9VG
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAD | CBB | doub | 1.24Å | 1.24Å | |
OAF | CAY | sing | 1.37Å | 1.37Å | |
CAQ | CAO | doub | 1.40Å | 1.40Å | Aromatic |
CAQ | CBD | sing | 1.41Å | 1.41Å | Aromatic |
CBB | CBD | sing | 1.41Å | 1.41Å | |
CBB | CBF | sing | 1.41Å | 1.41Å | |
CAY | CBF | doub | 1.40Å | 1.40Å | Aromatic |
CAY | CAS | sing | 1.38Å | 1.38Å | Aromatic |
CAO | CAP | sing | 1.39Å | 1.39Å | Aromatic |
CBD | CBE | doub | 1.41Å | 1.41Å | Aromatic |
CBF | CBG | sing | 1.42Å | 1.42Å | Aromatic |
CAS | CAZ | doub | 1.40Å | 1.40Å | Aromatic |
OAG | CBH | sing | 1.42Å | 1.42Å | |
CAP | CAR | doub | 1.40Å | 1.40Å | Aromatic |
CBE | CAR | sing | 1.41Å | 1.41Å | Aromatic |
CBE | CBC | sing | 1.40Å | 1.40Å | |
CBG | CBC | sing | 1.43Å | 1.43Å | |
CBG | CBA | doub | 1.41Å | 1.41Å | Aromatic |
CAZ | CBA | sing | 1.44Å | 1.44Å | Aromatic |
CAZ | CBK | sing | 1.44Å | 1.44Å | |
CBC | OAE | doub | 1.25Å | 1.25Å | |
CBA | NAT | sing | 1.43Å | 1.43Å | |
CBH | CBK | sing | 1.61Å | 1.61Å | |
CBH | CAJ | sing | 1.51Å | 1.51Å | |
OAV | CBK | sing | 1.45Å | 1.45Å | |
OAV | CBJ | sing | 1.45Å | 1.45Å | |
CBK | CBJ | sing | 1.55Å | 1.55Å | |
CAJ | CAH | trip | 1.25Å | 1.25Å | |
NAT | CBI | sing | 1.48Å | 1.48Å | |
CBJ | CBI | sing | 1.55Å | 1.55Å | |
CBJ | CAX | sing | 1.54Å | 1.54Å | |
CAH | CAL | sing | 1.47Å | 1.47Å | |
CBI | CAK | sing | 1.51Å | 1.51Å | |
CAB | CAX | sing | 1.54Å | 1.54Å | |
CAX | CAN | doub | 1.52Å | 1.52Å | |
CAK | CAI | trip | 1.27Å | 1.27Å | |
CAL | CAM | doub | 1.43Å | 1.43Å | |
CAI | CAM | sing | 1.50Å | 1.50Å | |
CAN | CAW | sing | 1.51Å | 1.51Å | |
CAW | OAC | doub | 1.23Å | 1.23Å | |
CAW | OAU | sing | 1.36Å | 1.36Å | |
OAU | CAA | sing | 1.42Å | 1.42Å | |
CAA | H1 | sing | 1.10Å | 1.10Å | |
CAA | H2 | sing | 1.10Å | 1.10Å | |
CAA | H3 | sing | 1.10Å | 1.10Å | |
CAN | H4 | sing | 1.08Å | 1.08Å | |
CAB | H5 | sing | 1.10Å | 1.10Å | |
CAB | H6 | sing | 1.10Å | 1.10Å | |
CAB | H7 | sing | 1.10Å | 1.10Å | |
CAS | H8 | sing | 1.08Å | 1.08Å | |
OAF | H9 | sing | 0.95Å | 0.95Å | |
CAQ | H10 | sing | 1.08Å | 1.08Å | |
CAO | H11 | sing | 1.08Å | 1.08Å | |
CAP | H12 | sing | 1.08Å | 1.08Å | |
CAR | H13 | sing | 1.08Å | 1.08Å | |
NAT | H14 | sing | 1.00Å | 1.00Å | |
CBI | H15 | sing | 1.10Å | 1.10Å | |
CAM | H16 | sing | 1.08Å | 1.08Å | |
CAL | H18 | sing | 1.08Å | 1.08Å | |
CBH | H20 | sing | 1.10Å | 1.10Å | |
OAG | H21 | sing | 0.95Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAD | CBB | CBD | 120.7° | 120.7° |
OAD | CBB | CBF | 119.7° | 119.7° |
OAF | CAY | CBF | 118.9° | 118.9° |
OAF | CAY | CAS | 119.0° | 119.0° |
CAY | OAF | H9 | 109.5° | 109.5° |
CAO | CAQ | CBD | 121.2° | 121.2° |
CAQ | CAO | CAP | 119.8° | 119.8° |
CAO | CAQ | H10 | 119.4° | 119.4° |
CAQ | CAO | H11 | 120.1° | 120.1° |
CAQ | CBD | CBB | 120.7° | 120.7° |
CAQ | CBD | CBE | 119.0° | 119.0° |
CBD | CAQ | H10 | 119.4° | 119.4° |
CBD | CBB | CBF | 119.6° | 119.6° |
CBB | CBD | CBE | 120.3° | 120.3° |
CBB | CBF | CAY | 120.4° | 120.4° |
CBB | CBF | CBG | 120.3° | 120.3° |
CBF | CAY | CAS | 122.0° | 122.0° |
CAY | CBF | CBG | 119.3° | 119.3° |
CAY | CAS | CAZ | 120.4° | 120.4° |
CAY | CAS | H8 | 119.8° | 119.8° |
CAO | CAP | CAR | 119.7° | 119.7° |
CAP | CAO | H11 | 120.1° | 120.1° |
CAO | CAP | H12 | 120.1° | 120.2° |
CBD | CBE | CAR | 119.4° | 119.4° |
CBD | CBE | CBC | 120.6° | 120.6° |
CBF | CBG | CBC | 119.5° | 119.5° |
CBF | CBG | CBA | 118.6° | 118.6° |
CAS | CAZ | CBA | 118.0° | 118.0° |
CAS | CAZ | CBK | 120.9° | 120.9° |
CAZ | CAS | H8 | 119.8° | 119.8° |
OAG | CBH | CBK | 115.6° | 115.6° |
OAG | CBH | CAJ | 115.2° | 115.2° |
OAG | CBH | H20 | 109.4° | 109.4° |
CBH | OAG | H21 | 109.5° | 109.5° |
CAP | CAR | CBE | 121.0° | 121.0° |
CAR | CAP | H12 | 120.2° | 120.1° |
CAP | CAR | H13 | 119.5° | 119.5° |
CAR | CBE | CBC | 120.0° | 120.0° |
CBE | CAR | H13 | 119.5° | 119.5° |
CBE | CBC | CBG | 119.7° | 119.7° |
CBE | CBC | OAE | 119.0° | 119.0° |
CBC | CBG | CBA | 121.9° | 121.9° |
CBG | CBC | OAE | 121.3° | 121.3° |
CBG | CBA | CAZ | 121.7° | 121.7° |
CBG | CBA | NAT | 118.9° | 118.9° |
CBA | CAZ | CBK | 121.0° | 121.0° |
CAZ | CBA | NAT | 119.4° | 119.4° |
CAZ | CBK | CBH | 118.6° | 118.6° |
CAZ | CBK | OAV | 108.9° | 108.9° |
CAZ | CBK | CBJ | 117.3° | 117.3° |
CBA | NAT | CBI | 117.4° | 117.4° |
CBA | NAT | H14 | 107.5° | 107.5° |
CBK | CBH | CAJ | 100.7° | 100.7° |
CBH | CBK | OAV | 125.5° | 125.5° |
CBH | CBK | CBJ | 115.0° | 115.0° |
CBK | CBH | H20 | 107.1° | 107.1° |
CBH | CAJ | CAH | 177.4° | 177.4° |
CAJ | CBH | H20 | 108.2° | 108.2° |
CBK | OAV | CBJ | 64.8° | 64.8° |
OAV | CBK | CBJ | 57.5° | 57.5° |
OAV | CBJ | CBK | 57.7° | 57.7° |
OAV | CBJ | CBI | 123.5° | 123.5° |
OAV | CBJ | CAX | 112.7° | 112.7° |
CBK | CBJ | CBI | 114.2° | 114.2° |
CBK | CBJ | CAX | 125.6° | 125.6° |
CAJ | CAH | CAL | 176.6° | 176.6° |
NAT | CBI | CBJ | 108.1° | 108.1° |
NAT | CBI | CAK | 112.7° | 112.7° |
CBI | NAT | H14 | 107.5° | 107.5° |
NAT | CBI | H15 | 112.2° | 112.2° |
CBI | CBJ | CAX | 113.0° | 113.0° |
CBJ | CBI | CAK | 100.4° | 100.4° |
CBJ | CBI | H15 | 111.2° | 111.2° |
CBJ | CAX | CAB | 119.5° | 119.5° |
CBJ | CAX | CAN | 119.5° | 119.5° |
CAH | CAL | CAM | 108.2° | 108.2° |
CAH | CAL | H18 | 125.9° | 125.9° |
CBI | CAK | CAI | 177.7° | 177.7° |
CAK | CBI | H15 | 111.6° | 111.6° |
CAB | CAX | CAN | 120.9° | 120.9° |
CAX | CAB | H5 | 109.5° | 109.5° |
CAX | CAB | H6 | 109.5° | 109.5° |
CAX | CAB | H7 | 109.5° | 109.5° |
CAX | CAN | CAW | 124.5° | 124.5° |
CAX | CAN | H4 | 117.7° | 117.8° |
CAK | CAI | CAM | 177.5° | 177.5° |
CAL | CAM | CAI | 110.3° | 110.3° |
CAL | CAM | H16 | 124.9° | 124.9° |
CAM | CAL | H18 | 125.9° | 125.9° |
CAI | CAM | H16 | 124.9° | 124.9° |
CAN | CAW | OAC | 123.5° | 123.5° |
CAN | CAW | OAU | 110.4° | 110.4° |
CAW | CAN | H4 | 117.8° | 117.7° |
OAC | CAW | OAU | 126.0° | 126.0° |
CAW | OAU | CAA | 115.9° | 115.9° |
OAU | CAA | H1 | 109.5° | 109.5° |
OAU | CAA | H2 | 109.4° | 109.4° |
OAU | CAA | H3 | 109.5° | 109.5° |
H1 | CAA | H2 | 109.5° | 109.5° |
H1 | CAA | H3 | 109.5° | 109.5° |
H2 | CAA | H3 | 109.5° | 109.5° |
H5 | CAB | H6 | 109.5° | 109.5° |
H5 | CAB | H7 | 109.5° | 109.5° |
H6 | CAB | H7 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAD | CBB | CBD | CAQ | 0.5° | 0.5° |
OAD | CBB | CBD | CBF | 179.5° | 179.5° |
OAD | CBB | CBF | CAY | 1.1° | 1.1° |
OAD | CBB | CBD | CBE | 179.8° | 179.8° |
OAD | CBB | CBF | CBG | 179.6° | 179.6° |
OAF | CAY | CBF | CBB | 0.1° | 0.1° |
OAF | CAY | CBF | CAS | 179.4° | 179.4° |
OAF | CAY | CBF | CBG | 179.2° | 179.2° |
OAF | CAY | CAS | CAZ | 178.9° | 178.9° |
OAF | CAY | CAS | H8 | 1.1° | 1.1° |
CAO | CAQ | CBD | H10 | 180.0° | 180.0° |
CAO | CAQ | CBD | CBB | 179.7° | 179.7° |
CAQ | CAO | CAP | H11 | 180.0° | 180.0° |
CAO | CAQ | CBD | CBE | 0.4° | 0.4° |
CAQ | CAO | CAP | CAR | 0.0° | 0.0° |
CAQ | CAO | CAP | H12 | 180.0° | 180.0° |
CAQ | CBD | CBB | CBE | 179.3° | 179.3° |
CAQ | CBD | CBB | CBF | 179.9° | 179.9° |
CBD | CAQ | CAO | CAP | 0.4° | 0.4° |
CAQ | CBD | CBE | CAR | 0.0° | 0.0° |
CAQ | CBD | CBE | CBC | 179.0° | 179.0° |
CBD | CAQ | CAO | H11 | 179.7° | 179.6° |
CBD | CBB | CBF | CAY | 178.4° | 178.4° |
CBD | CBB | CBF | CBG | 0.9° | 0.9° |
CBB | CBD | CBE | CAR | 179.3° | 179.3° |
CBB | CBD | CBE | CBC | 0.4° | 0.4° |
CBB | CBD | CAQ | H10 | 0.3° | 0.3° |
CBB | CBF | CAY | CBG | 179.3° | 179.3° |
CBB | CBF | CAY | CAS | 179.5° | 179.5° |
CBF | CBB | CBD | CBE | 0.8° | 0.8° |
CBB | CBF | CBG | CBC | 0.0° | 0.0° |
CBB | CBF | CBG | CBA | 179.8° | 179.8° |
CBF | CAY | CAS | CAZ | 0.6° | 0.6° |
CAY | CBF | CBG | CBC | 179.3° | 179.3° |
CAY | CBF | CBG | CBA | 0.8° | 0.8° |
CBF | CAY | CAS | H8 | 179.5° | 179.5° |
CBF | CAY | OAF | H9 | 0.5° | 0.5° |
CAS | CAY | CBF | CBG | 0.2° | 0.2° |
CAY | CAS | CAZ | H8 | 180.0° | 180.0° |
CAY | CAS | CAZ | CBA | 1.5° | 1.5° |
CAY | CAS | CAZ | CBK | 177.0° | 177.0° |
CAS | CAY | OAF | H9 | 180.0° | 180.0° |
CAO | CAP | CAR | H12 | 180.0° | 180.0° |
CAO | CAP | CAR | CBE | 0.4° | 0.4° |
CAP | CAO | CAQ | H10 | 179.7° | 179.7° |
CAO | CAP | CAR | H13 | 179.6° | 179.6° |
CBD | CBE | CAR | CAP | 0.4° | 0.4° |
CBD | CBE | CAR | CBC | 179.0° | 179.0° |
CBD | CBE | CBC | CBG | 1.3° | 1.3° |
CBD | CBE | CBC | OAE | 179.6° | 179.6° |
CBE | CBD | CAQ | H10 | 179.7° | 179.7° |
CBD | CBE | CAR | H13 | 179.6° | 179.6° |
CBF | CBG | CBC | CBE | 1.1° | 1.1° |
CBF | CBG | CBC | CBA | 179.8° | 179.8° |
CBF | CBG | CBA | CAZ | 1.8° | 1.8° |
CBF | CBG | CBC | OAE | 179.8° | 179.8° |
CBF | CBG | CBA | NAT | 179.7° | 179.7° |
CAS | CAZ | CBA | CBG | 2.2° | 2.2° |
CAS | CAZ | CBA | CBK | 175.5° | 175.5° |
CAS | CAZ | CBA | NAT | 179.4° | 179.4° |
CAS | CAZ | CBK | CBH | 32.0° | 32.0° |
CAS | CAZ | CBK | OAV | 120.3° | 120.3° |
CAS | CAZ | CBK | CBJ | 177.3° | 177.3° |
OAG | CBH | CBK | CAZ | 55.4° | 55.4° |
OAG | CBH | CBK | CAJ | 124.8° | 124.8° |
OAG | CBH | CBK | H20 | 122.2° | 122.2° |
OAG | CBH | CAJ | H20 | 122.7° | 122.7° |
OAG | CBH | CBK | OAV | 91.8° | 91.8° |
OAG | CBH | CBK | CBJ | 158.5° | 158.5° |
OAG | CBH | CAJ | CAH | 170.8° | 170.8° |
CAP | CAR | CBE | H13 | 180.0° | 180.0° |
CAP | CAR | CBE | CBC | 179.3° | 179.3° |
CAR | CAP | CAO | H11 | 180.0° | 180.0° |
CAR | CBE | CBC | CBG | 179.7° | 179.7° |
CAR | CBE | CBC | OAE | 0.6° | 0.6° |
CBE | CAR | CAP | H12 | 179.6° | 179.6° |
CBE | CBC | CBG | OAE | 179.1° | 179.1° |
CBE | CBC | CBG | CBA | 179.0° | 179.0° |
CBC | CBE | CAR | H13 | 0.7° | 0.7° |
CBC | CBG | CBA | CAZ | 178.3° | 178.3° |
CBC | CBG | CBA | NAT | 0.2° | 0.2° |
CBG | CBA | CAZ | NAT | 178.5° | 178.5° |
CBG | CBA | CAZ | CBK | 177.6° | 177.6° |
CBA | CBG | CBC | OAE | 0.1° | 0.1° |
CBG | CBA | NAT | CBI | 149.6° | 149.6° |
CBG | CBA | NAT | H14 | 89.3° | 89.3° |
CBA | CAZ | CBK | CBH | 152.7° | 152.7° |
CBA | CAZ | CBK | OAV | 55.1° | 55.1° |
CBA | CAZ | CBK | CBJ | 7.3° | 7.3° |
CAZ | CBA | NAT | CBI | 29.0° | 29.0° |
CBA | CAZ | CAS | H8 | 178.5° | 178.5° |
CAZ | CBA | NAT | H14 | 92.2° | 92.2° |
CBK | CAZ | CBA | NAT | 3.9° | 3.9° |
CAZ | CBK | CBH | OAV | 147.2° | 147.2° |
CAZ | CBK | CBH | CBJ | 146.1° | 146.1° |
CAZ | CBK | CBH | CAJ | 69.3° | 69.3° |
CAZ | CBK | OAV | CBJ | 110.9° | 110.9° |
CAZ | CBK | CBJ | CBI | 19.6° | 19.6° |
CAZ | CBK | CBJ | CAX | 167.7° | 167.7° |
CBK | CAZ | CAS | H8 | 3.1° | 3.1° |
CAZ | CBK | CBH | H20 | 177.6° | 177.6° |
CBA | NAT | CBI | H14 | 121.1° | 121.1° |
CBA | NAT | CBI | CBJ | 53.5° | 53.5° |
CBA | NAT | CBI | CAK | 56.6° | 56.6° |
CBA | NAT | CBI | H15 | 176.4° | 176.4° |
CBK | CBH | CAJ | H20 | 112.1° | 112.1° |
CBH | CBK | OAV | CBJ | 99.3° | 99.3° |
CBK | CBH | CAJ | CAH | 45.7° | 45.7° |
CBH | CBK | CBJ | CBI | 126.9° | 126.9° |
CBH | CBK | CBJ | CAX | 21.2° | 21.2° |
CBK | CBH | OAG | H21 | 180.0° | 180.0° |
CAJ | CBH | CBK | OAV | 143.5° | 143.5° |
CAJ | CBH | CBK | CBJ | 76.8° | 76.8° |
CBH | CAJ | CAH | CAL | 40.7° | 40.7° |
CAJ | CBH | OAG | H21 | 63.1° | 63.1° |
CBK | OAV | CBJ | CBI | 99.5° | 99.5° |
CBK | OAV | CBJ | CAX | 118.8° | 118.8° |
OAV | CBK | CBH | H20 | 30.4° | 30.4° |
OAV | CBJ | CBI | NAT | 18.5° | 18.5° |
OAV | CBJ | CBI | CAX | 141.7° | 141.7° |
OAV | CBJ | CBI | CAK | 136.7° | 136.7° |
OAV | CBJ | CAX | CAB | 36.8° | 36.8° |
OAV | CBJ | CAX | CAN | 146.8° | 146.8° |
OAV | CBJ | CBI | H15 | 105.1° | 105.1° |
CBK | CBJ | CBI | NAT | 47.7° | 47.7° |
CBK | CBJ | CBI | CAX | 152.2° | 152.2° |
CBK | CBJ | CBI | CAK | 70.5° | 70.5° |
CBK | CBJ | CAX | CAB | 102.5° | 102.5° |
CBK | CBJ | CAX | CAN | 81.1° | 81.1° |
CBK | CBJ | CBI | H15 | 171.2° | 171.2° |
CBJ | CBK | CBH | H20 | 36.3° | 36.3° |
CAJ | CAH | CAL | CAM | 17.6° | 17.6° |
CAJ | CAH | CAL | H18 | 162.4° | 162.4° |
CAH | CAJ | CBH | H20 | 66.5° | 66.5° |
NAT | CBI | CBJ | CAK | 118.2° | 118.2° |
NAT | CBI | CBJ | H15 | 123.5° | 123.5° |
NAT | CBI | CBJ | CAX | 160.2° | 160.2° |
NAT | CBI | CAK | H15 | 127.3° | 127.3° |
NAT | CBI | CAK | CAI | 89.7° | 89.7° |
CBJ | CBI | CAK | H15 | 117.9° | 117.9° |
CBI | CBJ | CAX | CAB | 109.1° | 109.1° |
CBI | CBJ | CAX | CAN | 67.3° | 67.3° |
CBJ | CBI | CAK | CAI | 25.1° | 25.1° |
CBJ | CBI | NAT | H14 | 67.6° | 67.6° |
CAX | CBJ | CBI | CAK | 81.6° | 81.6° |
CBJ | CAX | CAB | CAN | 176.3° | 176.3° |
CBJ | CAX | CAN | CAW | 176.9° | 176.9° |
CBJ | CAX | CAN | H4 | 3.1° | 3.2° |
CBJ | CAX | CAB | H5 | 180.0° | 180.0° |
CBJ | CAX | CAB | H6 | 60.0° | 60.0° |
CBJ | CAX | CAB | H7 | 60.0° | 60.0° |
CAX | CBJ | CBI | H15 | 36.6° | 36.6° |
CAH | CAL | CAM | H18 | 180.0° | 179.9° |
CAH | CAL | CAM | CAI | 2.4° | 2.4° |
CAH | CAL | CAM | H16 | 177.6° | 177.6° |
CBI | CAK | CAI | CAM | 16.2° | 16.2° |
CAK | CBI | NAT | H14 | 177.7° | 177.7° |
CAB | CAX | CAN | CAW | 0.5° | 0.5° |
CAB | CAX | CAN | H4 | 179.5° | 179.5° |
CAX | CAB | H5 | H6 | 120.0° | 120.0° |
CAX | CAB | H5 | H7 | 120.0° | 120.0° |
CAX | CAB | H6 | H7 | 120.0° | 120.0° |
CAX | CAN | CAW | H4 | 180.0° | 180.0° |
CAX | CAN | CAW | OAC | 2.5° | 2.5° |
CAX | CAN | CAW | OAU | 179.1° | 179.1° |
CAN | CAX | CAB | H5 | 3.6° | 3.6° |
CAN | CAX | CAB | H6 | 123.7° | 123.7° |
CAN | CAX | CAB | H7 | 116.3° | 116.3° |
CAK | CAI | CAM | CAL | 12.0° | 12.0° |
CAI | CAK | CBI | H15 | 143.0° | 143.0° |
CAK | CAI | CAM | H16 | 168.0° | 168.0° |
CAL | CAM | CAI | H16 | 180.0° | 180.0° |
CAI | CAM | CAL | H18 | 177.6° | 177.6° |
CAN | CAW | OAC | OAU | 178.2° | 178.2° |
CAN | CAW | OAU | CAA | 162.6° | 162.6° |
OAC | CAW | OAU | CAA | 19.0° | 19.0° |
OAC | CAW | CAN | H4 | 177.5° | 177.4° |
CAW | OAU | CAA | H1 | 180.0° | 180.0° |
CAW | OAU | CAA | H2 | 60.0° | 60.0° |
CAW | OAU | CAA | H3 | 60.0° | 60.0° |
OAU | CAW | CAN | H4 | 0.9° | 1.0° |
OAU | CAA | H1 | H2 | 120.0° | 120.0° |
OAU | CAA | H1 | H3 | 120.0° | 120.0° |
OAU | CAA | H2 | H3 | 120.0° | 120.0° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H5 | CAB | H6 | H7 | 120.0° | 120.0° |
H10 | CAQ | CAO | H11 | 0.3° | 0.4° |
H11 | CAO | CAP | H12 | 0.1° | 0.0° |
H12 | CAP | CAR | H13 | 0.4° | 0.4° |
H14 | NAT | CBI | H15 | 55.3° | 55.3° |
H16 | CAM | CAL | H18 | 2.4° | 2.4° |
H20 | CBH | OAG | H21 | 59.1° | 59.1° |