L2E
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAH | CAZ | sing | 1.36Å | 1.35Å | |
OAD | CAV | doub | 1.21Å | 1.36Å | |
CAC | CAU | sing | 1.51Å | 1.60Å | |
CAU | CAQ | sing | 1.51Å | 1.53Å | |
CAU | CAJ | doub | 1.31Å | 1.39Å | |
CAP | CAJ | sing | 1.51Å | 1.57Å | |
CAP | CBC | sing | 1.51Å | 1.33Å | |
CAQ | CAO | sing | 1.53Å | 1.57Å | |
CAB | CAT | sing | 1.51Å | 1.51Å | |
CAO | CAI | sing | 1.51Å | 1.54Å | |
CAZ | CBC | sing | 1.38Å | 1.41Å | Aromatic |
CAZ | CBD | doub | 1.40Å | 1.36Å | Aromatic |
CAV | CBD | sing | 1.47Å | 1.38Å | |
CAV | CAR | sing | 1.52Å | 1.38Å | |
CBC | CAY | doub | 1.39Å | 1.36Å | Aromatic |
CBD | CBB | sing | 1.41Å | 1.37Å | Aromatic |
CAR | CBE | sing | 1.54Å | 1.50Å | |
CAT | CAI | doub | 1.31Å | 1.35Å | |
CAT | CAA | sing | 1.51Å | 1.51Å | |
CAY | OAG | sing | 1.36Å | 1.44Å | |
CAY | CAN | sing | 1.39Å | 1.37Å | Aromatic |
CBE | OAS | sing | 1.43Å | 1.36Å | |
CBE | CBA | sing | 1.51Å | 1.33Å | |
CBB | CAN | doub | 1.38Å | 1.37Å | Aromatic |
CBB | OAS | sing | 1.35Å | 1.34Å | |
CAL | CBA | sing | 1.38Å | 1.35Å | Aromatic |
CAL | CAK | doub | 1.38Å | 1.36Å | Aromatic |
CBA | CAM | doub | 1.38Å | 1.38Å | Aromatic |
CAK | CAW | sing | 1.38Å | 1.35Å | Aromatic |
CAM | CAX | sing | 1.39Å | 1.38Å | Aromatic |
CAW | CAX | doub | 1.39Å | 1.37Å | Aromatic |
CAW | OAE | sing | 1.36Å | 1.49Å | |
CAX | OAF | sing | 1.36Å | 1.31Å | |
CAA | H1 | sing | 1.09Å | 1.10Å | |
CAA | H2 | sing | 1.09Å | 1.10Å | |
CAA | H3 | sing | 1.09Å | 1.10Å | |
CAB | H5 | sing | 1.09Å | 1.10Å | |
CAB | H6 | sing | 1.09Å | 1.10Å | |
CAB | H7 | sing | 1.09Å | 1.10Å | |
CAI | H8 | sing | 1.08Å | 1.08Å | |
CAO | H10 | sing | 1.09Å | 1.10Å | |
CAO | H11 | sing | 1.09Å | 1.10Å | |
CAQ | H12 | sing | 1.09Å | 1.10Å | |
CAQ | H13 | sing | 1.09Å | 1.10Å | |
CAC | H14 | sing | 1.09Å | 1.10Å | |
CAC | H15 | sing | 1.09Å | 1.10Å | |
CAC | H16 | sing | 1.09Å | 1.10Å | |
CAJ | H17 | sing | 1.08Å | 1.08Å | |
CAP | H18 | sing | 1.09Å | 1.10Å | |
CAP | H19 | sing | 1.09Å | 1.10Å | |
OAH | H20 | sing | 0.97Å | 0.95Å | |
OAG | H21 | sing | 0.97Å | 0.95Å | |
CAN | H22 | sing | 1.08Å | 1.08Å | |
CAR | H25 | sing | 1.09Å | 1.10Å | |
CAR | H26 | sing | 1.09Å | 1.10Å | |
CBE | H27 | sing | 1.09Å | 1.10Å | |
CAM | H28 | sing | 1.08Å | 1.08Å | |
OAF | H29 | sing | 0.97Å | 0.95Å | |
OAE | H30 | sing | 0.97Å | 0.95Å | |
CAK | H31 | sing | 1.08Å | 1.08Å | |
CAL | H32 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAH | CAZ | CBC | 121.8° | 120.2° |
OAH | CAZ | CBD | 114.7° | 120.3° |
CAZ | OAH | H20 | 109.5° | 114.0° |
OAD | CAV | CBD | 121.5° | 121.7° |
OAD | CAV | CAR | 120.6° | 121.7° |
CAC | CAU | CAQ | 118.7° | 120.0° |
CAC | CAU | CAJ | 127.7° | 120.0° |
CAU | CAC | H14 | 109.5° | 109.5° |
CAU | CAC | H15 | 109.5° | 109.5° |
CAU | CAC | H16 | 109.4° | 109.4° |
CAQ | CAU | CAJ | 113.4° | 120.0° |
CAU | CAQ | CAO | 117.4° | 109.5° |
CAU | CAQ | H12 | 107.4° | 109.5° |
CAU | CAQ | H13 | 107.4° | 109.5° |
CAU | CAJ | CAP | 130.9° | 120.0° |
CAU | CAJ | H17 | 114.5° | 120.0° |
CAJ | CAP | CBC | 102.7° | 109.5° |
CAP | CAJ | H17 | 114.5° | 120.0° |
CAJ | CAP | H18 | 111.1° | 109.5° |
CAJ | CAP | H19 | 111.1° | 109.5° |
CAP | CBC | CAZ | 121.3° | 120.0° |
CAP | CBC | CAY | 120.7° | 120.0° |
CBC | CAP | H18 | 111.1° | 109.4° |
CBC | CAP | H19 | 111.1° | 109.5° |
CAQ | CAO | CAI | 116.8° | 109.5° |
CAQ | CAO | H10 | 107.6° | 109.5° |
CAQ | CAO | H11 | 107.6° | 109.4° |
CAO | CAQ | H12 | 107.4° | 109.5° |
CAO | CAQ | H13 | 107.5° | 109.4° |
CAB | CAT | CAI | 121.0° | 120.0° |
CAB | CAT | CAA | 118.5° | 120.0° |
CAT | CAB | H5 | 109.5° | 109.5° |
CAT | CAB | H6 | 109.5° | 109.5° |
CAT | CAB | H7 | 109.5° | 109.5° |
CAO | CAI | CAT | 114.9° | 120.0° |
CAO | CAI | H8 | 122.6° | 120.0° |
CAI | CAO | H10 | 107.6° | 109.6° |
CAI | CAO | H11 | 107.6° | 109.5° |
CBC | CAZ | CBD | 123.5° | 119.5° |
CAZ | CBC | CAY | 117.5° | 120.0° |
CAZ | CBD | CAV | 120.9° | 120.6° |
CAZ | CBD | CBB | 116.8° | 120.3° |
CBD | CAV | CAR | 117.9° | 116.6° |
CAV | CBD | CBB | 122.1° | 119.1° |
CAV | CAR | CBE | 109.6° | 107.1° |
CAV | CAR | H25 | 109.4° | 109.9° |
CAV | CAR | H26 | 109.5° | 109.9° |
CBC | CAY | OAG | 117.6° | 119.7° |
CBC | CAY | CAN | 119.6° | 120.7° |
CBD | CBB | CAN | 120.6° | 119.3° |
CBD | CBB | OAS | 116.7° | 120.8° |
CAR | CBE | OAS | 110.9° | 109.1° |
CAR | CBE | CBA | 108.3° | 109.5° |
CBE | CAR | H25 | 109.4° | 109.9° |
CBE | CAR | H26 | 109.4° | 110.0° |
CAR | CBE | H27 | 109.6° | 109.5° |
CAI | CAT | CAA | 120.5° | 120.0° |
CAT | CAI | H8 | 122.6° | 120.0° |
CAT | CAA | H1 | 109.5° | 109.4° |
CAT | CAA | H2 | 109.5° | 109.5° |
CAT | CAA | H3 | 109.4° | 109.5° |
OAG | CAY | CAN | 122.2° | 119.6° |
CAY | OAG | H21 | 109.5° | 114.0° |
CAY | CAN | CBB | 121.6° | 120.2° |
CAY | CAN | H22 | 119.2° | 119.9° |
OAS | CBE | CBA | 104.2° | 109.5° |
CBE | OAS | CBB | 118.9° | 118.7° |
OAS | CBE | H27 | 111.7° | 109.8° |
CBE | CBA | CAL | 116.0° | 119.9° |
CBE | CBA | CAM | 121.4° | 119.9° |
CBA | CBE | H27 | 112.1° | 109.5° |
CAN | CBB | OAS | 122.5° | 119.9° |
CBB | CAN | H22 | 119.2° | 119.9° |
CBA | CAL | CAK | 118.2° | 120.1° |
CAL | CBA | CAM | 122.6° | 120.1° |
CBA | CAL | H32 | 120.9° | 119.9° |
CAL | CAK | CAW | 120.5° | 120.0° |
CAL | CAK | H31 | 119.8° | 119.9° |
CAK | CAL | H32 | 120.9° | 120.0° |
CBA | CAM | CAX | 119.2° | 120.0° |
CBA | CAM | H28 | 120.4° | 120.0° |
CAK | CAW | CAX | 122.4° | 119.8° |
CAK | CAW | OAE | 119.1° | 120.1° |
CAW | CAK | H31 | 119.8° | 120.0° |
CAM | CAX | CAW | 117.1° | 119.9° |
CAM | CAX | OAF | 123.0° | 120.1° |
CAX | CAM | H28 | 120.4° | 120.0° |
CAX | CAW | OAE | 118.5° | 120.1° |
CAW | CAX | OAF | 119.8° | 120.0° |
CAW | OAE | H30 | 109.5° | 113.9° |
CAX | OAF | H29 | 109.5° | 114.1° |
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° | 109.4° |
H5 | CAB | H7 | 109.5° | 109.5° |
H6 | CAB | H7 | 109.4° | 109.5° |
H10 | CAO | H11 | 109.5° | 109.5° |
H12 | CAQ | H13 | 109.5° | 109.4° |
H14 | CAC | H15 | 109.4° | 109.5° |
H14 | CAC | H16 | 109.5° | 109.5° |
H15 | CAC | H16 | 109.5° | 109.5° |
H18 | CAP | H19 | 109.5° | 109.5° |
H25 | CAR | H26 | 109.4° | 110.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAH | CAZ | CBC | CAP | 4.0° | 0.1° |
OAH | CAZ | CBC | CBD | 179.7° | 180.0° |
OAH | CAZ | CBD | CAV | 3.1° | 0.7° |
OAH | CAZ | CBC | CAY | 176.6° | 179.6° |
OAH | CAZ | CBD | CBB | 178.9° | 179.5° |
OAD | CAV | CBD | CAZ | 10.6° | 12.0° |
OAD | CAV | CBD | CAR | 178.2° | 180.0° |
OAD | CAV | CBD | CBB | 165.0° | 167.8° |
OAD | CAV | CAR | CBE | 142.0° | 139.8° |
OAD | CAV | CAR | H25 | 21.9° | 20.4° |
OAD | CAV | CAR | H26 | 98.0° | 100.8° |
CAC | CAU | CAQ | CAJ | 174.6° | 180.0° |
CAC | CAU | CAJ | CAP | 11.5° | 5.2° |
CAC | CAU | CAQ | CAO | 167.9° | 85.0° |
CAC | CAU | CAQ | H12 | 46.7° | 155.0° |
CAC | CAU | CAQ | H13 | 71.0° | 35.0° |
CAU | CAC | H14 | H15 | 120.0° | 120.0° |
CAU | CAC | H14 | H16 | 120.0° | 120.0° |
CAU | CAC | H15 | H16 | 120.0° | 120.0° |
CAC | CAU | CAJ | H17 | 168.5° | 174.9° |
CAQ | CAU | CAJ | CAP | 174.5° | 174.9° |
CAU | CAQ | CAO | H12 | 121.1° | 120.1° |
CAU | CAQ | CAO | H13 | 121.1° | 120.0° |
CAU | CAQ | CAO | CAI | 56.6° | 180.0° |
CAU | CAQ | CAO | H10 | 64.5° | 59.9° |
CAU | CAQ | CAO | H11 | 177.6° | 60.0° |
CAU | CAQ | H12 | H13 | 116.4° | 120.0° |
CAQ | CAU | CAC | H14 | 180.0° | 5.3° |
CAQ | CAU | CAC | H15 | 60.0° | 114.7° |
CAQ | CAU | CAC | H16 | 60.0° | 125.3° |
CAQ | CAU | CAJ | H17 | 5.5° | 5.1° |
CAU | CAJ | CAP | H17 | 180.0° | 179.9° |
CAU | CAJ | CAP | CBC | 172.7° | 125.8° |
CAJ | CAU | CAQ | CAO | 17.5° | 95.1° |
CAJ | CAU | CAQ | H12 | 138.7° | 25.0° |
CAJ | CAU | CAQ | H13 | 103.6° | 145.0° |
CAJ | CAU | CAC | H14 | 6.3° | 174.6° |
CAJ | CAU | CAC | H15 | 113.7° | 65.3° |
CAJ | CAU | CAC | H16 | 126.3° | 54.7° |
CAU | CAJ | CAP | H18 | 53.8° | 114.3° |
CAU | CAJ | CAP | H19 | 68.4° | 5.8° |
CAJ | CAP | CBC | H18 | 118.9° | 120.0° |
CAJ | CAP | CBC | H19 | 118.9° | 120.0° |
CAJ | CAP | CBC | CAZ | 61.8° | 89.7° |
CAJ | CAP | CBC | CAY | 110.5° | 90.0° |
CAJ | CAP | H18 | H19 | 123.1° | 120.0° |
CAP | CBC | CAZ | CAY | 172.6° | 179.7° |
CAP | CBC | CAZ | CBD | 175.7° | 179.9° |
CAP | CBC | CAY | OAG | 11.0° | 0.3° |
CAP | CBC | CAY | CAN | 177.2° | 179.8° |
CBC | CAP | CAJ | H17 | 7.3° | 54.2° |
CBC | CAP | H18 | H19 | 123.2° | 120.0° |
CAQ | CAO | CAI | H10 | 121.1° | 120.0° |
CAQ | CAO | CAI | H11 | 121.1° | 119.9° |
CAQ | CAO | CAI | CAT | 168.8° | 125.0° |
CAQ | CAO | CAI | H8 | 11.2° | 55.1° |
CAQ | CAO | H10 | H11 | 116.7° | 119.9° |
CAO | CAQ | H12 | H13 | 116.4° | 119.9° |
CAB | CAT | CAI | CAO | 0.3° | 0.1° |
CAB | CAT | CAI | CAA | 178.4° | 180.0° |
CAB | CAT | CAA | H1 | 180.0° | 90.0° |
CAB | CAT | CAA | H2 | 60.0° | 30.0° |
CAB | CAT | CAA | H3 | 60.0° | 150.0° |
CAT | CAB | H5 | H6 | 120.0° | 120.0° |
CAT | CAB | H5 | H7 | 120.0° | 120.0° |
CAT | CAB | H6 | H7 | 120.0° | 120.0° |
CAB | CAT | CAI | H8 | 179.8° | 180.0° |
CAO | CAI | CAT | H8 | 180.0° | 179.9° |
CAO | CAI | CAT | CAA | 178.7° | 179.9° |
CAI | CAO | H10 | H11 | 116.6° | 120.0° |
CAI | CAO | CAQ | H12 | 177.7° | 59.9° |
CAI | CAO | CAQ | H13 | 64.6° | 60.0° |
CBC | CAZ | CBD | CAV | 177.1° | 179.3° |
CBC | CAZ | CBD | CBB | 1.4° | 0.4° |
CAZ | CBC | CAY | OAG | 176.4° | 179.9° |
CAZ | CBC | CAY | CAN | 4.6° | 0.1° |
CAZ | CBC | CAP | H18 | 179.2° | 150.3° |
CAZ | CBC | CAP | H19 | 57.0° | 30.3° |
CBC | CAZ | OAH | H20 | 171.8° | 90.0° |
CAZ | CBD | CAV | CBB | 175.6° | 179.8° |
CAZ | CBD | CAV | CAR | 171.2° | 168.0° |
CBD | CAZ | CBC | CAY | 3.1° | 0.4° |
CAZ | CBD | CBB | CAN | 4.3° | 0.2° |
CAZ | CBD | CBB | OAS | 179.5° | 179.4° |
CBD | CAZ | OAH | H20 | 8.5° | 90.0° |
CBD | CAV | CAR | CBE | 36.2° | 40.3° |
CAV | CBD | CBB | CAN | 180.0° | 179.5° |
CAV | CBD | CBB | OAS | 4.7° | 0.9° |
CBD | CAV | CAR | H25 | 156.3° | 159.6° |
CBD | CAV | CAR | H26 | 83.8° | 79.2° |
CAR | CAV | CBD | CBB | 13.2° | 12.3° |
CAV | CAR | CBE | H25 | 120.0° | 119.3° |
CAV | CAR | CBE | H26 | 120.1° | 119.4° |
CAV | CAR | CBE | OAS | 53.7° | 58.9° |
CAV | CAR | CBE | CBA | 167.4° | 178.7° |
CAV | CAR | H25 | H26 | 119.9° | 121.1° |
CAV | CAR | CBE | H27 | 70.1° | 61.3° |
CBC | CAY | OAG | CAN | 171.6° | 179.9° |
CBC | CAY | CAN | CBB | 1.8° | 0.1° |
CAY | CBC | CAP | H18 | 8.4° | 30.1° |
CAY | CBC | CAP | H19 | 130.6° | 150.0° |
CBC | CAY | OAG | H21 | 180.0° | 89.9° |
CBC | CAY | CAN | H22 | 178.2° | 180.0° |
CBD | CBB | CAN | CAY | 2.9° | 0.0° |
CBD | CBB | OAS | CBE | 24.9° | 22.8° |
CBD | CBB | CAN | OAS | 175.0° | 179.6° |
CBD | CBB | CAN | H22 | 177.1° | 180.0° |
CAR | CBE | OAS | CBA | 116.3° | 119.8° |
CAR | CBE | OAS | H27 | 122.6° | 120.0° |
CAR | CBE | CBA | H27 | 120.9° | 120.0° |
CAR | CBE | OAS | CBB | 49.5° | 52.8° |
CAR | CBE | CBA | CAL | 49.1° | 84.8° |
CAR | CBE | CBA | CAM | 128.5° | 95.0° |
CBE | CAR | H25 | H26 | 119.9° | 121.2° |
CAI | CAT | CAA | H1 | 1.6° | 90.0° |
CAI | CAT | CAA | H2 | 118.5° | 150.1° |
CAI | CAT | CAA | H3 | 121.6° | 30.0° |
CAI | CAT | CAB | H5 | 180.0° | 60.0° |
CAI | CAT | CAB | H6 | 60.0° | 180.0° |
CAI | CAT | CAB | H7 | 60.0° | 60.0° |
CAT | CAI | CAO | H10 | 47.7° | 115.0° |
CAT | CAI | CAO | H11 | 70.1° | 5.1° |
CAT | CAA | H1 | H2 | 120.0° | 120.0° |
CAT | CAA | H1 | H3 | 120.0° | 120.0° |
CAT | CAA | H2 | H3 | 119.9° | 120.0° |
CAA | CAT | CAB | H5 | 1.6° | 120.0° |
CAA | CAT | CAB | H6 | 118.4° | 0.0° |
CAA | CAT | CAB | H7 | 121.6° | 120.0° |
CAA | CAT | CAI | H8 | 1.3° | 0.0° |
OAG | CAY | CAN | CBB | 173.2° | 179.9° |
OAG | CAY | CAN | H22 | 6.8° | 0.1° |
CAY | CAN | CBB | H22 | 180.0° | 180.0° |
CAY | CAN | CBB | OAS | 177.8° | 179.6° |
CAN | CAY | OAG | H21 | 8.4° | 90.0° |
OAS | CBE | CBA | H27 | 120.9° | 120.4° |
CBE | OAS | CBB | CAN | 159.9° | 157.6° |
OAS | CBE | CBA | CAL | 167.3° | 34.7° |
OAS | CBE | CBA | CAM | 10.4° | 145.5° |
OAS | CBE | CAR | H25 | 173.7° | 178.2° |
OAS | CBE | CAR | H26 | 66.3° | 60.5° |
CBA | CBE | OAS | CBB | 165.8° | 172.6° |
CBE | CBA | CAL | CAM | 177.6° | 179.8° |
CBE | CBA | CAL | CAK | 179.9° | 179.7° |
CBE | CBA | CAM | CAX | 179.6° | 179.9° |
CBA | CBE | CAR | H25 | 72.6° | 62.0° |
CBA | CBE | CAR | H26 | 47.4° | 59.3° |
CBE | CBA | CAM | H28 | 0.3° | 0.0° |
CBE | CBA | CAL | H32 | 0.2° | 0.1° |
OAS | CBB | CAN | H22 | 2.2° | 0.4° |
CBB | OAS | CBE | H27 | 73.0° | 67.1° |
CBA | CAL | CAK | H32 | 180.0° | 179.8° |
CBA | CAL | CAK | CAW | 1.8° | 0.5° |
CAL | CBA | CAM | CAX | 2.1° | 0.3° |
CAL | CBA | CBE | H27 | 71.8° | 155.2° |
CAL | CBA | CAM | H28 | 177.8° | 179.8° |
CBA | CAL | CAK | H31 | 178.2° | 179.8° |
CAK | CAL | CBA | CAM | 2.5° | 0.5° |
CAL | CAK | CAW | H31 | 180.0° | 179.7° |
CAL | CAK | CAW | CAX | 0.8° | 0.3° |
CAL | CAK | CAW | OAE | 179.6° | 179.7° |
CBA | CAM | CAX | H28 | 180.0° | 179.9° |
CBA | CAM | CAX | CAW | 1.0° | 0.0° |
CBA | CAM | CAX | OAF | 177.6° | 179.9° |
CAM | CBA | CBE | H27 | 110.5° | 25.0° |
CAM | CBA | CAL | H32 | 177.5° | 179.7° |
CAK | CAW | CAX | CAM | 0.3° | 0.1° |
CAK | CAW | CAX | OAE | 179.6° | 180.0° |
CAK | CAW | CAX | OAF | 178.3° | 180.0° |
CAK | CAW | OAE | H30 | 180.0° | 90.0° |
CAW | CAK | CAL | H32 | 178.2° | 179.7° |
CAM | CAX | CAW | OAF | 178.6° | 179.9° |
CAM | CAX | CAW | OAE | 179.9° | 180.0° |
CAM | CAX | OAF | H29 | 180.0° | 90.0° |
CAW | CAX | CAM | H28 | 179.0° | 180.0° |
CAW | CAX | OAF | H29 | 1.5° | 89.9° |
CAX | CAW | OAE | H30 | 0.4° | 90.1° |
CAX | CAW | CAK | H31 | 179.2° | 180.0° |
OAE | CAW | CAX | OAF | 1.3° | 0.1° |
OAE | CAW | CAK | H31 | 0.4° | 0.0° |
OAF | CAX | CAM | H28 | 2.4° | 0.1° |
H1 | CAA | H2 | H3 | 120.0° | 120.0° |
H5 | CAB | H6 | H7 | 120.0° | 120.0° |
H8 | CAI | CAO | H10 | 132.3° | 65.0° |
H8 | CAI | CAO | H11 | 109.8° | 175.0° |
H10 | CAO | CAQ | H12 | 56.6° | 180.0° |
H10 | CAO | CAQ | H13 | 174.4° | 60.1° |
H11 | CAO | CAQ | H12 | 61.2° | 60.0° |
H11 | CAO | CAQ | H13 | 56.5° | 180.0° |
H14 | CAC | H15 | H16 | 120.0° | 120.0° |
H17 | CAJ | CAP | H18 | 126.3° | 65.8° |
H17 | CAJ | CAP | H19 | 111.6° | 174.2° |
H25 | CAR | CBE | H27 | 49.9° | 58.0° |
H26 | CAR | CBE | H27 | 169.9° | 179.3° |
H31 | CAK | CAL | H32 | 1.8° | 0.0° |