CI5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAV | CAU | sing | 1.53Å | 1.54Å | |
| CAU | CAR | sing | 1.53Å | 1.54Å | |
| OAM | CAL | sing | 1.46Å | 1.42Å | |
| OAM | CAN | sing | 1.34Å | 1.37Å | |
| NAQ | CAR | sing | 1.46Å | 1.47Å | |
| NAQ | CAP | sing | 1.35Å | 1.36Å | |
| CBA | CAZ | doub | 1.39Å | 1.41Å | Aromatic |
| CBA | CAS | sing | 1.36Å | 1.41Å | Aromatic |
| CAR | CAS | sing | 1.51Å | 1.47Å | |
| CAL | CAP | sing | 1.51Å | 1.52Å | |
| CAL | CAK | sing | 1.54Å | 1.56Å | |
| OAO | CAN | doub | 1.21Å | 1.24Å | |
| CAZ | CAY | sing | 1.36Å | 1.40Å | Aromatic |
| CAN | NAH | sing | 1.34Å | 1.33Å | |
| CAS | CAW | doub | 1.41Å | 1.41Å | Aromatic |
| CAP | OAT | doub | 1.21Å | 1.23Å | |
| CAK | NAH | sing | 1.47Å | 1.49Å | |
| CAY | CAX | doub | 1.41Å | 1.41Å | Aromatic |
| NAH | CAE | sing | 1.40Å | 1.35Å | |
| CAW | CAX | sing | 1.42Å | 1.41Å | Aromatic |
| CAW | CBB | sing | 1.40Å | 1.41Å | Aromatic |
| CAX | CBE | sing | 1.41Å | 1.41Å | Aromatic |
| CBB | CBC | doub | 1.36Å | 1.40Å | Aromatic |
| CAE | CAD | doub | 1.39Å | 1.41Å | Aromatic |
| CAE | CAF | sing | 1.39Å | 1.41Å | Aromatic |
| CAD | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CBE | CBD | doub | 1.36Å | 1.40Å | Aromatic |
| CAF | CAA | doub | 1.38Å | 1.41Å | Aromatic |
| CBC | CBD | sing | 1.39Å | 1.39Å | Aromatic |
| CAC | CAB | doub | 1.40Å | 1.39Å | Aromatic |
| CAA | CAB | sing | 1.40Å | 1.40Å | Aromatic |
| CAB | CAG | sing | 1.48Å | 1.44Å | |
| CAG | NAJ | doub | 1.30Å | 1.35Å | |
| CAG | NAI | sing | 1.38Å | 1.33Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAC | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAK | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAL | H7 | sing | 1.09Å | 1.10Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAU | H9 | sing | 1.09Å | 1.10Å | |
| CAU | H10 | sing | 1.09Å | 1.10Å | |
| CAV | H11 | sing | 1.09Å | 1.10Å | |
| CAV | H12 | sing | 1.09Å | 1.10Å | |
| CAV | H13 | sing | 1.09Å | 1.10Å | |
| CAY | H14 | sing | 1.08Å | 1.08Å | |
| CAZ | H15 | sing | 1.08Å | 1.08Å | |
| CBA | H16 | sing | 1.08Å | 1.08Å | |
| CBB | H17 | sing | 1.08Å | 1.08Å | |
| CBC | H18 | sing | 1.08Å | 1.08Å | |
| CBD | H19 | sing | 1.08Å | 1.08Å | |
| CBE | H20 | sing | 1.08Å | 1.08Å | |
| NAI | H21 | sing | 0.97Å | 1.00Å | |
| NAI | H22 | sing | 0.97Å | 1.00Å | |
| NAJ | H23 | sing | 0.97Å | 1.00Å | |
| NAQ | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAU | CAR | 111.1° | 109.5° |
| CAV | CAU | H9 | 109.1° | 109.5° |
| CAV | CAU | H10 | 109.1° | 109.4° |
| CAU | CAV | H11 | 109.5° | 109.5° |
| CAU | CAV | H12 | 109.5° | 109.4° |
| CAU | CAV | H13 | 109.4° | 109.5° |
| CAU | CAR | NAQ | 107.1° | 109.5° |
| CAU | CAR | CAS | 113.2° | 109.5° |
| CAU | CAR | H8 | 107.4° | 109.4° |
| CAR | CAU | H9 | 109.1° | 109.5° |
| CAR | CAU | H10 | 109.0° | 109.5° |
| CAL | OAM | CAN | 111.3° | 109.5° |
| OAM | CAL | CAP | 106.3° | 110.5° |
| OAM | CAL | CAK | 103.6° | 104.0° |
| OAM | CAL | H7 | 111.4° | 110.6° |
| OAM | CAN | OAO | 123.1° | 123.1° |
| OAM | CAN | NAH | 111.3° | 113.9° |
| CAR | NAQ | CAP | 119.8° | 120.0° |
| NAQ | CAR | CAS | 112.5° | 109.5° |
| NAQ | CAR | H8 | 108.2° | 109.5° |
| CAR | NAQ | H24 | 120.1° | 120.0° |
| NAQ | CAP | CAL | 114.2° | 120.0° |
| NAQ | CAP | OAT | 124.4° | 120.0° |
| CAP | NAQ | H24 | 120.1° | 120.0° |
| CAZ | CBA | CAS | 122.0° | 121.0° |
| CBA | CAZ | CAY | 119.5° | 120.9° |
| CBA | CAZ | H15 | 120.2° | 119.5° |
| CAZ | CBA | H16 | 119.0° | 119.4° |
| CBA | CAS | CAR | 120.2° | 120.2° |
| CBA | CAS | CAW | 118.2° | 119.6° |
| CAS | CBA | H16 | 119.0° | 119.5° |
| CAR | CAS | CAW | 121.6° | 120.2° |
| CAS | CAR | H8 | 108.3° | 109.5° |
| CAP | CAL | CAK | 116.1° | 110.5° |
| CAL | CAP | OAT | 121.3° | 120.0° |
| CAP | CAL | H7 | 109.9° | 110.5° |
| CAL | CAK | NAH | 102.5° | 103.8° |
| CAL | CAK | H5 | 111.2° | 110.5° |
| CAL | CAK | H6 | 111.2° | 110.7° |
| CAK | CAL | H7 | 109.3° | 110.6° |
| OAO | CAN | NAH | 125.5° | 123.0° |
| CAZ | CAY | CAX | 118.9° | 119.6° |
| CAZ | CAY | H14 | 120.5° | 120.2° |
| CAY | CAZ | H15 | 120.3° | 119.5° |
| CAN | NAH | CAK | 109.7° | 108.9° |
| CAN | NAH | CAE | 129.3° | 125.6° |
| CAS | CAW | CAX | 120.1° | 119.4° |
| CAS | CAW | CBB | 120.9° | 121.3° |
| CAK | NAH | CAE | 120.9° | 125.6° |
| NAH | CAK | H5 | 111.2° | 110.6° |
| NAH | CAK | H6 | 111.2° | 110.6° |
| CAY | CAX | CAW | 121.3° | 119.4° |
| CAY | CAX | CBE | 118.4° | 121.3° |
| CAX | CAY | H14 | 120.5° | 120.2° |
| NAH | CAE | CAD | 121.2° | 119.9° |
| NAH | CAE | CAF | 118.5° | 119.9° |
| CAX | CAW | CBB | 119.1° | 119.4° |
| CAW | CAX | CBE | 120.3° | 119.3° |
| CAW | CBB | CBC | 120.4° | 119.7° |
| CAW | CBB | H17 | 119.8° | 120.2° |
| CAX | CBE | CBD | 120.0° | 119.6° |
| CAX | CBE | H20 | 120.0° | 120.2° |
| CBB | CBC | CBD | 120.2° | 121.0° |
| CBC | CBB | H17 | 119.8° | 120.1° |
| CBB | CBC | H18 | 119.9° | 119.5° |
| CAD | CAE | CAF | 120.4° | 120.2° |
| CAE | CAD | CAC | 118.4° | 120.1° |
| CAE | CAD | H3 | 120.8° | 120.0° |
| CAE | CAF | CAA | 120.0° | 120.1° |
| CAE | CAF | H4 | 120.0° | 120.0° |
| CAD | CAC | CAB | 122.2° | 119.9° |
| CAD | CAC | H2 | 118.9° | 120.0° |
| CAC | CAD | H3 | 120.8° | 120.0° |
| CBE | CBD | CBC | 120.1° | 121.0° |
| CBE | CBD | H19 | 120.0° | 119.5° |
| CBD | CBE | H20 | 120.0° | 120.2° |
| CAF | CAA | CAB | 119.8° | 120.0° |
| CAF | CAA | H1 | 120.1° | 120.1° |
| CAA | CAF | H4 | 120.0° | 120.0° |
| CBD | CBC | H18 | 119.9° | 119.5° |
| CBC | CBD | H19 | 120.0° | 119.5° |
| CAC | CAB | CAA | 119.3° | 119.8° |
| CAC | CAB | CAG | 119.8° | 120.1° |
| CAB | CAC | H2 | 118.9° | 120.0° |
| CAA | CAB | CAG | 120.9° | 120.1° |
| CAB | CAA | H1 | 120.1° | 120.0° |
| CAB | CAG | NAJ | 120.3° | 120.0° |
| CAB | CAG | NAI | 121.0° | 120.0° |
| NAJ | CAG | NAI | 118.6° | 120.0° |
| CAG | NAJ | H23 | 112.0° | 120.0° |
| CAG | NAI | H21 | 120.0° | 120.0° |
| CAG | NAI | H22 | 120.0° | 120.0° |
| H5 | CAK | H6 | 109.4° | 110.5° |
| H9 | CAU | H10 | 109.5° | 109.5° |
| H11 | CAV | H12 | 109.4° | 109.4° |
| H11 | CAV | H13 | 109.5° | 109.5° |
| H12 | CAV | H13 | 109.5° | 109.4° |
| H21 | NAI | H22 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAU | CAR | H9 | 120.3° | 120.0° |
| CAV | CAU | CAR | H10 | 120.3° | 120.0° |
| CAV | CAU | CAR | NAQ | 70.5° | 65.0° |
| CAV | CAU | CAR | CAS | 164.9° | 174.9° |
| CAV | CAU | CAR | H8 | 45.5° | 55.0° |
| CAV | CAU | H9 | H10 | 119.3° | 120.0° |
| CAU | CAV | H11 | H12 | 120.0° | 120.0° |
| CAU | CAV | H11 | H13 | 120.0° | 120.1° |
| CAU | CAV | H12 | H13 | 120.0° | 120.0° |
| CAU | CAR | NAQ | CAS | 125.0° | 120.0° |
| CAU | CAR | NAQ | H8 | 115.5° | 119.9° |
| CAU | CAR | NAQ | CAP | 163.5° | 158.6° |
| CAU | CAR | CAS | CBA | 90.0° | 97.9° |
| CAU | CAR | CAS | H8 | 118.9° | 120.0° |
| CAU | CAR | CAS | CAW | 90.4° | 81.8° |
| CAR | CAU | H9 | H10 | 119.2° | 120.0° |
| CAR | CAU | CAV | H11 | 180.0° | 60.0° |
| CAR | CAU | CAV | H12 | 60.0° | 60.0° |
| CAR | CAU | CAV | H13 | 60.0° | 179.9° |
| CAU | CAR | NAQ | H24 | 16.5° | 21.4° |
| OAM | CAL | CAP | NAQ | 79.4° | 179.6° |
| OAM | CAL | CAP | CAK | 114.6° | 114.6° |
| OAM | CAL | CAP | H7 | 120.7° | 122.8° |
| OAM | CAL | CAK | H7 | 118.9° | 118.8° |
| CAL | OAM | CAN | OAO | 174.8° | 180.0° |
| CAL | OAM | CAN | NAH | 9.2° | 0.0° |
| OAM | CAL | CAP | OAT | 97.9° | 0.4° |
| OAM | CAL | CAK | NAH | 11.0° | 0.0° |
| OAM | CAL | CAK | H5 | 107.9° | 118.6° |
| OAM | CAL | CAK | H6 | 129.9° | 118.6° |
| CAN | OAM | CAL | CAP | 110.3° | 118.6° |
| CAN | OAM | CAL | CAK | 12.5° | 0.0° |
| OAM | CAN | OAO | NAH | 175.4° | 179.9° |
| OAM | CAN | NAH | CAK | 1.1° | 0.0° |
| OAM | CAN | NAH | CAE | 176.2° | 180.0° |
| CAN | OAM | CAL | H7 | 130.0° | 118.8° |
| CAR | NAQ | CAP | H24 | 180.0° | 180.0° |
| NAQ | CAR | CAS | CBA | 31.6° | 22.2° |
| NAQ | CAR | CAS | H8 | 119.5° | 120.0° |
| CAR | NAQ | CAP | CAL | 179.1° | 179.9° |
| NAQ | CAR | CAS | CAW | 148.0° | 158.1° |
| CAR | NAQ | CAP | OAT | 1.8° | 0.1° |
| NAQ | CAR | CAU | H9 | 169.2° | 55.0° |
| NAQ | CAR | CAU | H10 | 49.7° | 175.0° |
| CAP | NAQ | CAR | CAS | 71.5° | 81.3° |
| NAQ | CAP | CAL | OAT | 177.4° | 180.0° |
| NAQ | CAP | CAL | CAK | 166.0° | 65.0° |
| NAQ | CAP | CAL | H7 | 41.3° | 57.7° |
| CAP | NAQ | CAR | H8 | 48.0° | 38.7° |
| CAZ | CBA | CAS | H16 | 180.0° | 179.4° |
| CAZ | CBA | CAS | CAR | 179.5° | 179.7° |
| CBA | CAZ | CAY | H15 | 180.0° | 179.7° |
| CAZ | CBA | CAS | CAW | 0.9° | 0.6° |
| CBA | CAZ | CAY | CAX | 0.5° | 0.3° |
| CBA | CAZ | CAY | H14 | 179.5° | 179.7° |
| CBA | CAS | CAR | CAW | 179.6° | 179.7° |
| CAS | CBA | CAZ | CAY | 0.6° | 0.5° |
| CBA | CAS | CAW | CAX | 0.1° | 0.3° |
| CBA | CAS | CAW | CBB | 179.4° | 179.7° |
| CBA | CAS | CAR | H8 | 151.1° | 142.2° |
| CAS | CBA | CAZ | H15 | 179.4° | 179.7° |
| CAR | CAS | CAW | CAX | 179.7° | 180.0° |
| CAR | CAS | CAW | CBB | 1.0° | 0.1° |
| CAS | CAR | CAU | H9 | 44.7° | 65.0° |
| CAS | CAR | CAU | H10 | 74.8° | 55.0° |
| CAR | CAS | CBA | H16 | 0.5° | 0.3° |
| CAS | CAR | NAQ | H24 | 108.5° | 98.6° |
| CAP | CAL | CAK | H7 | 125.0° | 122.6° |
| CAP | CAL | CAK | NAH | 105.1° | 118.6° |
| CAP | CAL | CAK | H5 | 136.0° | 122.8° |
| CAP | CAL | CAK | H6 | 13.8° | 0.0° |
| CAL | CAP | NAQ | H24 | 0.9° | 0.0° |
| CAL | CAK | NAH | CAN | 6.4° | 0.0° |
| CAK | CAL | CAP | OAT | 16.7° | 115.0° |
| CAL | CAK | NAH | H5 | 118.9° | 118.5° |
| CAL | CAK | NAH | H6 | 118.9° | 118.7° |
| CAL | CAK | NAH | CAE | 176.1° | 180.0° |
| CAL | CAK | H5 | H6 | 123.2° | 122.9° |
| OAO | CAN | NAH | CAK | 176.9° | 180.0° |
| OAO | CAN | NAH | CAE | 0.4° | 0.0° |
| CAZ | CAY | CAX | H14 | 180.0° | 180.0° |
| CAZ | CAY | CAX | CAW | 1.3° | 0.0° |
| CAZ | CAY | CAX | CBE | 179.7° | 180.0° |
| CAY | CAZ | CBA | H16 | 179.4° | 180.0° |
| CAN | NAH | CAK | CAE | 177.5° | 180.0° |
| CAN | NAH | CAE | CAD | 3.3° | 4.4° |
| CAN | NAH | CAE | CAF | 177.0° | 175.4° |
| CAN | NAH | CAK | H5 | 112.5° | 118.5° |
| CAN | NAH | CAK | H6 | 125.3° | 118.7° |
| CAS | CAW | CAX | CAY | 1.0° | 0.0° |
| CAS | CAW | CAX | CBB | 179.3° | 179.9° |
| CAS | CAW | CAX | CBE | 180.0° | 180.0° |
| CAS | CAW | CBB | CBC | 179.1° | 180.0° |
| CAW | CAS | CAR | H8 | 28.5° | 38.1° |
| CAW | CAS | CBA | H16 | 179.1° | 180.0° |
| CAS | CAW | CBB | H17 | 0.9° | 0.0° |
| OAT | CAP | CAL | H7 | 141.4° | 122.3° |
| OAT | CAP | NAQ | H24 | 178.2° | 180.0° |
| CAK | NAH | CAE | CAD | 179.6° | 175.7° |
| CAK | NAH | CAE | CAF | 0.1° | 4.6° |
| NAH | CAK | H5 | H6 | 123.2° | 122.8° |
| NAH | CAK | CAL | H7 | 129.9° | 118.8° |
| CAY | CAX | CAW | CBE | 179.0° | 180.0° |
| CAY | CAX | CAW | CBB | 178.3° | 180.0° |
| CAY | CAX | CBE | CBD | 178.4° | 180.0° |
| CAX | CAY | CAZ | H15 | 179.5° | 180.0° |
| CAY | CAX | CBE | H20 | 1.6° | 0.1° |
| NAH | CAE | CAD | CAF | 179.7° | 179.8° |
| NAH | CAE | CAD | CAC | 179.4° | 179.9° |
| NAH | CAE | CAF | CAA | 179.7° | 179.7° |
| NAH | CAE | CAD | H3 | 0.6° | 0.1° |
| NAH | CAE | CAF | H4 | 0.4° | 0.2° |
| CAE | NAH | CAK | H5 | 65.0° | 61.5° |
| CAE | NAH | CAK | H6 | 57.2° | 61.3° |
| CAX | CAW | CBB | CBC | 1.6° | 0.0° |
| CAW | CAX | CBE | CBD | 0.6° | 0.0° |
| CAW | CAX | CAY | H14 | 178.7° | 180.0° |
| CAX | CAW | CBB | H17 | 178.4° | 179.9° |
| CAW | CAX | CBE | H20 | 179.4° | 179.9° |
| CBB | CAW | CAX | CBE | 0.7° | 0.0° |
| CAW | CBB | CBC | H17 | 180.0° | 180.0° |
| CAW | CBB | CBC | CBD | 2.4° | 0.0° |
| CAW | CBB | CBC | H18 | 177.6° | 180.0° |
| CAX | CBE | CBD | H20 | 180.0° | 180.0° |
| CAX | CBE | CBD | CBC | 1.4° | 0.0° |
| CBE | CAX | CAY | H14 | 0.4° | 0.0° |
| CAX | CBE | CBD | H19 | 178.6° | 179.9° |
| CBB | CBC | CBD | CBE | 2.3° | 0.0° |
| CBB | CBC | CBD | H18 | 180.0° | 179.9° |
| CBB | CBC | CBD | H19 | 177.7° | 179.9° |
| CAE | CAD | CAC | H3 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAA | 0.0° | 0.5° |
| CAE | CAD | CAC | CAB | 0.5° | 0.1° |
| CAE | CAD | CAC | H2 | 179.5° | 180.0° |
| CAD | CAE | CAF | H4 | 180.0° | 180.0° |
| CAF | CAE | CAD | CAC | 0.3° | 0.3° |
| CAE | CAF | CAA | H4 | 180.0° | 179.5° |
| CAE | CAF | CAA | CAB | 0.0° | 0.6° |
| CAE | CAF | CAA | H1 | 180.0° | 179.7° |
| CAF | CAE | CAD | H3 | 179.8° | 179.7° |
| CAD | CAC | CAB | H2 | 180.0° | 179.9° |
| CAD | CAC | CAB | CAA | 0.5° | 0.1° |
| CAD | CAC | CAB | CAG | 179.6° | 180.0° |
| CBE | CBD | CBC | H19 | 180.0° | 180.0° |
| CBE | CBD | CBC | H18 | 177.7° | 180.0° |
| CAF | CAA | CAB | CAC | 0.3° | 0.3° |
| CAF | CAA | CAB | H1 | 180.0° | 179.7° |
| CAF | CAA | CAB | CAG | 179.9° | 179.8° |
| CBD | CBC | CBB | H17 | 177.6° | 179.9° |
| CBC | CBD | CBE | H20 | 178.6° | 179.9° |
| CAC | CAB | CAA | CAG | 179.9° | 179.9° |
| CAC | CAB | CAG | NAJ | 13.1° | 180.0° |
| CAC | CAB | CAG | NAI | 171.2° | 0.1° |
| CAC | CAB | CAA | H1 | 179.7° | 180.0° |
| CAB | CAC | CAD | H3 | 179.5° | 179.9° |
| CAA | CAB | CAG | NAJ | 166.7° | 0.1° |
| CAA | CAB | CAG | NAI | 8.9° | 180.0° |
| CAA | CAB | CAC | H2 | 179.5° | 180.0° |
| CAB | CAA | CAF | H4 | 179.9° | 180.0° |
| CAB | CAG | NAJ | NAI | 175.8° | 179.9° |
| CAG | CAB | CAA | H1 | 0.1° | 0.1° |
| CAG | CAB | CAC | H2 | 0.4° | 0.1° |
| CAB | CAG | NAI | H21 | 175.7° | 0.1° |
| CAB | CAG | NAI | H22 | 4.3° | 180.0° |
| CAB | CAG | NAJ | H23 | 175.7° | 180.0° |
| NAJ | CAG | NAI | H21 | 0.0° | 180.0° |
| NAJ | CAG | NAI | H22 | 180.0° | 0.1° |
| CAG | NAI | H21 | H22 | 180.0° | 179.9° |
| NAI | CAG | NAJ | H23 | 0.0° | 0.1° |
| H1 | CAA | CAF | H4 | 0.1° | 0.3° |
| H2 | CAC | CAD | H3 | 0.5° | 0.0° |
| H5 | CAK | CAL | H7 | 11.1° | 0.2° |
| H6 | CAK | CAL | H7 | 111.2° | 122.6° |
| H8 | CAR | CAU | H9 | 74.7° | 175.0° |
| H8 | CAR | CAU | H10 | 165.8° | 65.0° |
| H8 | CAR | NAQ | H24 | 132.0° | 141.4° |
| H9 | CAU | CAV | H11 | 59.7° | 180.0° |
| H9 | CAU | CAV | H12 | 60.2° | 60.0° |
| H9 | CAU | CAV | H13 | 179.8° | 59.9° |
| H10 | CAU | CAV | H11 | 59.8° | 60.0° |
| H10 | CAU | CAV | H12 | 179.8° | 180.0° |
| H10 | CAU | CAV | H13 | 60.2° | 60.1° |
| H11 | CAV | H12 | H13 | 120.0° | 120.0° |
| H14 | CAY | CAZ | H15 | 0.5° | 0.0° |
| H15 | CAZ | CBA | H16 | 0.6° | 0.3° |
| H17 | CBB | CBC | H18 | 2.4° | 0.0° |
| H18 | CBC | CBD | H19 | 2.3° | 0.0° |
| H19 | CBD | CBE | H20 | 1.4° | 0.1° |
