 119.2° | 120.0° |
| CAA | CAM | CAH | 120.6° | 120.0° |
| CAM | CAA | H7 | 109.5° | 109.5° |
| CAM | CAA | H8 | 109.5° | 109.5° |
| CAM | CAA | H9 | 109.5° | 109.5° |
| CAM | CAN | CAF | 121.1° | 120.0° |
| CAN | CAM | CAH | 120.2° | 120.0° |
| CAN | CAF | CAG | 118.9° | 120.0° |
| CAN | CAF | H10 | 120.5° | 120.0° |
| CAM | CAH | CAO | 119.1° | 120.0° |
| CAM | CAH | H6 | 120.5° | 120.0° |
| CAF | CAG | CAO | 119.8° | 120.0° |
| CAG | CAF | H10 | 120.5° | 120.0° |
| CAF | CAG | H11 | 120.1° | 120.0° |
| CAH | CAO | CAG | 120.9° | 120.1° |
| CAH | CAO | CAK | 118.0° | 120.0° |
| CAO | CAH | H6 | 120.4° | 120.0° |
| CAG | CAO | CAK | 121.0° | 120.0° |
| CAO | CAG | H11 | 120.1° | 120.0° |
| CAO | CAK | NAL | 112.1° | 109.5° |
| CAO | CAK | H4 | 108.8° | 109.5° |
| CAO | CAK | H5 | 108.8° | 109.5° |
| CAK | NAL | CAI | 112.2° | 111.0° |
| CAK | NAL | H3 | 108.8° | 111.0° |
| NAL | CAK | H4 | 108.8° | 109.4° |
| NAL | CAK | H5 | 108.8° | 109.5° |
| NAL | CAI | CAJ | 115.1° | 109.5° |
| NAL | CAI | H2 | 108.0° | 109.5° |
| CAI | NAL | H3 | 108.8° | 111.0° |
| NAL | CAI | H14 | 108.0° | 109.5° |
| CAI | CAJ | SAP | 115.5° | 109.5° |
| CAI | CAJ | H1 | 108.0° | 109.5° |
| CAJ | CAI | H2 | 108.0° | 109.4° |
| CAI | CAJ | H13 | 108.0° | 109.5° |
| CAJ | CAI | H14 | 108.0° | 109.5° |
| CAJ | SAP | OAC | 107.3° | 110.5° |
| CAJ | SAP | OAB | 110.4° | 110.6° |
| CAJ | SAP | OAD | 109.4° | 104.5° |
| SAP | CAJ | H1 | 108.0° | 109.4° |
| SAP | CAJ | H13 | 108.0° | 109.5° |
| OAC | SAP | OAB | 108.4° | 121.0° |
| OAC | SAP | OAD | 109.5° | 104.3° |
| OAB | SAP | OAD | 111.7° | 104.2° |
| SAP | OAD | H12 | 109.5° | 114.0° |
| H1 | CAJ | H13 | 109.4° | 109.4° |
| H2 | CAI | H14 | 109.5° | 109.4° |
| H4 | CAK | H5 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.4° | 109.5° |
| H7 | CAA | H9 | 109.5° | 109.5° |
| H8 | CAA | H9 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FAE | CAN | CAM | CAA | 0.5° | 0.0° |
| FAE | CAN | CAM | CAF | 179.8° | 179.9° |
| FAE | CAN | CAM | CAH | 180.0° | 180.0° |
| FAE | CAN | CAF | CAG | 179.9° | 179.7° |
| FAE | CAN | CAF | H10 | 0.1° | 0.0° |
| CAA | CAM | CAN | CAH | 179.5° | 180.0° |
| CAA | CAM | CAN | CAF | 179.2° | 180.0° |
| CAA | CAM | CAH | CAO | 180.0° | 180.0° |
| CAA | CAM | CAH | H6 | 0.0° | 0.0° |
| CAM | CAA | H7 | H8 | 120.0° | 120.0° |
| CAM | CAA | H7 | H9 | 120.0° | 120.0° |
| CAM | CAA | H8 | H9 | 120.0° | 120.0° |
| CAM | CAN | CAF | CAG | 0.3° | 0.2° |
| CAN | CAM | CAH | CAO | 0.5° | 0.0° |
| CAN | CAM | CAH | H6 | 179.5° | 180.0° |
| CAN | CAM | CAA | H7 | 90.3° | 90.0° |
| CAN | CAM | CAA | H8 | 149.8° | 30.0° |
| CAN | CAM | CAA | H9 | 29.8° | 150.0° |
| CAM | CAN | CAF | H10 | 179.7° | 180.0° |
| CAF | CAN | CAM | CAH | 0.3° | 0.0° |
| CAN | CAF | CAG | H10 | 180.0° | 179.8° |
| CAN | CAF | CAG | CAO | 0.4° | 0.5° |
| CAN | CAF | CAG | H11 | 179.6° | 180.0° |
| CAM | CAH | CAO | H6 | 180.0° | 180.0° |
| CAM | CAH | CAO | CAG | 1.3° | 0.3° |
| CAM | CAH | CAO | CAK | 179.3° | 180.0° |
| CAH | CAM | CAA | H7 | 90.3° | 90.0° |
| CAH | CAM | CAA | H8 | 29.7° | 150.0° |
| CAH | CAM | CAA | H9 | 149.7° | 30.0° |
| CAF | CAG | CAO | CAH | 1.2° | 0.5° |
| CAF | CAG | CAO | H11 | 180.0° | 179.6° |
| CAF | CAG | CAO | CAK | 179.2° | 179.7° |
| CAH | CAO | CAG | CAK | 178.0° | 179.8° |
| CAH | CAO | CAK | NAL | 69.0° | 90.0° |
| CAH | CAO | CAK | H4 | 51.4° | 30.0° |
| CAH | CAO | CAK | H5 | 170.6° | 150.0° |
| CAH | CAO | CAG | H11 | 178.8° | 179.9° |
| CAG | CAO | CAK | NAL | 109.0° | 90.2° |
| CAG | CAO | CAK | H4 | 130.6° | 149.8° |
| CAG | CAO | CAK | H5 | 11.4° | 29.8° |
| CAG | CAO | CAH | H6 | 178.7° | 179.8° |
| CAO | CAG | CAF | H10 | 179.6° | 179.8° |
| CAO | CAK | NAL | H4 | 120.4° | 120.0° |
| CAO | CAK | NAL | H5 | 120.4° | 120.0° |
| CAO | CAK | NAL | CAI | 159.9° | 180.0° |
| CAO | CAK | NAL | H3 | 79.7° | 56.0° |
| CAO | CAK | H4 | H5 | 118.8° | 120.0° |
| CAK | CAO | CAH | H6 | 0.7° | 0.0° |
| CAK | CAO | CAG | H11 | 0.8° | 0.2° |
| CAK | NAL | CAI | H3 | 120.4° | 124.0° |
| CAK | NAL | CAI | CAJ | 179.9° | 180.0° |
| CAK | NAL | CAI | H2 | 59.3° | 60.0° |
| NAL | CAK | H4 | H5 | 118.8° | 120.0° |
| CAK | NAL | CAI | H14 | 59.1° | 60.0° |
| NAL | CAI | CAJ | H2 | 120.8° | 120.0° |
| NAL | CAI | CAJ | H14 | 120.8° | 120.1° |
| NAL | CAI | CAJ | SAP | 163.7° | 180.0° |
| NAL | CAI | CAJ | H1 | 75.4° | 60.0° |
| NAL | CAI | H2 | H14 | 117.4° | 120.0° |
| CAI | NAL | CAK | H4 | 39.5° | 60.0° |
| CAI | NAL | CAK | H5 | 79.8° | 59.9° |
| NAL | CAI | CAJ | H13 | 42.8° | 59.9° |
| CAI | CAJ | SAP | H1 | 120.9° | 120.0° |
| CAI | CAJ | SAP | H13 | 120.9° | 120.0° |
| CAI | CAJ | SAP | OAC | 61.4° | 68.4° |
| CAI | CAJ | SAP | OAB | 179.4° | 68.4° |
| CAI | CAJ | SAP | OAD | 57.3° | 180.0° |
| CAI | CAJ | H1 | H13 | 117.3° | 120.0° |
| CAJ | CAI | H2 | H14 | 117.4° | 120.0° |
| CAJ | CAI | NAL | H3 | 59.4° | 56.0° |
| CAJ | SAP | OAC | OAB | 119.3° | 131.5° |
| CAJ | SAP | OAC | OAD | 118.6° | 111.8° |
| CAJ | SAP | OAB | OAD | 121.9° | 111.8° |
| SAP | CAJ | H1 | H13 | 117.3° | 120.0° |
| SAP | CAJ | CAI | H2 | 42.9° | 60.0° |
| CAJ | SAP | OAD | H12 | 117.3° | 180.0° |
| SAP | CAJ | CAI | H14 | 75.5° | 60.0° |
| OAC | SAP | OAB | OAD | 120.7° | 116.7° |
| OAC | SAP | CAJ | H1 | 177.7° | 51.7° |
| OAC | SAP | OAD | H12 | 0.0° | 63.9° |
| OAC | SAP | CAJ | H13 | 59.4° | 171.6° |
| OAB | SAP | CAJ | H1 | 59.7° | 171.6° |
| OAB | SAP | OAD | H12 | 120.1° | 63.9° |
| OAB | SAP | CAJ | H13 | 58.5° | 51.6° |
| OAD | SAP | CAJ | H1 | 63.6° | 60.0° |
| OAD | SAP | CAJ | H13 | 178.1° | 60.0° |
| H1 | CAJ | CAI | H2 | 163.8° | 180.0° |
| H1 | CAJ | CAI | H14 | 45.4° | 60.0° |
| H2 | CAI | NAL | H3 | 179.8° | 64.0° |
| H2 | CAI | CAJ | H13 | 78.0° | 60.0° |
| H3 | NAL | CAK | H4 | 159.9° | 64.0° |
| H3 | NAL | CAK | H5 | 40.7° | 176.0° |
| H3 | NAL | CAI | H14 | 61.4° | 176.0° |
| H7 | CAA | H8 | H9 | 120.0° | 120.0° |
| H10 | CAF | CAG | H11 | 0.4° | 0.2° |
| H13 | CAJ | CAI | H14 | 163.6° | 180.0° |
