B7O
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAQ | CAR | sing | 1.53Å | 1.53Å | |
CAQ | OAU | sing | 1.43Å | 1.41Å | |
CAR | OAV | sing | 1.43Å | 1.45Å | |
OAU | CBD | sing | 1.36Å | 1.35Å | |
OAV | CBE | sing | 1.36Å | 1.35Å | |
CBD | CBE | doub | 1.39Å | 1.38Å | Aromatic |
CBD | CAO | sing | 1.39Å | 1.37Å | Aromatic |
CBE | CAP | sing | 1.38Å | 1.39Å | Aromatic |
CAO | CAL | doub | 1.38Å | 1.38Å | Aromatic |
CAL | CBB | sing | 1.40Å | 1.40Å | Aromatic |
CAP | CBB | doub | 1.40Å | 1.39Å | Aromatic |
CBB | CAX | sing | 1.48Å | 1.38Å | |
CAB | CBF | sing | 1.53Å | 1.51Å | |
CAX | OAE | doub | 1.22Å | 1.21Å | |
CAX | NAT | sing | 1.35Å | 1.33Å | |
NAT | CAZ | sing | 1.40Å | 1.31Å | |
CBF | CAC | sing | 1.53Å | 1.51Å | |
CBF | CAA | sing | 1.53Å | 1.53Å | |
CBF | CBC | sing | 1.51Å | 1.39Å | |
CAM | CBC | doub | 1.38Å | 1.37Å | Aromatic |
CAM | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
CAZ | CAI | doub | 1.39Å | 1.35Å | Aromatic |
CAZ | CAH | sing | 1.39Å | 1.39Å | Aromatic |
CBC | CAN | sing | 1.38Å | 1.37Å | Aromatic |
CAI | CAG | sing | 1.38Å | 1.36Å | Aromatic |
CAH | CAF | doub | 1.38Å | 1.41Å | Aromatic |
CAJ | CBA | doub | 1.40Å | 1.38Å | Aromatic |
CAG | CAY | doub | 1.39Å | 1.39Å | Aromatic |
CAN | CAK | doub | 1.38Å | 1.39Å | Aromatic |
CAF | CAY | sing | 1.39Å | 1.39Å | Aromatic |
CAY | NAS | sing | 1.40Å | 1.37Å | |
CBA | CAK | sing | 1.40Å | 1.38Å | Aromatic |
CBA | CAW | sing | 1.48Å | 1.39Å | |
NAS | CAW | sing | 1.35Å | 1.39Å | |
CAW | OAD | doub | 1.22Å | 1.20Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAB | H4 | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.09Å | 1.10Å | |
CAB | H6 | sing | 1.09Å | 1.10Å | |
CAC | H7 | sing | 1.09Å | 1.10Å | |
CAC | H8 | sing | 1.09Å | 1.10Å | |
CAC | H9 | sing | 1.09Å | 1.10Å | |
CAN | H10 | sing | 1.08Å | 1.08Å | |
CAK | H11 | sing | 1.08Å | 1.08Å | |
CAM | H12 | sing | 1.08Å | 1.08Å | |
CAJ | H13 | sing | 1.08Å | 1.08Å | |
NAS | H14 | sing | 0.97Å | 1.00Å | |
CAG | H15 | sing | 1.08Å | 1.08Å | |
CAI | H16 | sing | 1.08Å | 1.08Å | |
CAF | H17 | sing | 1.08Å | 1.08Å | |
CAH | H18 | sing | 1.08Å | 1.08Å | |
NAT | H19 | sing | 0.97Å | 1.00Å | |
CAP | H20 | sing | 1.08Å | 1.08Å | |
CAR | H21 | sing | 1.09Å | 1.10Å | |
CAR | H22 | sing | 1.09Å | 1.10Å | |
CAQ | H23 | sing | 1.09Å | 1.10Å | |
CAQ | H24 | sing | 1.09Å | 1.10Å | |
CAO | H25 | sing | 1.08Å | 1.08Å | |
CAL | H26 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAR | CAQ | OAU | 111.8° | 108.2° |
CAQ | CAR | OAV | 113.3° | 108.2° |
CAQ | CAR | H21 | 108.5° | 109.7° |
CAQ | CAR | H22 | 108.5° | 109.8° |
CAR | CAQ | H23 | 108.9° | 109.8° |
CAR | CAQ | H24 | 108.9° | 109.7° |
CAQ | OAU | CBD | 105.5° | 116.8° |
OAU | CAQ | H23 | 108.9° | 109.7° |
OAU | CAQ | H24 | 108.9° | 109.7° |
CAR | OAV | CBE | 106.9° | 116.7° |
OAV | CAR | H21 | 108.5° | 109.7° |
OAV | CAR | H22 | 108.5° | 109.7° |
OAU | CBD | CBE | 118.4° | 120.6° |
OAU | CBD | CAO | 120.9° | 119.3° |
OAV | CBE | CBD | 116.4° | 120.8° |
OAV | CBE | CAP | 121.9° | 119.3° |
CBE | CBD | CAO | 120.6° | 120.1° |
CBD | CBE | CAP | 121.6° | 119.9° |
CBD | CAO | CAL | 118.5° | 120.2° |
CBD | CAO | H25 | 120.8° | 119.9° |
CBE | CAP | CBB | 118.0° | 119.9° |
CBE | CAP | H20 | 121.0° | 120.0° |
CAO | CAL | CBB | 121.6° | 120.0° |
CAL | CAO | H25 | 120.7° | 119.9° |
CAO | CAL | H26 | 119.2° | 120.0° |
CAL | CBB | CAP | 119.6° | 119.8° |
CAL | CBB | CAX | 120.6° | 120.1° |
CBB | CAL | H26 | 119.2° | 120.1° |
CAP | CBB | CAX | 119.8° | 120.1° |
CBB | CAP | H20 | 121.0° | 120.1° |
CBB | CAX | OAE | 118.5° | 120.0° |
CBB | CAX | NAT | 113.4° | 120.0° |
CAB | CBF | CAC | 105.1° | 109.5° |
CAB | CBF | CAA | 107.3° | 109.5° |
CAB | CBF | CBC | 111.6° | 109.5° |
CBF | CAB | H4 | 109.5° | 109.5° |
CBF | CAB | H5 | 109.4° | 109.5° |
CBF | CAB | H6 | 109.5° | 109.4° |
OAE | CAX | NAT | 127.6° | 120.0° |
CAX | NAT | CAZ | 130.3° | 120.0° |
CAX | NAT | H19 | 114.9° | 120.0° |
NAT | CAZ | CAI | 108.4° | 120.0° |
NAT | CAZ | CAH | 133.2° | 120.0° |
CAZ | NAT | H19 | 114.8° | 120.0° |
CAC | CBF | CAA | 112.0° | 109.5° |
CAC | CBF | CBC | 106.1° | 109.5° |
CBF | CAC | H7 | 109.5° | 109.4° |
CBF | CAC | H8 | 109.5° | 109.5° |
CBF | CAC | H9 | 109.5° | 109.5° |
CAA | CBF | CBC | 114.4° | 109.4° |
CBF | CAA | H1 | 109.5° | 109.4° |
CBF | CAA | H2 | 109.5° | 109.5° |
CBF | CAA | H3 | 109.5° | 109.5° |
CBF | CBC | CAM | 120.1° | 119.9° |
CBF | CBC | CAN | 122.2° | 119.9° |
CBC | CAM | CAJ | 121.4° | 120.2° |
CAM | CBC | CAN | 117.7° | 120.2° |
CBC | CAM | H12 | 119.3° | 119.9° |
CAM | CAJ | CBA | 120.8° | 119.8° |
CAJ | CAM | H12 | 119.3° | 119.9° |
CAM | CAJ | H13 | 119.6° | 120.1° |
CAI | CAZ | CAH | 118.4° | 120.0° |
CAZ | CAI | CAG | 117.7° | 119.9° |
CAZ | CAI | H16 | 121.2° | 120.0° |
CAZ | CAH | CAF | 122.3° | 120.1° |
CAZ | CAH | H18 | 118.9° | 120.0° |
CBC | CAN | CAK | 121.2° | 120.2° |
CBC | CAN | H10 | 119.3° | 119.9° |
CAI | CAG | CAY | 128.5° | 120.1° |
CAI | CAG | H15 | 115.7° | 119.9° |
CAG | CAI | H16 | 121.1° | 120.0° |
CAH | CAF | CAY | 120.3° | 120.0° |
CAH | CAF | H17 | 119.9° | 120.1° |
CAF | CAH | H18 | 118.9° | 120.0° |
CAJ | CBA | CAK | 117.7° | 119.7° |
CAJ | CBA | CAW | 121.0° | 120.1° |
CBA | CAJ | H13 | 119.6° | 120.1° |
CAG | CAY | CAF | 112.7° | 120.0° |
CAG | CAY | NAS | 123.5° | 120.0° |
CAY | CAG | H15 | 115.7° | 120.0° |
CAN | CAK | CBA | 121.1° | 119.8° |
CAK | CAN | H10 | 119.4° | 119.9° |
CAN | CAK | H11 | 119.5° | 120.1° |
CAF | CAY | NAS | 123.7° | 120.0° |
CAY | CAF | H17 | 119.8° | 119.9° |
CAY | NAS | CAW | 126.3° | 120.0° |
CAY | NAS | H14 | 116.9° | 120.0° |
CAK | CBA | CAW | 121.3° | 120.1° |
CBA | CAK | H11 | 119.5° | 120.1° |
CBA | CAW | NAS | 121.1° | 120.0° |
CBA | CAW | OAD | 116.5° | 120.0° |
NAS | CAW | OAD | 122.0° | 120.0° |
CAW | NAS | H14 | 116.9° | 120.0° |
H1 | CAA | H2 | 109.4° | 109.4° |
H1 | CAA | H3 | 109.4° | 109.5° |
H2 | CAA | H3 | 109.5° | 109.5° |
H4 | CAB | H5 | 109.5° | 109.5° |
H4 | CAB | H6 | 109.5° | 109.4° |
H5 | CAB | H6 | 109.5° | 109.5° |
H7 | CAC | H8 | 109.4° | 109.5° |
H7 | CAC | H9 | 109.5° | 109.5° |
H8 | CAC | H9 | 109.5° | 109.5° |
H21 | CAR | H22 | 109.5° | 109.7° |
H23 | CAQ | H24 | 109.5° | 109.7° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAR | CAQ | OAU | H23 | 120.4° | 119.8° |
CAR | CAQ | OAU | H24 | 120.4° | 119.6° |
CAQ | CAR | OAV | H21 | 120.5° | 119.6° |
CAQ | CAR | OAV | H22 | 120.6° | 119.7° |
CAR | CAQ | OAU | CBD | 53.4° | 46.4° |
CAQ | CAR | OAV | CBE | 46.9° | 46.2° |
CAQ | CAR | H21 | H22 | 118.3° | 120.7° |
CAR | CAQ | H23 | H24 | 119.0° | 120.6° |
OAU | CAQ | CAR | OAV | 4.8° | 59.9° |
CAQ | OAU | CBD | CBE | 54.9° | 17.3° |
CAQ | OAU | CBD | CAO | 124.9° | 162.7° |
OAU | CAQ | CAR | H21 | 125.4° | 179.5° |
OAU | CAQ | CAR | H22 | 115.7° | 59.8° |
OAU | CAQ | H23 | H24 | 118.9° | 120.6° |
CAR | OAV | CBE | CBD | 51.2° | 17.1° |
CAR | OAV | CBE | CAP | 128.6° | 163.0° |
OAV | CAR | H21 | H22 | 118.3° | 120.6° |
OAV | CAR | CAQ | H23 | 125.2° | 59.9° |
OAV | CAR | CAQ | H24 | 115.5° | 179.5° |
OAU | CBD | CBE | OAV | 0.4° | 0.3° |
OAU | CBD | CBE | CAO | 179.8° | 180.0° |
OAU | CBD | CBE | CAP | 179.8° | 179.8° |
OAU | CBD | CAO | CAL | 179.9° | 179.6° |
CBD | OAU | CAQ | H23 | 173.7° | 73.3° |
CBD | OAU | CAQ | H24 | 67.0° | 166.1° |
OAU | CBD | CAO | H25 | 0.1° | 0.2° |
OAV | CBE | CBD | CAP | 179.8° | 179.9° |
OAV | CBE | CBD | CAO | 179.5° | 179.7° |
OAV | CBE | CAP | CBB | 179.9° | 179.8° |
OAV | CBE | CAP | H20 | 0.0° | 0.2° |
CBE | OAV | CAR | H21 | 73.6° | 165.8° |
CBE | OAV | CAR | H22 | 167.5° | 73.6° |
CBE | CBD | CAO | CAL | 0.1° | 0.4° |
CBD | CBE | CAP | CBB | 0.1° | 0.1° |
CBD | CBE | CAP | H20 | 179.8° | 179.9° |
CBE | CBD | CAO | H25 | 179.9° | 179.9° |
CAO | CBD | CBE | CAP | 0.3° | 0.2° |
CBD | CAO | CAL | H25 | 180.0° | 179.7° |
CBD | CAO | CAL | CBB | 0.7° | 0.5° |
CBD | CAO | CAL | H26 | 179.3° | 179.9° |
CBE | CAP | CBB | CAL | 0.9° | 0.2° |
CBE | CAP | CBB | H20 | 180.0° | 180.0° |
CBE | CAP | CBB | CAX | 178.6° | 179.9° |
CAO | CAL | CBB | H26 | 180.0° | 179.5° |
CAO | CAL | CBB | CAP | 1.2° | 0.4° |
CAO | CAL | CBB | CAX | 178.8° | 179.8° |
CAL | CBB | CAP | CAX | 177.7° | 179.8° |
CAL | CBB | CAX | OAE | 168.7° | 179.8° |
CAL | CBB | CAX | NAT | 3.8° | 0.3° |
CAL | CBB | CAP | H20 | 179.1° | 179.8° |
CBB | CAL | CAO | H25 | 179.3° | 179.7° |
CAP | CBB | CAX | OAE | 9.0° | 0.0° |
CAP | CBB | CAX | NAT | 178.5° | 180.0° |
CAP | CBB | CAL | H26 | 178.8° | 179.9° |
CBB | CAX | OAE | NAT | 171.2° | 180.0° |
CBB | CAX | NAT | CAZ | 178.8° | 175.4° |
CBB | CAX | NAT | H19 | 1.2° | 4.6° |
CAX | CBB | CAP | H20 | 1.4° | 0.1° |
CAX | CBB | CAL | H26 | 1.1° | 0.3° |
CAB | CBF | CAC | CAA | 116.2° | 120.0° |
CAB | CBF | CAC | CBC | 118.3° | 120.0° |
CAB | CBF | CAA | CBC | 124.4° | 120.0° |
CAB | CBF | CBC | CAM | 4.9° | 0.3° |
CAB | CBF | CBC | CAN | 172.0° | 180.0° |
CAB | CBF | CAA | H1 | 180.0° | 60.0° |
CAB | CBF | CAA | H2 | 60.0° | 59.9° |
CAB | CBF | CAA | H3 | 60.0° | 180.0° |
CBF | CAB | H4 | H5 | 120.0° | 120.1° |
CBF | CAB | H4 | H6 | 120.0° | 120.0° |
CBF | CAB | H5 | H6 | 120.0° | 120.0° |
CAB | CBF | CAC | H7 | 180.0° | 180.0° |
CAB | CBF | CAC | H8 | 60.0° | 60.0° |
CAB | CBF | CAC | H9 | 60.0° | 60.0° |
OAE | CAX | NAT | CAZ | 7.2° | 4.6° |
OAE | CAX | NAT | H19 | 172.8° | 175.4° |
CAX | NAT | CAZ | H19 | 180.0° | 180.0° |
CAX | NAT | CAZ | CAI | 167.4° | 35.7° |
CAX | NAT | CAZ | CAH | 15.5° | 144.0° |
NAT | CAZ | CAI | CAH | 177.6° | 179.7° |
NAT | CAZ | CAI | CAG | 179.4° | 179.9° |
NAT | CAZ | CAH | CAF | 178.8° | 179.9° |
NAT | CAZ | CAI | H16 | 0.6° | 0.0° |
NAT | CAZ | CAH | H18 | 1.1° | 0.0° |
CAC | CBF | CAA | CBC | 120.7° | 120.0° |
CAC | CBF | CBC | CAM | 118.9° | 120.2° |
CAC | CBF | CBC | CAN | 58.0° | 60.0° |
CAC | CBF | CAA | H1 | 65.1° | 60.0° |
CAC | CBF | CAA | H2 | 54.9° | 180.0° |
CAC | CBF | CAA | H3 | 174.9° | 60.0° |
CAC | CBF | CAB | H4 | 180.0° | 59.9° |
CAC | CBF | CAB | H5 | 60.0° | 180.0° |
CAC | CBF | CAB | H6 | 60.0° | 60.0° |
CBF | CAC | H7 | H8 | 120.0° | 120.0° |
CBF | CAC | H7 | H9 | 120.0° | 120.0° |
CBF | CAC | H8 | H9 | 120.0° | 120.0° |
CAA | CBF | CBC | CAM | 117.1° | 119.8° |
CAA | CBF | CBC | CAN | 66.0° | 60.0° |
CBF | CAA | H1 | H2 | 120.0° | 120.0° |
CBF | CAA | H1 | H3 | 120.0° | 120.0° |
CBF | CAA | H2 | H3 | 120.0° | 120.1° |
CAA | CBF | CAB | H4 | 60.6° | 180.0° |
CAA | CBF | CAB | H5 | 59.4° | 60.0° |
CAA | CBF | CAB | H6 | 179.4° | 60.0° |
CAA | CBF | CAC | H7 | 63.8° | 60.0° |
CAA | CBF | CAC | H8 | 176.2° | 180.0° |
CAA | CBF | CAC | H9 | 56.2° | 60.0° |
CBF | CBC | CAM | CAN | 177.0° | 179.8° |
CBF | CBC | CAM | CAJ | 179.8° | 180.0° |
CBF | CBC | CAN | CAK | 178.6° | 180.0° |
CBC | CBF | CAA | H1 | 55.6° | 180.0° |
CBC | CBF | CAA | H2 | 175.6° | 60.1° |
CBC | CBF | CAA | H3 | 64.4° | 60.0° |
CBC | CBF | CAB | H4 | 65.5° | 60.0° |
CBC | CBF | CAB | H5 | 174.6° | 60.0° |
CBC | CBF | CAB | H6 | 54.5° | 180.0° |
CBC | CBF | CAC | H7 | 61.7° | 60.0° |
CBC | CBF | CAC | H8 | 58.3° | 60.0° |
CBC | CBF | CAC | H9 | 178.3° | 180.0° |
CBF | CBC | CAN | H10 | 1.4° | 0.0° |
CBF | CBC | CAM | H12 | 0.2° | 0.1° |
CBC | CAM | CAJ | H12 | 180.0° | 179.9° |
CBC | CAM | CAJ | CBA | 2.6° | 0.0° |
CAM | CBC | CAN | CAK | 1.6° | 0.3° |
CAM | CBC | CAN | H10 | 178.4° | 179.8° |
CBC | CAM | CAJ | H13 | 177.3° | 179.9° |
CAJ | CAM | CBC | CAN | 2.8° | 0.2° |
CAM | CAJ | CBA | H13 | 180.0° | 180.0° |
CAM | CAJ | CBA | CAK | 1.2° | 0.3° |
CAM | CAJ | CBA | CAW | 175.8° | 180.0° |
CAZ | CAI | CAG | H16 | 180.0° | 179.9° |
CAI | CAZ | CAH | CAF | 2.0° | 0.4° |
CAZ | CAI | CAG | CAY | 4.4° | 0.1° |
CAZ | CAI | CAG | H15 | 175.6° | 180.0° |
CAI | CAZ | CAH | H18 | 178.0° | 179.7° |
CAI | CAZ | NAT | H19 | 12.5° | 144.3° |
CAH | CAZ | CAI | CAG | 3.0° | 0.4° |
CAZ | CAH | CAF | H18 | 180.0° | 180.0° |
CAZ | CAH | CAF | CAY | 1.8° | 0.0° |
CAH | CAZ | CAI | H16 | 176.9° | 179.7° |
CAZ | CAH | CAF | H17 | 178.2° | 180.0° |
CAH | CAZ | NAT | H19 | 164.5° | 36.0° |
CBC | CAN | CAK | H10 | 180.0° | 179.9° |
CBC | CAN | CAK | CBA | 0.3° | 0.0° |
CBC | CAN | CAK | H11 | 179.7° | 180.0° |
CAN | CBC | CAM | H12 | 177.2° | 179.7° |
CAI | CAG | CAY | H15 | 180.0° | 180.0° |
CAI | CAG | CAY | CAF | 4.0° | 0.3° |
CAI | CAG | CAY | NAS | 179.1° | 180.0° |
CAH | CAF | CAY | CAG | 2.5° | 0.3° |
CAH | CAF | CAY | H17 | 180.0° | 179.9° |
CAH | CAF | CAY | NAS | 179.4° | 180.0° |
CAJ | CBA | CAK | CAN | 0.0° | 0.2° |
CAJ | CBA | CAK | CAW | 177.0° | 179.8° |
CAJ | CBA | CAW | NAS | 61.3° | 180.0° |
CAJ | CBA | CAW | OAD | 124.8° | 0.0° |
CAJ | CBA | CAK | H11 | 180.0° | 179.8° |
CBA | CAJ | CAM | H12 | 177.3° | 179.9° |
CAG | CAY | CAF | NAS | 176.9° | 179.7° |
CAG | CAY | NAS | CAW | 25.3° | 146.7° |
CAG | CAY | NAS | H14 | 154.7° | 33.3° |
CAY | CAG | CAI | H16 | 175.6° | 180.0° |
CAG | CAY | CAF | H17 | 177.5° | 179.7° |
CAN | CAK | CBA | H11 | 180.0° | 180.0° |
CAN | CAK | CBA | CAW | 176.9° | 180.0° |
CAF | CAY | NAS | CAW | 158.1° | 33.6° |
CAF | CAY | NAS | H14 | 21.9° | 146.4° |
CAF | CAY | CAG | H15 | 176.0° | 179.7° |
CAY | CAF | CAH | H18 | 178.2° | 180.0° |
CAY | NAS | CAW | CBA | 1.7° | 174.9° |
CAY | NAS | CAW | H14 | 180.0° | 180.0° |
CAY | NAS | CAW | OAD | 175.2° | 5.1° |
NAS | CAY | CAG | H15 | 0.9° | 0.0° |
NAS | CAY | CAF | H17 | 0.6° | 0.0° |
CAK | CBA | CAW | NAS | 115.6° | 0.3° |
CAK | CBA | CAW | OAD | 58.3° | 179.7° |
CBA | CAK | CAN | H10 | 179.7° | 180.0° |
CAK | CBA | CAJ | H13 | 178.8° | 179.7° |
CBA | CAW | NAS | OAD | 173.5° | 180.0° |
CAW | CBA | CAK | H11 | 3.1° | 0.0° |
CAW | CBA | CAJ | H13 | 4.2° | 0.1° |
CBA | CAW | NAS | H14 | 178.3° | 5.1° |
OAD | CAW | NAS | H14 | 4.8° | 174.9° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H4 | CAB | H5 | H6 | 120.0° | 120.0° |
H7 | CAC | H8 | H9 | 120.0° | 120.0° |
H10 | CAN | CAK | H11 | 0.3° | 0.0° |
H12 | CAM | CAJ | H13 | 2.7° | 0.0° |
H15 | CAG | CAI | H16 | 4.5° | 0.0° |
H17 | CAF | CAH | H18 | 1.8° | 0.1° |
H21 | CAR | CAQ | H23 | 114.3° | 59.8° |
H21 | CAR | CAQ | H24 | 5.0° | 60.8° |
H22 | CAR | CAQ | H23 | 4.6° | 179.6° |
H22 | CAR | CAQ | H24 | 123.9° | 59.8° |
H25 | CAO | CAL | H26 | 0.7° | 0.2° |