EIH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAA | doub | 1.38Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.38Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAD | doub | 1.38Å | 1.40Å | Aromatic |
| CAK | CAG | doub | 1.36Å | 1.34Å | Aromatic |
| CAK | NAJ | sing | 1.37Å | 1.34Å | Aromatic |
| CAB | CAG | sing | 1.48Å | 1.40Å | |
| CAB | CAC | doub | 1.39Å | 1.40Å | Aromatic |
| CAW | NAJ | sing | 1.47Å | 1.46Å | |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | NAH | sing | 1.35Å | 1.33Å | Aromatic |
| NAJ | CAI | sing | 1.35Å | 1.32Å | Aromatic |
| NAH | CAI | doub | 1.30Å | 1.33Å | Aromatic |
| CAI | CAL | sing | 1.51Å | 1.52Å | |
| SAM | CAL | sing | 1.81Å | 1.86Å | |
| SAM | CAN | sing | 1.76Å | 1.76Å | |
| CAN | NAO | sing | 1.33Å | 1.34Å | Aromatic |
| CAN | NAR | doub | 1.32Å | 1.33Å | Aromatic |
| NAO | CAP | doub | 1.33Å | 1.33Å | Aromatic |
| NAR | NAQ | sing | 1.40Å | 1.23Å | Aromatic |
| CAP | NAQ | sing | 1.37Å | 1.41Å | Aromatic |
| CAP | CAS | sing | 1.41Å | 1.38Å | Aromatic |
| NAQ | CAV | sing | 1.36Å | 1.41Å | Aromatic |
| CAS | CAT | doub | 1.36Å | 1.40Å | Aromatic |
| CAV | CAU | doub | 1.35Å | 1.39Å | Aromatic |
| CAT | CAU | sing | 1.40Å | 1.40Å | Aromatic |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAF | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAD | H4 | sing | 1.08Å | 1.08Å | |
| CAC | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAW | H7 | sing | 1.09Å | 1.10Å | |
| CAW | H8 | sing | 1.09Å | 1.10Å | |
| CAW | H9 | sing | 1.09Å | 1.10Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAS | H12 | sing | 1.08Å | 1.08Å | |
| CAT | H13 | sing | 1.08Å | 1.08Å | |
| CAU | H14 | sing | 1.08Å | 1.08Å | |
| CAV | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | CAF | CAE | 120.1° | 120.1° |
| CAF | CAA | CAB | 120.3° | 119.9° |
| CAF | CAA | H1 | 119.9° | 120.1° |
| CAA | CAF | H2 | 120.0° | 119.9° |
| CAF | CAE | CAD | 120.1° | 120.2° |
| CAE | CAF | H2 | 120.0° | 119.9° |
| CAF | CAE | H3 | 119.9° | 119.9° |
| CAA | CAB | CAG | 120.9° | 120.1° |
| CAA | CAB | CAC | 119.2° | 119.7° |
| CAB | CAA | H1 | 119.9° | 120.0° |
| CAE | CAD | CAC | 119.3° | 120.2° |
| CAD | CAE | H3 | 119.9° | 119.9° |
| CAE | CAD | H4 | 120.3° | 119.9° |
| CAG | CAK | NAJ | 106.8° | 106.7° |
| CAK | CAG | CAB | 127.4° | 126.1° |
| CAK | CAG | NAH | 107.0° | 107.7° |
| CAG | CAK | H6 | 126.6° | 126.6° |
| CAK | NAJ | CAW | 124.4° | 126.3° |
| CAK | NAJ | CAI | 110.2° | 107.4° |
| NAJ | CAK | H6 | 126.6° | 126.7° |
| CAG | CAB | CAC | 119.8° | 120.1° |
| CAB | CAG | NAH | 125.4° | 126.2° |
| CAB | CAC | CAD | 121.0° | 119.9° |
| CAB | CAC | H5 | 119.5° | 120.1° |
| CAW | NAJ | CAI | 125.4° | 126.3° |
| NAJ | CAW | H7 | 109.5° | 109.4° |
| NAJ | CAW | H8 | 109.5° | 109.4° |
| NAJ | CAW | H9 | 109.5° | 109.4° |
| CAC | CAD | H4 | 120.3° | 119.9° |
| CAD | CAC | H5 | 119.5° | 120.1° |
| CAG | NAH | CAI | 110.1° | 109.2° |
| NAJ | CAI | NAH | 105.9° | 109.0° |
| NAJ | CAI | CAL | 128.1° | 125.5° |
| NAH | CAI | CAL | 126.0° | 125.5° |
| CAI | CAL | SAM | 112.7° | 109.5° |
| CAI | CAL | H10 | 108.7° | 109.5° |
| CAI | CAL | H11 | 108.6° | 109.4° |
| CAL | SAM | CAN | 100.2° | 103.0° |
| SAM | CAL | H10 | 108.7° | 109.5° |
| SAM | CAL | H11 | 108.6° | 109.5° |
| SAM | CAN | NAO | 126.4° | 125.3° |
| SAM | CAN | NAR | 122.6° | 125.2° |
| NAO | CAN | NAR | 111.0° | 109.5° |
| CAN | NAO | CAP | 104.4° | 109.7° |
| CAN | NAR | NAQ | 108.9° | 107.1° |
| NAO | CAP | NAQ | 107.6° | 107.5° |
| NAO | CAP | CAS | 133.1° | 132.8° |
| NAR | NAQ | CAP | 108.1° | 106.3° |
| NAR | NAQ | CAV | 130.8° | 133.0° |
| NAQ | CAP | CAS | 119.3° | 119.7° |
| CAP | NAQ | CAV | 121.1° | 120.7° |
| CAP | CAS | CAT | 119.3° | 119.3° |
| CAP | CAS | H12 | 120.4° | 120.4° |
| NAQ | CAV | CAU | 119.2° | 120.6° |
| NAQ | CAV | H15 | 120.4° | 119.7° |
| CAS | CAT | CAU | 121.7° | 119.6° |
| CAT | CAS | H12 | 120.3° | 120.4° |
| CAS | CAT | H13 | 119.1° | 120.2° |
| CAV | CAU | CAT | 119.3° | 120.2° |
| CAV | CAU | H14 | 120.3° | 119.9° |
| CAU | CAV | H15 | 120.4° | 119.8° |
| CAU | CAT | H13 | 119.1° | 120.2° |
| CAT | CAU | H14 | 120.3° | 119.9° |
| H7 | CAW | H8 | 109.5° | 109.5° |
| H7 | CAW | H9 | 109.4° | 109.5° |
| H8 | CAW | H9 | 109.5° | 109.5° |
| H10 | CAL | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | CAF | CAE | H2 | 180.0° | 179.9° |
| CAF | CAA | CAB | H1 | 180.0° | 179.7° |
| CAA | CAF | CAE | CAD | 0.4° | 0.1° |
| CAF | CAA | CAB | CAG | 178.2° | 179.8° |
| CAF | CAA | CAB | CAC | 1.4° | 0.0° |
| CAA | CAF | CAE | H3 | 179.6° | 180.0° |
| CAE | CAF | CAA | CAB | 0.6° | 0.1° |
| CAF | CAE | CAD | H3 | 180.0° | 179.9° |
| CAF | CAE | CAD | CAC | 0.6° | 0.1° |
| CAE | CAF | CAA | H1 | 179.3° | 179.7° |
| CAF | CAE | CAD | H4 | 179.4° | 179.9° |
| CAA | CAB | CAG | CAK | 0.9° | 179.7° |
| CAA | CAB | CAG | CAC | 176.8° | 179.8° |
| CAA | CAB | CAC | CAD | 1.1° | 0.0° |
| CAA | CAB | CAG | NAH | 177.3° | 0.0° |
| CAB | CAA | CAF | H2 | 179.4° | 180.0° |
| CAA | CAB | CAC | H5 | 178.9° | 180.0° |
| CAE | CAD | CAC | CAB | 0.1° | 0.0° |
| CAE | CAD | CAC | H4 | 180.0° | 180.0° |
| CAD | CAE | CAF | H2 | 179.6° | 180.0° |
| CAE | CAD | CAC | H5 | 179.9° | 180.0° |
| CAG | CAK | NAJ | H6 | 180.0° | 179.9° |
| CAK | CAG | CAB | NAH | 176.4° | 179.8° |
| CAK | CAG | CAB | CAC | 175.9° | 0.5° |
| CAG | CAK | NAJ | CAW | 178.5° | 179.9° |
| CAG | CAK | NAJ | CAI | 1.5° | 0.2° |
| CAK | CAG | NAH | CAI | 1.2° | 0.2° |
| NAJ | CAK | CAG | CAB | 178.5° | 180.0° |
| CAK | NAJ | CAW | CAI | 179.9° | 179.7° |
| NAJ | CAK | CAG | NAH | 1.6° | 0.3° |
| CAK | NAJ | CAI | NAH | 0.8° | 0.0° |
| CAK | NAJ | CAI | CAL | 178.6° | 179.9° |
| CAK | NAJ | CAW | H7 | 180.0° | 90.0° |
| CAK | NAJ | CAW | H8 | 60.0° | 150.0° |
| CAK | NAJ | CAW | H9 | 60.0° | 30.0° |
| CAG | CAB | CAC | CAD | 178.0° | 179.8° |
| CAB | CAG | NAH | CAI | 178.2° | 180.0° |
| CAG | CAB | CAA | H1 | 1.8° | 0.1° |
| CAG | CAB | CAC | H5 | 2.0° | 0.2° |
| CAB | CAG | CAK | H6 | 1.4° | 0.1° |
| CAB | CAC | CAD | H5 | 180.0° | 180.0° |
| CAC | CAB | CAG | NAH | 0.5° | 179.8° |
| CAC | CAB | CAA | H1 | 178.6° | 179.8° |
| CAB | CAC | CAD | H4 | 179.9° | 180.0° |
| CAW | NAJ | CAI | NAH | 179.2° | 179.8° |
| CAW | NAJ | CAI | CAL | 1.5° | 0.1° |
| CAW | NAJ | CAK | H6 | 1.6° | 0.0° |
| NAJ | CAW | H7 | H8 | 120.1° | 119.9° |
| NAJ | CAW | H7 | H9 | 120.0° | 119.9° |
| NAJ | CAW | H8 | H9 | 120.0° | 120.0° |
| CAC | CAD | CAE | H3 | 179.4° | 180.0° |
| CAG | NAH | CAI | NAJ | 0.3° | 0.1° |
| CAG | NAH | CAI | CAL | 179.6° | 180.0° |
| NAH | CAG | CAK | H6 | 178.4° | 179.7° |
| NAJ | CAI | NAH | CAL | 179.4° | 179.9° |
| NAJ | CAI | CAL | SAM | 75.8° | 89.9° |
| CAI | NAJ | CAK | H6 | 178.5° | 179.8° |
| CAI | NAJ | CAW | H7 | 0.1° | 90.2° |
| CAI | NAJ | CAW | H8 | 120.0° | 29.7° |
| CAI | NAJ | CAW | H9 | 120.0° | 149.8° |
| NAJ | CAI | CAL | H10 | 163.7° | 30.2° |
| NAJ | CAI | CAL | H11 | 44.6° | 150.1° |
| NAH | CAI | CAL | SAM | 103.4° | 90.0° |
| NAH | CAI | CAL | H10 | 17.1° | 149.9° |
| NAH | CAI | CAL | H11 | 136.1° | 30.0° |
| CAI | CAL | SAM | H10 | 120.5° | 120.1° |
| CAI | CAL | SAM | H11 | 120.5° | 120.0° |
| CAI | CAL | SAM | CAN | 174.0° | 180.0° |
| CAI | CAL | H10 | H11 | 118.5° | 119.9° |
| CAL | SAM | CAN | NAO | 160.9° | 180.0° |
| CAL | SAM | CAN | NAR | 17.1° | 0.3° |
| SAM | CAL | H10 | H11 | 118.5° | 120.0° |
| SAM | CAN | NAO | NAR | 178.2° | 179.7° |
| SAM | CAN | NAO | CAP | 179.0° | 180.0° |
| SAM | CAN | NAR | NAQ | 179.4° | 179.9° |
| CAN | SAM | CAL | H10 | 53.5° | 60.0° |
| CAN | SAM | CAL | H11 | 65.6° | 60.0° |
| NAO | CAN | NAR | NAQ | 1.1° | 0.4° |
| CAN | NAO | CAP | NAQ | 0.3° | 0.0° |
| CAN | NAO | CAP | CAS | 179.8° | 180.0° |
| NAR | CAN | NAO | CAP | 0.8° | 0.2° |
| CAN | NAR | NAQ | CAP | 0.8° | 0.4° |
| CAN | NAR | NAQ | CAV | 179.5° | 179.9° |
| NAO | CAP | NAQ | NAR | 0.3° | 0.2° |
| NAO | CAP | NAQ | CAS | 179.9° | 180.0° |
| NAO | CAP | NAQ | CAV | 180.0° | 180.0° |
| NAO | CAP | CAS | CAT | 180.0° | 180.0° |
| NAO | CAP | CAS | H12 | 0.0° | 0.0° |
| NAR | NAQ | CAP | CAV | 179.7° | 179.7° |
| NAR | NAQ | CAP | CAS | 179.6° | 179.8° |
| NAR | NAQ | CAV | CAU | 178.9° | 179.7° |
| NAR | NAQ | CAV | H15 | 1.1° | 0.4° |
| NAQ | CAP | CAS | CAT | 0.1° | 0.0° |
| CAP | NAQ | CAV | CAU | 0.7° | 0.0° |
| NAQ | CAP | CAS | H12 | 179.9° | 180.0° |
| CAP | NAQ | CAV | H15 | 179.3° | 180.0° |
| CAS | CAP | NAQ | CAV | 0.1° | 0.0° |
| CAP | CAS | CAT | H12 | 180.0° | 180.0° |
| CAP | CAS | CAT | CAU | 0.7° | 0.0° |
| CAP | CAS | CAT | H13 | 179.3° | 180.0° |
| NAQ | CAV | CAU | H15 | 180.0° | 179.9° |
| NAQ | CAV | CAU | CAT | 1.3° | 0.1° |
| NAQ | CAV | CAU | H14 | 178.7° | 180.0° |
| CAS | CAT | CAU | CAV | 1.3° | 0.0° |
| CAS | CAT | CAU | H13 | 180.0° | 180.0° |
| CAS | CAT | CAU | H14 | 178.7° | 180.0° |
| CAV | CAU | CAT | H14 | 180.0° | 180.0° |
| CAV | CAU | CAT | H13 | 178.7° | 180.0° |
| CAU | CAT | CAS | H12 | 179.3° | 180.0° |
| CAT | CAU | CAV | H15 | 178.7° | 180.0° |
| H1 | CAA | CAF | H2 | 0.7° | 0.3° |
| H2 | CAF | CAE | H3 | 0.4° | 0.0° |
| H3 | CAE | CAD | H4 | 0.6° | 0.0° |
| H4 | CAD | CAC | H5 | 0.1° | 0.0° |
| H7 | CAW | H8 | H9 | 119.9° | 120.1° |
| H12 | CAS | CAT | H13 | 0.7° | 0.0° |
| H13 | CAT | CAU | H14 | 1.3° | 0.0° |
| H14 | CAU | CAV | H15 | 1.3° | 0.1° |
