H4I
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FBJ | CBF | sing | 1.35Å | 1.29Å | |
CBE | CBF | doub | 1.38Å | 1.40Å | Aromatic |
CBE | CBD | sing | 1.38Å | 1.40Å | Aromatic |
CBF | CBG | sing | 1.38Å | 1.39Å | Aromatic |
CBD | CBC | doub | 1.38Å | 1.40Å | Aromatic |
CBG | CBH | doub | 1.38Å | 1.39Å | Aromatic |
CBC | CBH | sing | 1.39Å | 1.41Å | Aromatic |
CBC | SAZ | sing | 1.76Å | 1.79Å | |
CBH | FBI | sing | 1.35Å | 1.38Å | |
OBA | SAZ | doub | 1.42Å | 1.53Å | |
OBB | SAZ | doub | 1.42Å | 1.51Å | |
SAZ | NAY | sing | 1.66Å | 1.70Å | |
FAX | CAU | sing | 1.40Å | 1.34Å | |
CAN | CAO | sing | 1.51Å | 1.43Å | |
CAN | SAK | sing | 1.81Å | 1.83Å | |
CAP | CAO | doub | 1.38Å | 1.40Å | Aromatic |
CAP | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
CAO | CAT | sing | 1.38Å | 1.40Å | Aromatic |
CAQ | CAR | doub | 1.38Å | 1.41Å | Aromatic |
CAT | CAS | doub | 1.38Å | 1.39Å | Aromatic |
FAW | CAU | sing | 1.40Å | 1.30Å | |
CAR | CAS | sing | 1.38Å | 1.39Å | Aromatic |
CAR | CAU | sing | 1.51Å | 1.42Å | |
CAU | FAV | sing | 1.40Å | 1.30Å | |
NAY | CAC | sing | 1.40Å | 1.35Å | |
OAL | SAK | doub | 1.42Å | 1.53Å | |
SAK | OAM | doub | 1.42Å | 1.50Å | |
SAK | NAJ | sing | 1.66Å | 1.66Å | |
CAC | CAB | doub | 1.39Å | 1.39Å | Aromatic |
CAC | CAD | sing | 1.39Å | 1.38Å | Aromatic |
CAB | CAA | sing | 1.39Å | 1.42Å | Aromatic |
CAD | CAE | doub | 1.38Å | 1.39Å | Aromatic |
CAA | NAJ | sing | 1.40Å | 1.36Å | |
CAA | CAF | doub | 1.39Å | 1.41Å | Aromatic |
NAJ | CAI | sing | 1.47Å | 1.49Å | |
CAE | CAF | sing | 1.39Å | 1.39Å | Aromatic |
CAF | CAG | sing | 1.51Å | 1.41Å | |
CAI | CAH | sing | 1.53Å | 1.48Å | |
CAH | CAG | sing | 1.53Å | 1.53Å | |
CBG | H1 | sing | 1.08Å | 1.08Å | |
CBE | H2 | sing | 1.08Å | 1.08Å | |
CBD | H3 | sing | 1.08Å | 1.08Å | |
NAY | H4 | sing | 0.97Å | 1.00Å | |
CAB | H5 | sing | 1.08Å | 1.08Å | |
CAD | H6 | sing | 1.08Å | 1.08Å | |
CAE | H7 | sing | 1.08Å | 1.08Å | |
CAG | H8 | sing | 1.09Å | 1.10Å | |
CAG | H9 | sing | 1.09Å | 1.10Å | |
CAH | H10 | sing | 1.09Å | 1.10Å | |
CAH | H11 | sing | 1.09Å | 1.10Å | |
CAI | H12 | sing | 1.09Å | 1.10Å | |
CAI | H13 | sing | 1.09Å | 1.10Å | |
CAN | H14 | sing | 1.09Å | 1.10Å | |
CAN | H15 | sing | 1.09Å | 1.10Å | |
CAP | H16 | sing | 1.08Å | 1.08Å | |
CAQ | H17 | sing | 1.08Å | 1.08Å | |
CAS | H18 | sing | 1.08Å | 1.08Å | |
CAT | H19 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FBJ | CBF | CBE | 119.4° | 120.0° |
FBJ | CBF | CBG | 120.1° | 120.0° |
CBF | CBE | CBD | 120.7° | 120.0° |
CBE | CBF | CBG | 120.6° | 120.0° |
CBF | CBE | H2 | 119.7° | 120.0° |
CBE | CBD | CBC | 119.0° | 120.1° |
CBD | CBE | H2 | 119.7° | 120.0° |
CBE | CBD | H3 | 120.5° | 120.0° |
CBF | CBG | CBH | 119.0° | 120.0° |
CBF | CBG | H1 | 120.5° | 120.1° |
CBD | CBC | CBH | 120.0° | 120.0° |
CBD | CBC | SAZ | 120.0° | 120.0° |
CBC | CBD | H3 | 120.5° | 120.0° |
CBG | CBH | CBC | 120.8° | 120.0° |
CBG | CBH | FBI | 119.8° | 120.0° |
CBH | CBG | H1 | 120.5° | 120.0° |
CBH | CBC | SAZ | 120.0° | 120.0° |
CBC | CBH | FBI | 119.4° | 120.0° |
CBC | SAZ | OBA | 110.3° | 106.4° |
CBC | SAZ | OBB | 109.4° | 106.4° |
CBC | SAZ | NAY | 110.3° | 107.2° |
OBA | SAZ | OBB | 109.2° | 123.2° |
OBA | SAZ | NAY | 109.8° | 106.4° |
OBB | SAZ | NAY | 107.7° | 106.4° |
SAZ | NAY | CAC | 123.1° | 120.0° |
SAZ | NAY | H4 | 106.0° | 120.1° |
FAX | CAU | FAW | 107.4° | 109.5° |
FAX | CAU | CAR | 112.4° | 109.5° |
FAX | CAU | FAV | 105.2° | 109.4° |
CAO | CAN | SAK | 111.9° | 109.4° |
CAN | CAO | CAP | 122.6° | 120.0° |
CAN | CAO | CAT | 119.4° | 120.0° |
CAO | CAN | H14 | 108.9° | 109.5° |
CAO | CAN | H15 | 108.8° | 109.4° |
CAN | SAK | OAL | 113.5° | 110.5° |
CAN | SAK | OAM | 109.8° | 110.6° |
CAN | SAK | NAJ | 106.0° | 104.4° |
SAK | CAN | H14 | 108.9° | 109.5° |
SAK | CAN | H15 | 108.9° | 109.5° |
CAO | CAP | CAQ | 120.4° | 120.0° |
CAP | CAO | CAT | 118.0° | 120.0° |
CAO | CAP | H16 | 119.8° | 119.9° |
CAP | CAQ | CAR | 121.2° | 120.0° |
CAQ | CAP | H16 | 119.8° | 120.0° |
CAP | CAQ | H17 | 119.4° | 120.0° |
CAO | CAT | CAS | 121.8° | 120.0° |
CAO | CAT | H19 | 119.1° | 120.0° |
CAQ | CAR | CAS | 118.2° | 119.9° |
CAQ | CAR | CAU | 123.4° | 120.0° |
CAR | CAQ | H17 | 119.4° | 120.0° |
CAT | CAS | CAR | 120.5° | 120.0° |
CAT | CAS | H18 | 119.8° | 120.0° |
CAS | CAT | H19 | 119.1° | 120.0° |
FAW | CAU | CAR | 109.2° | 109.5° |
FAW | CAU | FAV | 111.2° | 109.5° |
CAS | CAR | CAU | 118.4° | 120.0° |
CAR | CAS | H18 | 119.8° | 119.9° |
CAR | CAU | FAV | 111.3° | 109.5° |
NAY | CAC | CAB | 123.2° | 120.1° |
NAY | CAC | CAD | 118.3° | 120.1° |
CAC | NAY | H4 | 106.0° | 120.0° |
OAL | SAK | OAM | 110.1° | 121.0° |
OAL | SAK | NAJ | 109.5° | 104.3° |
OAM | SAK | NAJ | 107.6° | 104.3° |
SAK | NAJ | CAA | 122.3° | 120.5° |
SAK | NAJ | CAI | 119.3° | 120.5° |
CAB | CAC | CAD | 118.4° | 119.7° |
CAC | CAB | CAA | 121.9° | 120.0° |
CAC | CAB | H5 | 119.0° | 120.0° |
CAC | CAD | CAE | 120.6° | 120.0° |
CAC | CAD | H6 | 119.7° | 120.0° |
CAB | CAA | NAJ | 123.6° | 119.1° |
CAB | CAA | CAF | 118.7° | 120.1° |
CAA | CAB | H5 | 119.1° | 120.0° |
CAD | CAE | CAF | 121.5° | 120.4° |
CAE | CAD | H6 | 119.7° | 120.0° |
CAD | CAE | H7 | 119.3° | 119.8° |
NAJ | CAA | CAF | 117.7° | 120.8° |
CAA | NAJ | CAI | 118.1° | 118.9° |
CAA | CAF | CAE | 118.9° | 119.7° |
CAA | CAF | CAG | 123.7° | 121.5° |
NAJ | CAI | CAH | 108.0° | 107.8° |
NAJ | CAI | H12 | 109.9° | 109.8° |
NAJ | CAI | H13 | 109.8° | 109.9° |
CAE | CAF | CAG | 117.4° | 118.8° |
CAF | CAE | H7 | 119.3° | 119.8° |
CAF | CAG | CAH | 114.2° | 110.5° |
CAF | CAG | H8 | 108.3° | 109.2° |
CAF | CAG | H9 | 108.3° | 109.3° |
CAI | CAH | CAG | 108.3° | 108.9° |
CAI | CAH | H10 | 109.8° | 109.5° |
CAI | CAH | H11 | 109.8° | 109.7° |
CAH | CAI | H12 | 109.8° | 109.8° |
CAH | CAI | H13 | 109.8° | 109.8° |
CAH | CAG | H8 | 108.3° | 109.3° |
CAH | CAG | H9 | 108.3° | 109.3° |
CAG | CAH | H10 | 109.7° | 109.6° |
CAG | CAH | H11 | 109.7° | 109.6° |
H8 | CAG | H9 | 109.5° | 109.3° |
H10 | CAH | H11 | 109.5° | 109.5° |
H12 | CAI | H13 | 109.5° | 109.8° |
H14 | CAN | H15 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FBJ | CBF | CBE | CBG | 179.1° | 180.0° |
FBJ | CBF | CBE | CBD | 179.3° | 180.0° |
FBJ | CBF | CBG | CBH | 179.5° | 180.0° |
FBJ | CBF | CBG | H1 | 0.5° | 0.0° |
FBJ | CBF | CBE | H2 | 0.7° | 0.0° |
CBF | CBE | CBD | H2 | 180.0° | 180.0° |
CBF | CBE | CBD | CBC | 0.1° | 0.3° |
CBE | CBF | CBG | CBH | 0.4° | 0.0° |
CBE | CBF | CBG | H1 | 179.5° | 180.0° |
CBF | CBE | CBD | H3 | 179.9° | 180.0° |
CBD | CBE | CBF | CBG | 0.3° | 0.0° |
CBE | CBD | CBC | H3 | 180.0° | 179.7° |
CBE | CBD | CBC | CBH | 0.1° | 0.5° |
CBE | CBD | CBC | SAZ | 179.4° | 180.0° |
CBF | CBG | CBH | H1 | 180.0° | 180.0° |
CBF | CBG | CBH | CBC | 0.5° | 0.3° |
CBF | CBG | CBH | FBI | 179.5° | 180.0° |
CBG | CBF | CBE | H2 | 179.7° | 180.0° |
CBD | CBC | CBH | CBG | 0.3° | 0.5° |
CBD | CBC | CBH | SAZ | 179.5° | 179.5° |
CBD | CBC | CBH | FBI | 179.3° | 179.7° |
CBD | CBC | SAZ | OBA | 133.2° | 131.9° |
CBD | CBC | SAZ | OBB | 13.0° | 1.1° |
CBD | CBC | SAZ | NAY | 105.3° | 114.6° |
CBC | CBD | CBE | H2 | 179.9° | 179.8° |
CBG | CBH | CBC | FBI | 179.0° | 179.8° |
CBG | CBH | CBC | SAZ | 179.2° | 180.0° |
CBH | CBC | SAZ | OBA | 47.3° | 47.6° |
CBH | CBC | SAZ | OBB | 167.4° | 179.4° |
CBH | CBC | SAZ | NAY | 74.2° | 65.9° |
CBC | CBH | CBG | H1 | 179.5° | 179.8° |
CBH | CBC | CBD | H3 | 179.9° | 179.7° |
SAZ | CBC | CBH | FBI | 0.2° | 0.2° |
CBC | SAZ | OBA | OBB | 120.3° | 122.9° |
CBC | SAZ | OBA | NAY | 121.8° | 114.1° |
CBC | SAZ | OBB | NAY | 119.9° | 114.1° |
CBC | SAZ | NAY | CAC | 53.6° | 61.6° |
SAZ | CBC | CBD | H3 | 0.6° | 0.2° |
CBC | SAZ | NAY | H4 | 68.3° | 118.5° |
FBI | CBH | CBG | H1 | 0.5° | 0.0° |
OBA | SAZ | OBB | NAY | 119.2° | 123.0° |
OBA | SAZ | NAY | CAC | 175.3° | 175.1° |
OBA | SAZ | NAY | H4 | 53.5° | 5.0° |
OBB | SAZ | NAY | CAC | 65.8° | 52.0° |
OBB | SAZ | NAY | H4 | 172.3° | 128.0° |
SAZ | NAY | CAC | H4 | 121.9° | 179.9° |
SAZ | NAY | CAC | CAB | 69.7° | 134.1° |
SAZ | NAY | CAC | CAD | 113.7° | 46.2° |
FAX | CAU | CAR | CAQ | 129.5° | 30.0° |
FAX | CAU | FAW | CAR | 122.1° | 120.0° |
FAX | CAU | FAW | FAV | 114.6° | 120.0° |
FAX | CAU | CAR | CAS | 50.7° | 150.1° |
FAX | CAU | CAR | FAV | 117.7° | 120.0° |
CAO | CAN | SAK | H14 | 120.4° | 120.0° |
CAO | CAN | SAK | H15 | 120.3° | 119.9° |
CAN | CAO | CAP | CAT | 178.9° | 179.7° |
CAN | CAO | CAP | CAQ | 179.2° | 180.0° |
CAN | CAO | CAT | CAS | 179.2° | 179.8° |
CAO | CAN | SAK | OAL | 170.8° | 68.4° |
CAO | CAN | SAK | OAM | 65.4° | 68.4° |
CAO | CAN | SAK | NAJ | 50.5° | 180.0° |
CAO | CAN | H14 | H15 | 118.9° | 120.0° |
CAN | CAO | CAP | H16 | 0.8° | 0.0° |
CAN | CAO | CAT | H19 | 0.8° | 0.1° |
SAK | CAN | CAO | CAP | 113.2° | 89.7° |
SAK | CAN | CAO | CAT | 67.9° | 90.0° |
CAN | SAK | OAL | OAM | 123.5° | 131.5° |
CAN | SAK | OAL | NAJ | 118.3° | 111.7° |
CAN | SAK | OAM | NAJ | 115.0° | 111.7° |
CAN | SAK | NAJ | CAA | 53.8° | 82.4° |
CAN | SAK | NAJ | CAI | 120.6° | 97.6° |
SAK | CAN | H14 | H15 | 118.9° | 120.1° |
CAO | CAP | CAQ | H16 | 180.0° | 179.9° |
CAO | CAP | CAQ | CAR | 0.4° | 0.0° |
CAP | CAO | CAT | CAS | 0.3° | 0.5° |
CAP | CAO | CAN | H14 | 7.2° | 150.3° |
CAP | CAO | CAN | H15 | 126.4° | 30.3° |
CAO | CAP | CAQ | H17 | 179.6° | 179.9° |
CAP | CAO | CAT | H19 | 179.7° | 179.6° |
CAQ | CAP | CAO | CAT | 0.3° | 0.3° |
CAP | CAQ | CAR | H17 | 180.0° | 179.9° |
CAP | CAQ | CAR | CAS | 0.6° | 0.1° |
CAP | CAQ | CAR | CAU | 179.6° | 180.0° |
CAO | CAT | CAS | H19 | 180.0° | 179.9° |
CAO | CAT | CAS | CAR | 0.4° | 0.4° |
CAT | CAO | CAN | H14 | 171.7° | 30.0° |
CAT | CAO | CAN | H15 | 52.5° | 150.0° |
CAT | CAO | CAP | H16 | 179.7° | 179.8° |
CAO | CAT | CAS | H18 | 179.6° | 179.8° |
CAQ | CAR | CAS | CAT | 0.6° | 0.1° |
CAQ | CAR | CAU | FAW | 10.4° | 150.0° |
CAQ | CAR | CAS | CAU | 179.8° | 179.9° |
CAQ | CAR | CAU | FAV | 112.8° | 89.9° |
CAR | CAQ | CAP | H16 | 179.6° | 180.0° |
CAQ | CAR | CAS | H18 | 179.4° | 180.0° |
CAT | CAS | CAR | H18 | 180.0° | 179.9° |
CAT | CAS | CAR | CAU | 179.6° | 179.8° |
FAW | CAU | CAR | CAS | 169.8° | 30.1° |
FAW | CAU | CAR | FAV | 123.2° | 120.0° |
CAS | CAR | CAU | FAV | 67.0° | 90.0° |
CAS | CAR | CAQ | H17 | 179.5° | 180.0° |
CAR | CAS | CAT | H19 | 179.6° | 179.7° |
CAU | CAR | CAQ | H17 | 0.4° | 0.1° |
CAU | CAR | CAS | H18 | 0.4° | 0.1° |
NAY | CAC | CAB | CAD | 176.6° | 179.7° |
NAY | CAC | CAB | CAA | 178.0° | 180.0° |
NAY | CAC | CAD | CAE | 178.5° | 179.9° |
NAY | CAC | CAB | H5 | 2.0° | 0.1° |
NAY | CAC | CAD | H6 | 1.5° | 0.1° |
OAL | SAK | OAM | NAJ | 119.3° | 116.7° |
OAL | SAK | NAJ | CAA | 69.1° | 161.6° |
OAL | SAK | NAJ | CAI | 116.6° | 18.5° |
OAL | SAK | CAN | H14 | 50.5° | 171.6° |
OAL | SAK | CAN | H15 | 68.8° | 51.6° |
OAM | SAK | NAJ | CAA | 171.2° | 33.8° |
OAM | SAK | NAJ | CAI | 3.2° | 146.3° |
OAM | SAK | CAN | H14 | 174.2° | 51.6° |
OAM | SAK | CAN | H15 | 54.9° | 171.7° |
SAK | NAJ | CAA | CAB | 26.4° | 13.5° |
SAK | NAJ | CAA | CAI | 174.4° | 179.9° |
SAK | NAJ | CAA | CAF | 153.3° | 166.5° |
SAK | NAJ | CAI | CAH | 122.1° | 135.3° |
SAK | NAJ | CAI | H12 | 118.1° | 105.1° |
SAK | NAJ | CAI | H13 | 2.3° | 15.8° |
NAJ | SAK | CAN | H14 | 69.9° | 60.0° |
NAJ | SAK | CAN | H15 | 170.9° | 60.0° |
CAC | CAB | CAA | H5 | 180.0° | 179.9° |
CAB | CAC | CAD | CAE | 1.7° | 0.1° |
CAC | CAB | CAA | NAJ | 179.3° | 179.7° |
CAC | CAB | CAA | CAF | 0.3° | 0.2° |
CAB | CAC | NAY | H4 | 168.4° | 46.0° |
CAB | CAC | CAD | H6 | 178.2° | 179.8° |
CAD | CAC | CAB | CAA | 1.4° | 0.2° |
CAC | CAD | CAE | H6 | 180.0° | 179.9° |
CAC | CAD | CAE | CAF | 1.1° | 0.0° |
CAD | CAC | NAY | H4 | 8.2° | 133.7° |
CAD | CAC | CAB | H5 | 178.6° | 179.9° |
CAC | CAD | CAE | H7 | 178.9° | 180.0° |
CAB | CAA | NAJ | CAF | 179.7° | 180.0° |
CAB | CAA | NAJ | CAI | 159.3° | 166.4° |
CAB | CAA | CAF | CAE | 0.4° | 0.1° |
CAB | CAA | CAF | CAG | 179.9° | 179.5° |
CAD | CAE | CAF | CAA | 0.0° | 0.0° |
CAD | CAE | CAF | H7 | 180.0° | 180.0° |
CAD | CAE | CAF | CAG | 179.6° | 179.6° |
NAJ | CAA | CAF | CAE | 179.9° | 179.9° |
NAJ | CAA | CAF | CAG | 0.4° | 0.5° |
CAA | NAJ | CAI | CAH | 52.5° | 44.7° |
NAJ | CAA | CAB | H5 | 0.7° | 0.1° |
CAA | NAJ | CAI | H12 | 67.3° | 74.8° |
CAA | NAJ | CAI | H13 | 172.2° | 164.3° |
CAF | CAA | NAJ | CAI | 21.1° | 13.6° |
CAA | CAF | CAE | CAG | 179.6° | 179.6° |
CAA | CAF | CAG | CAH | 12.3° | 20.6° |
CAF | CAA | CAB | H5 | 179.7° | 179.9° |
CAA | CAF | CAE | H7 | 180.0° | 180.0° |
CAA | CAF | CAG | H8 | 133.0° | 99.6° |
CAA | CAF | CAG | H9 | 108.4° | 140.9° |
NAJ | CAI | CAH | H12 | 119.8° | 119.6° |
NAJ | CAI | CAH | H13 | 119.7° | 119.6° |
NAJ | CAI | CAH | CAG | 60.5° | 63.2° |
NAJ | CAI | CAH | H10 | 179.7° | 176.9° |
NAJ | CAI | CAH | H11 | 59.3° | 56.7° |
NAJ | CAI | H12 | H13 | 120.6° | 121.0° |
CAE | CAF | CAG | CAH | 168.2° | 159.8° |
CAF | CAE | CAD | H6 | 178.9° | 179.9° |
CAE | CAF | CAG | H8 | 47.5° | 80.0° |
CAE | CAF | CAG | H9 | 71.1° | 39.5° |
CAF | CAG | CAH | CAI | 42.7° | 51.3° |
CAF | CAG | CAH | H8 | 120.7° | 120.2° |
CAF | CAG | CAH | H9 | 120.7° | 120.3° |
CAG | CAF | CAE | H7 | 0.4° | 0.4° |
CAF | CAG | H8 | H9 | 117.8° | 119.5° |
CAF | CAG | CAH | H10 | 162.6° | 171.1° |
CAF | CAG | CAH | H11 | 77.1° | 68.6° |
CAI | CAH | CAG | H10 | 119.8° | 119.8° |
CAI | CAH | CAG | H11 | 119.8° | 119.9° |
CAI | CAH | CAG | H8 | 163.4° | 68.9° |
CAI | CAH | CAG | H9 | 77.9° | 171.6° |
CAI | CAH | H10 | H11 | 120.6° | 120.3° |
CAH | CAI | H12 | H13 | 120.7° | 120.7° |
CAH | CAG | H8 | H9 | 117.9° | 119.5° |
CAG | CAH | H10 | H11 | 120.5° | 120.3° |
CAG | CAH | CAI | H12 | 59.3° | 56.4° |
CAG | CAH | CAI | H13 | 179.7° | 177.1° |
H2 | CBE | CBD | H3 | 0.1° | 0.0° |
H6 | CAD | CAE | H7 | 1.1° | 0.1° |
H8 | CAG | CAH | H10 | 76.7° | 50.9° |
H8 | CAG | CAH | H11 | 43.6° | 171.2° |
H9 | CAG | CAH | H10 | 41.9° | 68.6° |
H9 | CAG | CAH | H11 | 162.2° | 51.7° |
H10 | CAH | CAI | H12 | 60.5° | 63.5° |
H10 | CAH | CAI | H13 | 59.9° | 57.3° |
H11 | CAH | CAI | H12 | 179.1° | 176.3° |
H11 | CAH | CAI | H13 | 60.5° | 62.9° |
H16 | CAP | CAQ | H17 | 0.4° | 0.0° |
H18 | CAS | CAT | H19 | 0.4° | 0.1° |