E7C
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAC | CAU | sing | 1.51Å | 1.54Å | |
OAH | CBA | sing | 1.36Å | 1.36Å | |
CAU | CAB | sing | 1.51Å | 1.53Å | |
CAU | CAI | doub | 1.31Å | 1.54Å | |
OAD | CAV | doub | 1.22Å | 1.23Å | |
CBA | CAL | doub | 1.39Å | 1.39Å | Aromatic |
CBA | CBD | sing | 1.39Å | 1.40Å | Aromatic |
CAQ | CAI | sing | 1.51Å | 1.54Å | |
CAQ | CBD | sing | 1.51Å | 1.40Å | |
CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
CBD | CAP | doub | 1.38Å | 1.40Å | Aromatic |
CAV | OAT | sing | 1.35Å | 1.36Å | |
CAV | CAX | sing | 1.46Å | 1.31Å | |
OAT | CBE | sing | 1.43Å | 1.43Å | |
CAM | CBB | doub | 1.38Å | 1.40Å | Aromatic |
CAP | CBB | sing | 1.38Å | 1.40Å | Aromatic |
OAS | CAA | sing | 1.45Å | 1.44Å | |
OAS | CAW | sing | 1.34Å | 1.37Å | |
CBB | CAR | sing | 1.51Å | 1.41Å | |
CAX | OAF | sing | 1.36Å | 1.36Å | |
CAX | CAY | doub | 1.36Å | 1.34Å | |
CBE | CAW | sing | 1.51Å | 1.43Å | |
CBE | CAR | sing | 1.53Å | 1.56Å | |
CBE | CAY | sing | 1.51Å | 1.45Å | |
CAW | OAE | doub | 1.21Å | 1.23Å | |
CAY | CBC | sing | 1.47Å | 1.37Å | |
CBC | CAO | doub | 1.40Å | 1.41Å | Aromatic |
CBC | CAN | sing | 1.40Å | 1.41Å | Aromatic |
CAO | CAK | sing | 1.38Å | 1.39Å | Aromatic |
CAN | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
CAK | CAZ | doub | 1.39Å | 1.38Å | Aromatic |
CAJ | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
CAZ | OAG | sing | 1.36Å | 1.36Å | |
CAB | H1 | sing | 1.09Å | 1.10Å | |
CAB | H2 | sing | 1.09Å | 1.10Å | |
CAB | H3 | sing | 1.09Å | 1.10Å | |
CAC | H4 | sing | 1.09Å | 1.10Å | |
CAC | H5 | sing | 1.09Å | 1.10Å | |
CAC | H6 | sing | 1.09Å | 1.10Å | |
CAI | H7 | sing | 1.08Å | 1.08Å | |
CAQ | H8 | sing | 1.09Å | 1.10Å | |
CAQ | H9 | sing | 1.09Å | 1.10Å | |
CAP | H10 | sing | 1.08Å | 1.08Å | |
OAH | H11 | sing | 0.97Å | 0.95Å | |
CAL | H12 | sing | 1.08Å | 1.08Å | |
CAM | H13 | sing | 1.08Å | 1.08Å | |
CAR | H14 | sing | 1.09Å | 1.10Å | |
CAR | H15 | sing | 1.09Å | 1.10Å | |
CAA | H16 | sing | 1.09Å | 1.10Å | |
CAA | H17 | sing | 1.09Å | 1.10Å | |
CAA | H18 | sing | 1.09Å | 1.10Å | |
OAF | H19 | sing | 0.97Å | 0.95Å | |
CAN | H20 | sing | 1.08Å | 1.08Å | |
CAJ | H21 | sing | 1.08Å | 1.08Å | |
OAG | H22 | sing | 0.97Å | 0.95Å | |
CAK | H23 | sing | 1.08Å | 1.08Å | |
CAO | H24 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAC | CAU | CAB | 118.9° | 120.0° |
CAC | CAU | CAI | 122.6° | 120.0° |
CAU | CAC | H4 | 109.5° | 109.5° |
CAU | CAC | H5 | 109.5° | 109.5° |
CAU | CAC | H6 | 109.5° | 109.5° |
OAH | CBA | CAL | 121.0° | 120.1° |
OAH | CBA | CBD | 117.9° | 120.0° |
CBA | OAH | H11 | 109.5° | 114.0° |
CAB | CAU | CAI | 118.5° | 120.0° |
CAU | CAB | H1 | 109.5° | 109.5° |
CAU | CAB | H2 | 109.5° | 109.4° |
CAU | CAB | H3 | 109.5° | 109.5° |
CAU | CAI | CAQ | 123.0° | 120.0° |
CAU | CAI | H7 | 118.5° | 120.0° |
OAD | CAV | OAT | 125.7° | 125.1° |
OAD | CAV | CAX | 119.7° | 125.0° |
CAL | CBA | CBD | 121.1° | 119.9° |
CBA | CAL | CAM | 119.9° | 119.9° |
CBA | CAL | H12 | 120.0° | 120.0° |
CBA | CBD | CAQ | 121.3° | 120.0° |
CBA | CBD | CAP | 118.4° | 120.0° |
CAI | CAQ | CBD | 110.8° | 109.5° |
CAQ | CAI | H7 | 118.5° | 120.0° |
CAI | CAQ | H8 | 109.1° | 109.5° |
CAI | CAQ | H9 | 109.1° | 109.5° |
CAQ | CBD | CAP | 120.3° | 120.0° |
CBD | CAQ | H8 | 109.1° | 109.5° |
CBD | CAQ | H9 | 109.1° | 109.5° |
CAL | CAM | CBB | 120.0° | 120.1° |
CAM | CAL | H12 | 120.1° | 120.1° |
CAL | CAM | H13 | 120.0° | 119.9° |
CBD | CAP | CBB | 121.1° | 120.0° |
CBD | CAP | H10 | 119.5° | 120.0° |
OAT | CAV | CAX | 114.7° | 110.0° |
CAV | OAT | CBE | 104.5° | 108.4° |
CAV | CAX | OAF | 121.9° | 125.7° |
CAV | CAX | CAY | 107.7° | 108.7° |
OAT | CBE | CAW | 108.2° | 110.0° |
OAT | CBE | CAR | 109.6° | 110.0° |
OAT | CBE | CAY | 104.6° | 106.5° |
CAM | CBB | CAP | 119.5° | 120.1° |
CAM | CBB | CAR | 120.0° | 119.9° |
CBB | CAM | H13 | 120.0° | 120.0° |
CAP | CBB | CAR | 120.4° | 120.0° |
CBB | CAP | H10 | 119.4° | 120.0° |
CAA | OAS | CAW | 115.6° | 117.0° |
OAS | CAA | H16 | 109.5° | 109.5° |
OAS | CAA | H17 | 109.5° | 109.5° |
OAS | CAA | H18 | 109.4° | 109.5° |
OAS | CAW | CBE | 115.1° | 120.0° |
OAS | CAW | OAE | 122.8° | 120.0° |
CBB | CAR | CBE | 118.9° | 109.5° |
CBB | CAR | H14 | 107.1° | 109.5° |
CBB | CAR | H15 | 107.1° | 109.4° |
OAF | CAX | CAY | 130.4° | 125.6° |
CAX | OAF | H19 | 109.5° | 114.0° |
CAX | CAY | CBE | 108.5° | 106.4° |
CAX | CAY | CBC | 122.2° | 126.8° |
CAW | CBE | CAR | 110.6° | 110.0° |
CAW | CBE | CAY | 113.2° | 110.1° |
CBE | CAW | OAE | 122.1° | 120.0° |
CAR | CBE | CAY | 110.4° | 110.1° |
CBE | CAR | H14 | 107.0° | 109.5° |
CBE | CAR | H15 | 107.1° | 109.5° |
CBE | CAY | CBC | 129.2° | 126.8° |
CAY | CBC | CAO | 120.3° | 120.2° |
CAY | CBC | CAN | 123.2° | 120.1° |
CAO | CBC | CAN | 116.5° | 119.8° |
CBC | CAO | CAK | 122.5° | 119.9° |
CBC | CAO | H24 | 118.8° | 120.1° |
CBC | CAN | CAJ | 121.2° | 119.8° |
CBC | CAN | H20 | 119.4° | 120.0° |
CAO | CAK | CAZ | 119.7° | 120.2° |
CAO | CAK | H23 | 120.1° | 119.9° |
CAK | CAO | H24 | 118.7° | 120.1° |
CAN | CAJ | CAZ | 120.6° | 120.2° |
CAJ | CAN | H20 | 119.4° | 120.1° |
CAN | CAJ | H21 | 119.7° | 119.9° |
CAK | CAZ | CAJ | 119.5° | 120.2° |
CAK | CAZ | OAG | 119.1° | 119.9° |
CAZ | CAK | H23 | 120.2° | 119.9° |
CAJ | CAZ | OAG | 121.3° | 119.9° |
CAZ | CAJ | H21 | 119.7° | 120.0° |
CAZ | OAG | H22 | 109.5° | 114.0° |
H1 | CAB | H2 | 109.5° | 109.5° |
H1 | CAB | H3 | 109.4° | 109.5° |
H2 | CAB | H3 | 109.5° | 109.5° |
H4 | CAC | H5 | 109.5° | 109.4° |
H4 | CAC | H6 | 109.4° | 109.4° |
H5 | CAC | H6 | 109.5° | 109.5° |
H8 | CAQ | H9 | 109.5° | 109.5° |
H14 | CAR | H15 | 109.5° | 109.5° |
H16 | CAA | H17 | 109.5° | 109.5° |
H16 | CAA | H18 | 109.5° | 109.4° |
H17 | CAA | H18 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAC | CAU | CAB | CAI | 179.3° | 180.0° |
CAC | CAU | CAI | CAQ | 0.6° | 5.8° |
CAC | CAU | CAB | H1 | 180.0° | 90.0° |
CAC | CAU | CAB | H2 | 60.0° | 30.0° |
CAC | CAU | CAB | H3 | 60.0° | 150.0° |
CAU | CAC | H4 | H5 | 120.0° | 120.0° |
CAU | CAC | H4 | H6 | 120.0° | 120.0° |
CAU | CAC | H5 | H6 | 120.0° | 120.0° |
CAC | CAU | CAI | H7 | 179.4° | 174.2° |
OAH | CBA | CAL | CBD | 179.7° | 180.0° |
OAH | CBA | CBD | CAQ | 0.7° | 0.1° |
OAH | CBA | CAL | CAM | 179.8° | 180.0° |
OAH | CBA | CBD | CAP | 179.8° | 179.8° |
OAH | CBA | CAL | H12 | 0.2° | 0.1° |
CAB | CAU | CAI | CAQ | 179.8° | 174.2° |
CAU | CAB | H1 | H2 | 120.0° | 120.0° |
CAU | CAB | H1 | H3 | 120.0° | 120.0° |
CAU | CAB | H2 | H3 | 120.0° | 120.0° |
CAB | CAU | CAC | H4 | 180.0° | 5.1° |
CAB | CAU | CAC | H5 | 60.0° | 114.9° |
CAB | CAU | CAC | H6 | 60.0° | 125.0° |
CAB | CAU | CAI | H7 | 0.2° | 5.8° |
CAU | CAI | CAQ | H7 | 180.0° | 180.0° |
CAU | CAI | CAQ | CBD | 119.0° | 125.8° |
CAI | CAU | CAB | H1 | 0.7° | 90.0° |
CAI | CAU | CAB | H2 | 120.8° | 150.0° |
CAI | CAU | CAB | H3 | 119.3° | 30.0° |
CAI | CAU | CAC | H4 | 0.8° | 174.9° |
CAI | CAU | CAC | H5 | 119.2° | 65.1° |
CAI | CAU | CAC | H6 | 120.8° | 55.0° |
CAU | CAI | CAQ | H8 | 1.2° | 114.2° |
CAU | CAI | CAQ | H9 | 120.8° | 5.8° |
OAD | CAV | OAT | CAX | 179.8° | 179.9° |
OAD | CAV | OAT | CBE | 179.1° | 179.9° |
OAD | CAV | CAX | OAF | 0.2° | 0.0° |
OAD | CAV | CAX | CAY | 179.3° | 179.9° |
CAL | CBA | CBD | CAQ | 179.6° | 180.0° |
CBA | CAL | CAM | H12 | 180.0° | 180.0° |
CAL | CBA | CBD | CAP | 0.5° | 0.3° |
CBA | CAL | CAM | CBB | 0.6° | 0.3° |
CAL | CBA | OAH | H11 | 180.0° | 90.0° |
CBA | CAL | CAM | H13 | 179.3° | 180.0° |
CBA | CBD | CAQ | CAI | 57.9° | 80.3° |
CBA | CBD | CAQ | CAP | 179.1° | 179.7° |
CBD | CBA | CAL | CAM | 0.5° | 0.0° |
CBA | CBD | CAP | CBB | 0.7° | 0.2° |
CBA | CBD | CAQ | H8 | 62.3° | 159.7° |
CBA | CBD | CAQ | H9 | 178.1° | 39.7° |
CBA | CBD | CAP | H10 | 179.3° | 179.8° |
CBD | CBA | OAH | H11 | 0.3° | 90.1° |
CBD | CBA | CAL | H12 | 179.5° | 180.0° |
CAI | CAQ | CBD | H8 | 120.2° | 120.0° |
CAI | CAQ | CBD | H9 | 120.2° | 120.0° |
CAI | CAQ | CBD | CAP | 123.0° | 100.0° |
CAI | CAQ | H8 | H9 | 119.4° | 120.0° |
CAQ | CBD | CAP | CBB | 178.4° | 180.0° |
CBD | CAQ | CAI | H7 | 61.0° | 54.2° |
CBD | CAQ | H8 | H9 | 119.4° | 120.0° |
CAQ | CBD | CAP | H10 | 1.6° | 0.1° |
CAL | CAM | CBB | H13 | 180.0° | 179.7° |
CAL | CAM | CBB | CAP | 1.8° | 0.3° |
CAL | CAM | CBB | CAR | 178.4° | 179.7° |
CBD | CAP | CBB | CAM | 1.9° | 0.0° |
CBD | CAP | CBB | H10 | 180.0° | 180.0° |
CBD | CAP | CBB | CAR | 178.4° | 180.0° |
CAP | CBD | CAQ | H8 | 116.8° | 20.0° |
CAP | CBD | CAQ | H9 | 2.8° | 140.0° |
OAT | CAV | CAX | OAF | 180.0° | 180.0° |
OAT | CAV | CAX | CAY | 0.9° | 0.0° |
CAV | OAT | CBE | CAW | 122.8° | 119.3° |
CAV | OAT | CBE | CAR | 116.5° | 119.3° |
CAV | OAT | CBE | CAY | 1.8° | 0.0° |
CAX | CAV | OAT | CBE | 0.7° | 0.0° |
CAV | CAX | OAF | CAY | 178.9° | 179.9° |
CAV | CAX | CAY | CBE | 2.1° | 0.0° |
CAV | CAX | CAY | CBC | 179.4° | 179.9° |
CAV | CAX | OAF | H19 | 0.1° | 0.0° |
OAT | CBE | CAW | OAS | 54.6° | 33.6° |
OAT | CBE | CAR | CBB | 1.0° | 67.2° |
OAT | CBE | CAY | CAX | 2.5° | 0.0° |
OAT | CBE | CAW | CAR | 120.1° | 121.4° |
OAT | CBE | CAW | CAY | 115.5° | 117.1° |
OAT | CBE | CAR | CAY | 114.7° | 117.1° |
OAT | CBE | CAW | OAE | 124.2° | 146.4° |
OAT | CBE | CAY | CBC | 179.5° | 179.9° |
OAT | CBE | CAR | H14 | 122.3° | 52.8° |
OAT | CBE | CAR | H15 | 120.3° | 172.9° |
CAM | CBB | CAP | CAR | 176.5° | 180.0° |
CAM | CBB | CAR | CBE | 108.3° | 90.0° |
CAM | CBB | CAP | H10 | 178.1° | 180.0° |
CBB | CAM | CAL | H12 | 179.3° | 179.7° |
CAM | CBB | CAR | H14 | 130.4° | 30.0° |
CAM | CBB | CAR | H15 | 13.0° | 150.0° |
CAP | CBB | CAR | CBE | 75.1° | 90.0° |
CAP | CBB | CAM | H13 | 178.2° | 180.0° |
CAP | CBB | CAR | H14 | 46.2° | 150.0° |
CAP | CBB | CAR | H15 | 163.5° | 30.0° |
CAA | OAS | CAW | CBE | 144.5° | 180.0° |
CAA | OAS | CAW | OAE | 36.8° | 0.0° |
OAS | CAA | H16 | H17 | 120.0° | 120.0° |
OAS | CAA | H16 | H18 | 120.0° | 120.0° |
OAS | CAA | H17 | H18 | 120.0° | 120.0° |
OAS | CAW | CBE | OAE | 178.7° | 180.0° |
OAS | CAW | CBE | CAR | 65.6° | 155.0° |
OAS | CAW | CBE | CAY | 170.0° | 83.5° |
CAW | OAS | CAA | H16 | 180.0° | 180.0° |
CAW | OAS | CAA | H17 | 60.0° | 60.0° |
CAW | OAS | CAA | H18 | 60.0° | 60.0° |
CBB | CAR | CBE | CAW | 120.3° | 54.3° |
CBB | CAR | CBE | H14 | 121.3° | 120.0° |
CBB | CAR | CBE | H15 | 121.4° | 120.0° |
CBB | CAR | CBE | CAY | 113.7° | 175.7° |
CAR | CBB | CAP | H10 | 1.6° | 0.0° |
CAR | CBB | CAM | H13 | 1.6° | 0.0° |
CBB | CAR | H14 | H15 | 115.7° | 119.9° |
OAF | CAX | CAY | CBE | 178.9° | 180.0° |
OAF | CAX | CAY | CBC | 1.6° | 0.0° |
CAX | CAY | CBE | CAW | 120.1° | 119.2° |
CAX | CAY | CBE | CAR | 115.4° | 119.3° |
CAX | CAY | CBE | CBC | 177.0° | 180.0° |
CAX | CAY | CBC | CAO | 13.3° | 65.0° |
CAX | CAY | CBC | CAN | 166.5° | 114.8° |
CAY | CAX | OAF | H19 | 179.0° | 180.0° |
CAW | CBE | CAR | CAY | 126.0° | 121.5° |
CAW | CBE | CAY | CBC | 62.9° | 60.8° |
CAW | CBE | CAR | H14 | 118.4° | 174.3° |
CAW | CBE | CAR | H15 | 1.1° | 65.7° |
CAR | CBE | CAW | OAE | 115.7° | 25.0° |
CAR | CBE | CAY | CBC | 61.6° | 60.7° |
CBE | CAR | H14 | H15 | 115.7° | 120.0° |
CAY | CBE | CAW | OAE | 8.7° | 96.5° |
CBE | CAY | CBC | CAO | 170.0° | 114.9° |
CBE | CAY | CBC | CAN | 10.1° | 65.2° |
CAY | CBE | CAR | H14 | 7.6° | 64.3° |
CAY | CBE | CAR | H15 | 125.0° | 55.8° |
CAY | CBC | CAO | CAN | 179.9° | 179.8° |
CAY | CBC | CAO | CAK | 179.8° | 179.7° |
CAY | CBC | CAN | CAJ | 179.8° | 180.0° |
CAY | CBC | CAN | H20 | 0.2° | 0.1° |
CAY | CBC | CAO | H24 | 0.3° | 0.1° |
CBC | CAO | CAK | H24 | 180.0° | 179.7° |
CAO | CBC | CAN | CAJ | 0.1° | 0.2° |
CBC | CAO | CAK | CAZ | 0.1° | 0.6° |
CAO | CBC | CAN | H20 | 179.9° | 179.7° |
CBC | CAO | CAK | H23 | 179.9° | 179.7° |
CAN | CBC | CAO | CAK | 0.1° | 0.5° |
CBC | CAN | CAJ | H20 | 180.0° | 179.9° |
CBC | CAN | CAJ | CAZ | 0.0° | 0.0° |
CBC | CAN | CAJ | H21 | 180.0° | 180.0° |
CAN | CBC | CAO | H24 | 179.9° | 179.7° |
CAO | CAK | CAZ | H23 | 180.0° | 179.7° |
CAO | CAK | CAZ | CAJ | 0.0° | 0.3° |
CAO | CAK | CAZ | OAG | 180.0° | 179.7° |
CAN | CAJ | CAZ | CAK | 0.0° | 0.0° |
CAN | CAJ | CAZ | H21 | 180.0° | 180.0° |
CAN | CAJ | CAZ | OAG | 179.9° | 180.0° |
CAK | CAZ | CAJ | OAG | 179.9° | 179.9° |
CAK | CAZ | CAJ | H21 | 180.0° | 180.0° |
CAK | CAZ | OAG | H22 | 180.0° | 90.0° |
CAZ | CAK | CAO | H24 | 179.9° | 179.7° |
CAZ | CAJ | CAN | H20 | 180.0° | 180.0° |
CAJ | CAZ | OAG | H22 | 0.1° | 90.0° |
CAJ | CAZ | CAK | H23 | 179.9° | 180.0° |
OAG | CAZ | CAJ | H21 | 0.1° | 0.1° |
OAG | CAZ | CAK | H23 | 0.0° | 0.1° |
H1 | CAB | H2 | H3 | 120.0° | 120.0° |
H4 | CAC | H5 | H6 | 120.0° | 120.0° |
H7 | CAI | CAQ | H8 | 178.8° | 65.8° |
H7 | CAI | CAQ | H9 | 59.2° | 174.2° |
H12 | CAL | CAM | H13 | 0.7° | 0.0° |
H16 | CAA | H17 | H18 | 120.0° | 120.0° |
H20 | CAN | CAJ | H21 | 0.0° | 0.0° |
H23 | CAK | CAO | H24 | 0.1° | 0.0° |