9EU
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAI | CAN | doub | 1.38Å | 1.39Å | Aromatic |
CAI | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAN | CBF | sing | 1.39Å | 1.35Å | Aromatic |
OAF | CAW | doub | 1.22Å | 1.24Å | |
CAD | NBH | sing | 1.47Å | 1.47Å | |
CAK | CBA | doub | 1.39Å | 1.40Å | Aromatic |
CAW | NBH | sing | 1.35Å | 1.37Å | |
CAW | NBI | sing | 1.35Å | 1.36Å | |
NBH | CAC | sing | 1.46Å | 1.47Å | |
CBF | NBI | sing | 1.39Å | 1.34Å | Aromatic |
CBF | CBG | doub | 1.40Å | 1.36Å | Aromatic |
NBI | CAR | sing | 1.36Å | 1.33Å | Aromatic |
CBA | CBG | sing | 1.40Å | 1.36Å | Aromatic |
CBA | CAH | sing | 1.43Å | 1.41Å | |
CBG | CBC | sing | 1.47Å | 1.36Å | Aromatic |
CAR | CBC | doub | 1.36Å | 1.33Å | Aromatic |
CAH | CAA | trip | 1.17Å | 1.11Å | |
CBC | CAV | sing | 1.47Å | 1.36Å | |
CAV | OAE | doub | 1.22Å | 1.24Å | |
CAV | CAZ | sing | 1.48Å | 1.42Å | |
CAQ | CAZ | doub | 1.40Å | 1.41Å | Aromatic |
CAQ | CAY | sing | 1.38Å | 1.40Å | Aromatic |
CAZ | CAL | sing | 1.40Å | 1.41Å | Aromatic |
FAG | CAY | sing | 1.35Å | 1.31Å | |
CAY | CBB | doub | 1.39Å | 1.40Å | Aromatic |
CAL | CAM | doub | 1.38Å | 1.40Å | Aromatic |
CBB | CAM | sing | 1.38Å | 1.40Å | Aromatic |
CBB | CAS | sing | 1.51Å | 1.40Å | |
CAS | NBJ | sing | 1.47Å | 1.51Å | |
NBJ | CBE | sing | 1.38Å | 1.35Å | Aromatic |
NBJ | CAX | sing | 1.36Å | 1.34Å | Aromatic |
CAO | CBE | doub | 1.39Å | 1.35Å | Aromatic |
CAO | CAJ | sing | 1.38Å | 1.39Å | Aromatic |
CAB | CAX | sing | 1.51Å | 1.53Å | |
CBE | CBD | sing | 1.41Å | 1.35Å | Aromatic |
CAX | NAU | doub | 1.30Å | 1.33Å | Aromatic |
CAJ | NAT | doub | 1.32Å | 1.40Å | Aromatic |
CBD | NAU | sing | 1.36Å | 1.33Å | Aromatic |
CBD | CAP | doub | 1.39Å | 1.34Å | Aromatic |
NAT | CAP | sing | 1.32Å | 1.41Å | Aromatic |
CAB | H1 | sing | 1.09Å | 1.10Å | |
CAB | H2 | sing | 1.09Å | 1.10Å | |
CAB | H3 | sing | 1.09Å | 1.10Å | |
CAP | H4 | sing | 1.08Å | 1.08Å | |
CAJ | H5 | sing | 1.08Å | 1.08Å | |
CAO | H6 | sing | 1.08Å | 1.08Å | |
CAS | H7 | sing | 1.09Å | 1.10Å | |
CAS | H8 | sing | 1.09Å | 1.10Å | |
CAQ | H9 | sing | 1.08Å | 1.08Å | |
CAM | H10 | sing | 1.08Å | 1.08Å | |
CAL | H11 | sing | 1.08Å | 1.08Å | |
CAR | H12 | sing | 1.08Å | 1.08Å | |
CAA | H13 | sing | 1.05Å | 1.06Å | |
CAK | H14 | sing | 1.08Å | 1.08Å | |
CAI | H15 | sing | 1.08Å | 1.08Å | |
CAN | H16 | sing | 1.08Å | 1.08Å | |
CAC | H17 | sing | 1.09Å | 1.10Å | |
CAC | H18 | sing | 1.09Å | 1.10Å | |
CAC | H19 | sing | 1.09Å | 1.10Å | |
CAD | H20 | sing | 1.09Å | 1.10Å | |
CAD | H21 | sing | 1.09Å | 1.10Å | |
CAD | H22 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAN | CAI | CAK | 117.7° | 120.8° |
CAI | CAN | CBF | 121.7° | 120.2° |
CAN | CAI | H15 | 121.2° | 119.6° |
CAI | CAN | H16 | 119.2° | 119.9° |
CAI | CAK | CBA | 119.3° | 120.1° |
CAI | CAK | H14 | 120.4° | 120.0° |
CAK | CAI | H15 | 121.1° | 119.6° |
CAN | CBF | NBI | 130.2° | 133.0° |
CAN | CBF | CBG | 121.1° | 119.5° |
CBF | CAN | H16 | 119.2° | 119.9° |
OAF | CAW | NBH | 120.3° | 120.0° |
OAF | CAW | NBI | 118.3° | 119.9° |
CAD | NBH | CAW | 118.9° | 120.0° |
CAD | NBH | CAC | 119.9° | 120.0° |
NBH | CAD | H20 | 109.5° | 109.5° |
NBH | CAD | H21 | 109.5° | 109.5° |
NBH | CAD | H22 | 109.4° | 109.5° |
CAK | CBA | CBG | 120.8° | 119.4° |
CAK | CBA | CAH | 115.7° | 120.3° |
CBA | CAK | H14 | 120.3° | 119.9° |
NBH | CAW | NBI | 120.9° | 120.0° |
CAW | NBH | CAC | 121.1° | 120.0° |
CAW | NBI | CBF | 128.2° | 124.9° |
CAW | NBI | CAR | 122.3° | 124.9° |
NBH | CAC | H17 | 109.5° | 109.5° |
NBH | CAC | H18 | 109.4° | 109.5° |
NBH | CAC | H19 | 109.5° | 109.5° |
NBI | CBF | CBG | 108.7° | 107.5° |
CBF | NBI | CAR | 107.3° | 110.2° |
CBF | CBG | CBA | 119.4° | 120.0° |
CBF | CBG | CBC | 105.9° | 106.1° |
NBI | CAR | CBC | 109.0° | 109.7° |
NBI | CAR | H12 | 125.5° | 125.2° |
CBG | CBA | CAH | 123.4° | 120.3° |
CBA | CBG | CBC | 134.6° | 133.9° |
CBA | CAH | CAA | 179.4° | 180.0° |
CBG | CBC | CAR | 108.0° | 106.6° |
CBG | CBC | CAV | 128.7° | 126.7° |
CAR | CBC | CAV | 121.2° | 126.7° |
CBC | CAR | H12 | 125.5° | 125.1° |
CAH | CAA | H13 | 180.0° | 180.0° |
CBC | CAV | OAE | 120.2° | 120.0° |
CBC | CAV | CAZ | 119.0° | 120.0° |
OAE | CAV | CAZ | 119.9° | 120.0° |
CAV | CAZ | CAQ | 122.6° | 120.1° |
CAV | CAZ | CAL | 118.7° | 120.1° |
CAZ | CAQ | CAY | 120.0° | 119.8° |
CAQ | CAZ | CAL | 118.7° | 119.7° |
CAZ | CAQ | H9 | 120.0° | 120.1° |
CAQ | CAY | FAG | 119.7° | 120.0° |
CAQ | CAY | CBB | 120.8° | 120.1° |
CAY | CAQ | H9 | 120.0° | 120.1° |
CAZ | CAL | CAM | 121.3° | 119.9° |
CAZ | CAL | H11 | 119.4° | 120.1° |
FAG | CAY | CBB | 119.5° | 120.0° |
CAY | CBB | CAM | 119.7° | 120.3° |
CAY | CBB | CAS | 118.6° | 119.9° |
CAL | CAM | CBB | 119.5° | 120.2° |
CAL | CAM | H10 | 120.2° | 119.9° |
CAM | CAL | H11 | 119.4° | 120.1° |
CAM | CBB | CAS | 121.4° | 119.8° |
CBB | CAM | H10 | 120.2° | 119.9° |
CBB | CAS | NBJ | 115.2° | 109.5° |
CBB | CAS | H7 | 108.0° | 109.5° |
CBB | CAS | H8 | 108.0° | 109.4° |
CAS | NBJ | CBE | 126.9° | 126.3° |
CAS | NBJ | CAX | 126.2° | 126.4° |
NBJ | CAS | H7 | 108.0° | 109.5° |
NBJ | CAS | H8 | 108.0° | 109.5° |
CBE | NBJ | CAX | 106.7° | 107.3° |
NBJ | CBE | CAO | 131.1° | 135.2° |
NBJ | CBE | CBD | 107.7° | 106.1° |
NBJ | CAX | CAB | 126.6° | 124.9° |
NBJ | CAX | NAU | 109.8° | 110.2° |
CBE | CAO | CAJ | 121.0° | 118.8° |
CAO | CBE | CBD | 121.1° | 118.6° |
CBE | CAO | H6 | 119.5° | 120.6° |
CAO | CAJ | NAT | 117.3° | 121.3° |
CAO | CAJ | H5 | 121.3° | 119.4° |
CAJ | CAO | H6 | 119.5° | 120.6° |
CAB | CAX | NAU | 123.5° | 125.0° |
CAX | CAB | H1 | 109.5° | 109.5° |
CAX | CAB | H2 | 109.5° | 109.5° |
CAX | CAB | H3 | 109.4° | 109.4° |
CBE | CBD | NAU | 108.3° | 106.8° |
CBE | CBD | CAP | 121.2° | 118.7° |
CAX | NAU | CBD | 107.4° | 109.6° |
CAJ | NAT | CAP | 119.8° | 122.4° |
NAT | CAJ | H5 | 121.3° | 119.3° |
NAU | CBD | CAP | 130.5° | 134.5° |
CBD | CAP | NAT | 119.5° | 120.3° |
CBD | CAP | H4 | 120.3° | 119.9° |
NAT | CAP | H4 | 120.2° | 119.9° |
H1 | CAB | H2 | 109.5° | 109.5° |
H1 | CAB | H3 | 109.5° | 109.4° |
H2 | CAB | H3 | 109.5° | 109.5° |
H7 | CAS | H8 | 109.5° | 109.5° |
H17 | CAC | H18 | 109.5° | 109.4° |
H17 | CAC | H19 | 109.5° | 109.5° |
H18 | CAC | H19 | 109.4° | 109.4° |
H20 | CAD | H21 | 109.5° | 109.5° |
H20 | CAD | H22 | 109.5° | 109.5° |
H21 | CAD | H22 | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAN | CAI | CAK | H15 | 180.0° | 179.9° |
CAI | CAN | CBF | H16 | 180.0° | 179.9° |
CAN | CAI | CAK | CBA | 0.0° | 0.1° |
CAI | CAN | CBF | NBI | 177.3° | 179.8° |
CAI | CAN | CBF | CBG | 0.9° | 0.1° |
CAN | CAI | CAK | H14 | 180.0° | 179.9° |
CAK | CAI | CAN | CBF | 0.4° | 0.1° |
CAI | CAK | CBA | H14 | 180.0° | 180.0° |
CAI | CAK | CBA | CBG | 0.3° | 0.0° |
CAI | CAK | CBA | CAH | 178.7° | 180.0° |
CAK | CAI | CAN | H16 | 179.6° | 180.0° |
CAN | CBF | NBI | CAW | 12.8° | 0.1° |
CAN | CBF | NBI | CBG | 178.4° | 179.7° |
CAN | CBF | NBI | CAR | 175.7° | 179.8° |
CAN | CBF | CBG | CBA | 1.1° | 0.1° |
CAN | CBF | CBG | CBC | 177.9° | 179.9° |
CBF | CAN | CAI | H15 | 179.6° | 180.0° |
OAF | CAW | NBH | CAD | 2.9° | 175.0° |
OAF | CAW | NBH | NBI | 171.5° | 179.9° |
OAF | CAW | NBH | CAC | 178.8° | 5.1° |
OAF | CAW | NBI | CBF | 44.3° | 53.9° |
OAF | CAW | NBI | CAR | 116.3° | 126.0° |
CAD | NBH | CAW | CAC | 178.3° | 179.9° |
CAD | NBH | CAW | NBI | 174.4° | 5.0° |
CAD | NBH | CAC | H17 | 180.0° | 90.0° |
CAD | NBH | CAC | H18 | 60.0° | 29.9° |
CAD | NBH | CAC | H19 | 60.0° | 149.9° |
NBH | CAD | H20 | H21 | 120.0° | 120.0° |
NBH | CAD | H20 | H22 | 120.0° | 120.0° |
NBH | CAD | H21 | H22 | 120.0° | 120.0° |
CAK | CBA | CBG | CBF | 0.8° | 0.0° |
CAK | CBA | CBG | CAH | 178.9° | 180.0° |
CAK | CBA | CBG | CBC | 176.5° | 180.0° |
CAK | CBA | CAH | CAA | 28.7° | 18.3° |
CBA | CAK | CAI | H15 | 179.9° | 180.0° |
NBH | CAW | NBI | CBF | 144.0° | 126.1° |
NBH | CAW | NBI | CAR | 55.4° | 54.0° |
CAW | NBH | CAC | H17 | 1.7° | 90.1° |
CAW | NBH | CAC | H18 | 118.3° | 150.0° |
CAW | NBH | CAC | H19 | 121.7° | 30.0° |
CAW | NBH | CAD | H20 | 180.0° | 65.4° |
CAW | NBH | CAD | H21 | 60.0° | 174.5° |
CAW | NBH | CAD | H22 | 60.0° | 54.6° |
NBI | CAW | NBH | CAC | 7.3° | 175.0° |
CAW | NBI | CBF | CAR | 162.9° | 179.9° |
CAW | NBI | CBF | CBG | 168.8° | 179.9° |
CAW | NBI | CAR | CBC | 174.5° | 180.0° |
CAW | NBI | CAR | H12 | 5.5° | 0.0° |
NBH | CAC | H17 | H18 | 120.0° | 120.0° |
NBH | CAC | H17 | H19 | 120.0° | 120.1° |
NBH | CAC | H18 | H19 | 120.0° | 120.1° |
CAC | NBH | CAD | H20 | 1.6° | 114.5° |
CAC | NBH | CAD | H21 | 118.4° | 5.6° |
CAC | NBH | CAD | H22 | 121.7° | 125.5° |
NBI | CBF | CBG | CBA | 177.5° | 179.8° |
NBI | CBF | CBG | CBC | 0.7° | 0.2° |
CBF | NBI | CAR | CBC | 10.4° | 0.1° |
CBF | NBI | CAR | H12 | 169.7° | 179.9° |
NBI | CBF | CAN | H16 | 2.7° | 0.3° |
CBG | CBF | NBI | CAR | 5.9° | 0.0° |
CBF | CBG | CBA | CBC | 175.7° | 180.0° |
CBF | CBG | CBA | CAH | 178.1° | 180.0° |
CBF | CBG | CBC | CAR | 7.0° | 0.2° |
CBF | CBG | CBC | CAV | 170.1° | 180.0° |
CBG | CBF | CAN | H16 | 179.1° | 180.0° |
NBI | CAR | CBC | CBG | 10.9° | 0.2° |
NBI | CAR | CBC | H12 | 180.0° | 179.9° |
NBI | CAR | CBC | CAV | 175.5° | 180.0° |
CBA | CBG | CBC | CAR | 176.9° | 179.8° |
CBG | CBA | CAH | CAA | 152.4° | 161.7° |
CBA | CBG | CBC | CAV | 13.8° | 0.0° |
CBG | CBA | CAK | H14 | 179.8° | 180.0° |
CAH | CBA | CBG | CBC | 2.4° | 0.1° |
CBA | CAH | CAA | H13 | 20.3° | 88.7° |
CAH | CBA | CAK | H14 | 1.3° | 0.0° |
CBG | CBC | CAR | CAV | 164.6° | 179.8° |
CBG | CBC | CAV | OAE | 46.2° | 104.0° |
CBG | CBC | CAV | CAZ | 145.2° | 76.0° |
CBG | CBC | CAR | H12 | 169.2° | 179.8° |
CAR | CBC | CAV | OAE | 115.0° | 75.8° |
CAR | CBC | CAV | CAZ | 53.7° | 104.2° |
CBC | CAV | OAE | CAZ | 168.6° | 180.0° |
CBC | CAV | CAZ | CAQ | 51.6° | 174.4° |
CBC | CAV | CAZ | CAL | 130.3° | 5.8° |
CAV | CBC | CAR | H12 | 4.5° | 0.1° |
OAE | CAV | CAZ | CAQ | 139.7° | 5.6° |
OAE | CAV | CAZ | CAL | 38.4° | 174.2° |
CAV | CAZ | CAQ | CAL | 178.2° | 179.8° |
CAV | CAZ | CAQ | CAY | 179.4° | 180.0° |
CAV | CAZ | CAL | CAM | 179.5° | 179.7° |
CAV | CAZ | CAQ | H9 | 0.6° | 0.1° |
CAV | CAZ | CAL | H11 | 0.5° | 0.3° |
CAZ | CAQ | CAY | H9 | 180.0° | 179.9° |
CAZ | CAQ | CAY | FAG | 178.6° | 180.0° |
CAZ | CAQ | CAY | CBB | 1.7° | 0.0° |
CAQ | CAZ | CAL | CAM | 1.2° | 0.5° |
CAQ | CAZ | CAL | H11 | 178.8° | 180.0° |
CAY | CAQ | CAZ | CAL | 1.2° | 0.2° |
CAQ | CAY | FAG | CBB | 179.7° | 180.0° |
CAQ | CAY | CBB | CAM | 2.1° | 0.0° |
CAQ | CAY | CBB | CAS | 177.2° | 179.7° |
CAZ | CAL | CAM | H11 | 180.0° | 179.5° |
CAZ | CAL | CAM | CBB | 1.7° | 0.6° |
CAL | CAZ | CAQ | H9 | 178.8° | 179.7° |
CAZ | CAL | CAM | H10 | 178.3° | 179.5° |
FAG | CAY | CBB | CAM | 178.2° | 180.0° |
FAG | CAY | CBB | CAS | 3.1° | 0.3° |
FAG | CAY | CAQ | H9 | 1.4° | 0.0° |
CAY | CBB | CAM | CAL | 2.0° | 0.3° |
CAY | CBB | CAM | CAS | 174.9° | 179.7° |
CAY | CBB | CAS | NBJ | 135.8° | 79.7° |
CAY | CBB | CAS | H7 | 14.9° | 160.3° |
CAY | CBB | CAS | H8 | 103.4° | 40.3° |
CBB | CAY | CAQ | H9 | 178.3° | 179.9° |
CAY | CBB | CAM | H10 | 177.9° | 179.7° |
CAL | CAM | CBB | H10 | 180.0° | 180.0° |
CAL | CAM | CBB | CAS | 177.0° | 180.0° |
CAM | CBB | CAS | NBJ | 49.3° | 100.0° |
CAM | CBB | CAS | H7 | 170.1° | 20.0° |
CAM | CBB | CAS | H8 | 71.6° | 140.1° |
CBB | CAM | CAL | H11 | 178.4° | 180.0° |
CBB | CAS | NBJ | H7 | 120.9° | 120.0° |
CBB | CAS | NBJ | H8 | 120.8° | 119.9° |
CBB | CAS | NBJ | CBE | 70.5° | 90.0° |
CBB | CAS | NBJ | CAX | 116.6° | 90.1° |
CBB | CAS | H7 | H8 | 117.4° | 120.0° |
CAS | CBB | CAM | H10 | 3.0° | 0.0° |
CAS | NBJ | CBE | CAX | 174.0° | 179.9° |
CAS | NBJ | CBE | CAO | 4.3° | 0.0° |
CAS | NBJ | CAX | CAB | 5.2° | 0.0° |
CAS | NBJ | CBE | CBD | 178.1° | 179.7° |
CAS | NBJ | CAX | NAU | 177.7° | 179.7° |
NBJ | CAS | H7 | H8 | 117.4° | 120.0° |
NBJ | CBE | CAO | CBD | 177.4° | 179.7° |
NBJ | CBE | CAO | CAJ | 176.8° | 179.7° |
CBE | NBJ | CAX | CAB | 179.3° | 179.9° |
CBE | NBJ | CAX | NAU | 3.6° | 0.4° |
NBJ | CBE | CBD | NAU | 3.1° | 0.2° |
NBJ | CBE | CBD | CAP | 177.7° | 179.8° |
NBJ | CBE | CAO | H6 | 3.2° | 0.4° |
CBE | NBJ | CAS | H7 | 50.3° | 150.0° |
CBE | NBJ | CAS | H8 | 168.7° | 30.0° |
CAX | NBJ | CBE | CAO | 178.3° | 179.9° |
NBJ | CAX | CAB | NAU | 176.8° | 179.7° |
CAX | NBJ | CBE | CBD | 4.0° | 0.3° |
NBJ | CAX | NAU | CBD | 1.8° | 0.2° |
NBJ | CAX | CAB | H1 | 176.7° | 90.3° |
NBJ | CAX | CAB | H2 | 63.3° | 29.7° |
NBJ | CAX | CAB | H3 | 56.8° | 149.8° |
CAX | NBJ | CAS | H7 | 122.5° | 29.9° |
CAX | NBJ | CAS | H8 | 4.2° | 149.9° |
CBE | CAO | CAJ | H6 | 180.0° | 180.0° |
CBE | CAO | CAJ | NAT | 0.1° | 0.0° |
CAO | CBE | CBD | NAU | 179.0° | 180.0° |
CAO | CBE | CBD | CAP | 0.2° | 0.0° |
CBE | CAO | CAJ | H5 | 180.0° | 179.9° |
CAJ | CAO | CBE | CBD | 0.5° | 0.0° |
CAO | CAJ | NAT | H5 | 180.0° | 179.9° |
CAO | CAJ | NAT | CAP | 1.0° | 0.1° |
CAB | CAX | NAU | CBD | 179.0° | 180.0° |
CAX | CAB | H1 | H2 | 120.0° | 120.1° |
CAX | CAB | H1 | H3 | 120.0° | 119.9° |
CAX | CAB | H2 | H3 | 120.0° | 120.0° |
CBE | CBD | NAU | CAX | 0.8° | 0.0° |
CBE | CBD | NAU | CAP | 179.1° | 180.0° |
CBE | CBD | CAP | NAT | 0.7° | 0.1° |
CBE | CBD | CAP | H4 | 179.3° | 180.0° |
CBD | CBE | CAO | H6 | 179.4° | 179.9° |
CAX | NAU | CBD | CAP | 179.9° | 180.0° |
NAU | CAX | CAB | H1 | 0.0° | 90.0° |
NAU | CAX | CAB | H2 | 120.0° | 149.9° |
NAU | CAX | CAB | H3 | 120.0° | 29.9° |
CAJ | NAT | CAP | CBD | 1.3° | 0.1° |
CAJ | NAT | CAP | H4 | 178.7° | 179.9° |
NAT | CAJ | CAO | H6 | 180.0° | 180.0° |
NAU | CBD | CAP | NAT | 179.7° | 179.9° |
NAU | CBD | CAP | H4 | 0.2° | 0.0° |
CBD | CAP | NAT | H4 | 180.0° | 179.9° |
CAP | NAT | CAJ | H5 | 179.1° | 180.0° |
H1 | CAB | H2 | H3 | 120.0° | 120.0° |
H5 | CAJ | CAO | H6 | 0.0° | 0.1° |
H10 | CAM | CAL | H11 | 1.7° | 0.0° |
H14 | CAK | CAI | H15 | 0.0° | 0.0° |
H15 | CAI | CAN | H16 | 0.4° | 0.1° |
H17 | CAC | H18 | H19 | 120.0° | 119.9° |
H20 | CAD | H21 | H22 | 120.0° | 120.0° |