EVZ
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAF | CAG | sing | 1.53Å | 1.56Å | |
CAF | CAE | sing | 1.53Å | 1.57Å | |
CAG | NAJ | sing | 1.47Å | 1.52Å | |
OAL | CAK | doub | 1.22Å | 1.24Å | |
OAB | CAC | sing | 1.34Å | 1.36Å | |
OAB | CAA | sing | 1.45Å | 1.44Å | |
CAK | NAJ | sing | 1.35Å | 1.36Å | |
CAK | CAM | sing | 1.48Å | 1.42Å | |
NAJ | CAI | sing | 1.47Å | 1.49Å | |
CAE | CAC | sing | 1.51Å | 1.57Å | |
CAE | CAH | sing | 1.53Å | 1.56Å | |
CAC | OAD | doub | 1.21Å | 1.23Å | |
CAN | CAM | doub | 1.40Å | 1.41Å | Aromatic |
CAN | CAO | sing | 1.38Å | 1.40Å | Aromatic |
CAM | CAP | sing | 1.40Å | 1.40Å | Aromatic |
CAI | CAH | sing | 1.53Å | 1.52Å | |
CAO | CAR | doub | 1.38Å | 1.41Å | Aromatic |
CAP | CAQ | doub | 1.38Å | 1.42Å | Aromatic |
CAR | CAQ | sing | 1.38Å | 1.40Å | Aromatic |
CAR | CAS | sing | 1.51Å | 1.40Å | |
CBB | CBC | doub | 1.36Å | 1.41Å | Aromatic |
CBB | CBA | sing | 1.41Å | 1.37Å | Aromatic |
NAZ | CBA | sing | 1.35Å | 1.38Å | Aromatic |
NAZ | CAX | doub | 1.29Å | 1.37Å | Aromatic |
CAS | SBD | sing | 1.81Å | 1.86Å | |
CBC | CAT | sing | 1.39Å | 1.42Å | Aromatic |
CBA | CAV | doub | 1.40Å | 1.41Å | Aromatic |
NAY | CAX | sing | 1.38Å | 1.35Å | |
CAX | SAW | sing | 1.76Å | 1.80Å | Aromatic |
CAT | CAU | doub | 1.38Å | 1.41Å | Aromatic |
CAT | SBD | sing | 1.76Å | 1.79Å | |
CAV | CAU | sing | 1.39Å | 1.33Å | Aromatic |
CAV | SAW | sing | 1.76Å | 1.74Å | Aromatic |
CAO | H1 | sing | 1.08Å | 1.08Å | |
CAN | H2 | sing | 1.08Å | 1.08Å | |
CAU | H3 | sing | 1.08Å | 1.08Å | |
CBC | H4 | sing | 1.08Å | 1.08Å | |
CAS | H5 | sing | 1.09Å | 1.10Å | |
CAS | H6 | sing | 1.09Å | 1.10Å | |
CAQ | H7 | sing | 1.08Å | 1.08Å | |
CAP | H8 | sing | 1.08Å | 1.08Å | |
CBB | H9 | sing | 1.08Å | 1.08Å | |
CAA | H10 | sing | 1.09Å | 1.10Å | |
CAA | H11 | sing | 1.09Å | 1.10Å | |
CAA | H12 | sing | 1.09Å | 1.10Å | |
CAE | H13 | sing | 1.09Å | 1.10Å | |
CAH | H14 | sing | 1.09Å | 1.10Å | |
CAH | H15 | sing | 1.09Å | 1.10Å | |
CAI | H16 | sing | 1.09Å | 1.10Å | |
CAI | H17 | sing | 1.09Å | 1.10Å | |
CAF | H18 | sing | 1.09Å | 1.10Å | |
CAF | H19 | sing | 1.09Å | 1.10Å | |
CAG | H20 | sing | 1.09Å | 1.10Å | |
CAG | H21 | sing | 1.09Å | 1.10Å | |
NAY | H22 | sing | 0.97Å | 1.00Å | |
NAY | H23 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAG | CAF | CAE | 111.7° | 109.4° |
CAF | CAG | NAJ | 112.6° | 108.7° |
CAG | CAF | H18 | 108.9° | 109.5° |
CAG | CAF | H19 | 108.9° | 109.5° |
CAF | CAG | H20 | 108.7° | 109.6° |
CAF | CAG | H21 | 108.7° | 109.6° |
CAF | CAE | CAC | 116.1° | 109.5° |
CAF | CAE | CAH | 113.6° | 109.5° |
CAF | CAE | H13 | 106.0° | 109.4° |
CAE | CAF | H18 | 108.9° | 109.5° |
CAE | CAF | H19 | 108.9° | 109.5° |
CAG | NAJ | CAK | 120.8° | 120.6° |
CAG | NAJ | CAI | 116.6° | 118.7° |
NAJ | CAG | H20 | 108.7° | 109.6° |
NAJ | CAG | H21 | 108.7° | 109.6° |
OAL | CAK | NAJ | 119.5° | 120.0° |
OAL | CAK | CAM | 118.7° | 120.0° |
CAC | OAB | CAA | 101.6° | 116.9° |
OAB | CAC | CAE | 119.3° | 120.0° |
OAB | CAC | OAD | 121.3° | 120.0° |
OAB | CAA | H10 | 109.5° | 109.5° |
OAB | CAA | H11 | 109.5° | 109.5° |
OAB | CAA | H12 | 109.5° | 109.4° |
NAJ | CAK | CAM | 121.7° | 120.0° |
CAK | NAJ | CAI | 122.6° | 120.6° |
CAK | CAM | CAN | 120.1° | 120.1° |
CAK | CAM | CAP | 123.1° | 120.2° |
NAJ | CAI | CAH | 112.0° | 108.8° |
NAJ | CAI | H16 | 108.8° | 109.6° |
NAJ | CAI | H17 | 108.8° | 109.7° |
CAC | CAE | CAH | 108.3° | 109.5° |
CAE | CAC | OAD | 119.1° | 120.0° |
CAC | CAE | H13 | 106.0° | 109.5° |
CAE | CAH | CAI | 112.3° | 109.3° |
CAH | CAE | H13 | 106.1° | 109.5° |
CAE | CAH | H14 | 108.8° | 109.5° |
CAE | CAH | H15 | 108.8° | 109.5° |
CAM | CAN | CAO | 121.2° | 119.8° |
CAN | CAM | CAP | 116.8° | 119.7° |
CAM | CAN | H2 | 119.4° | 120.1° |
CAN | CAO | CAR | 121.4° | 120.2° |
CAN | CAO | H1 | 119.3° | 120.0° |
CAO | CAN | H2 | 119.4° | 120.1° |
CAM | CAP | CAQ | 123.0° | 119.8° |
CAM | CAP | H8 | 118.5° | 120.1° |
CAI | CAH | H14 | 108.8° | 109.5° |
CAI | CAH | H15 | 108.8° | 109.5° |
CAH | CAI | H16 | 108.8° | 109.6° |
CAH | CAI | H17 | 108.8° | 109.6° |
CAO | CAR | CAQ | 118.3° | 120.3° |
CAO | CAR | CAS | 120.0° | 119.9° |
CAR | CAO | H1 | 119.3° | 119.9° |
CAP | CAQ | CAR | 119.3° | 120.2° |
CAP | CAQ | H7 | 120.4° | 119.9° |
CAQ | CAP | H8 | 118.5° | 120.1° |
CAQ | CAR | CAS | 121.7° | 119.9° |
CAR | CAQ | H7 | 120.3° | 119.9° |
CAR | CAS | SBD | 115.2° | 109.4° |
CAR | CAS | H5 | 108.0° | 109.5° |
CAR | CAS | H6 | 108.0° | 109.5° |
CBC | CBB | CBA | 122.3° | 120.7° |
CBB | CBC | CAT | 115.3° | 120.7° |
CBB | CBC | H4 | 122.4° | 119.7° |
CBC | CBB | H9 | 118.9° | 119.6° |
CBB | CBA | NAZ | 127.3° | 128.7° |
CBB | CBA | CAV | 119.5° | 118.4° |
CBA | CBB | H9 | 118.9° | 119.7° |
CBA | NAZ | CAX | 117.0° | 117.8° |
NAZ | CBA | CAV | 113.2° | 112.9° |
NAZ | CAX | NAY | 126.1° | 124.8° |
NAZ | CAX | SAW | 107.6° | 110.4° |
CAS | SBD | CAT | 109.5° | 103.0° |
SBD | CAS | H5 | 108.0° | 109.5° |
SBD | CAS | H6 | 108.0° | 109.5° |
CBC | CAT | CAU | 122.5° | 119.8° |
CBC | CAT | SBD | 124.4° | 120.1° |
CAT | CBC | H4 | 122.4° | 119.7° |
CBA | CAV | CAU | 121.2° | 120.4° |
CBA | CAV | SAW | 109.8° | 108.4° |
NAY | CAX | SAW | 126.3° | 124.8° |
CAX | NAY | H22 | 109.5° | 120.0° |
CAX | NAY | H23 | 109.5° | 120.0° |
CAX | SAW | CAV | 92.4° | 90.5° |
CAU | CAT | SBD | 113.2° | 120.1° |
CAT | CAU | CAV | 119.3° | 120.0° |
CAT | CAU | H3 | 120.4° | 120.0° |
CAU | CAV | SAW | 129.0° | 131.2° |
CAV | CAU | H3 | 120.3° | 120.0° |
H5 | CAS | H6 | 109.4° | 109.5° |
H10 | CAA | H11 | 109.5° | 109.6° |
H10 | CAA | H12 | 109.5° | 109.4° |
H11 | CAA | H12 | 109.5° | 109.4° |
H14 | CAH | H15 | 109.4° | 109.5° |
H16 | CAI | H17 | 109.5° | 109.6° |
H18 | CAF | H19 | 109.5° | 109.5° |
H20 | CAG | H21 | 109.4° | 109.7° |
H22 | NAY | H23 | 109.5° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAG | CAF | CAE | H18 | 120.3° | 120.0° |
CAG | CAF | CAE | H19 | 120.3° | 119.9° |
CAF | CAG | NAJ | H20 | 120.5° | 119.8° |
CAF | CAG | NAJ | H21 | 120.5° | 119.8° |
CAF | CAG | NAJ | CAK | 159.2° | 126.4° |
CAF | CAG | NAJ | CAI | 22.2° | 53.6° |
CAG | CAF | CAE | CAC | 155.6° | 178.6° |
CAG | CAF | CAE | CAH | 29.1° | 61.4° |
CAG | CAF | CAE | H13 | 87.0° | 58.6° |
CAG | CAF | H18 | H19 | 119.0° | 120.0° |
CAF | CAG | H20 | H21 | 118.6° | 120.4° |
CAE | CAF | CAG | NAJ | 54.4° | 54.6° |
CAF | CAE | CAC | OAB | 35.3° | 59.6° |
CAF | CAE | CAC | CAH | 129.2° | 120.0° |
CAF | CAE | CAC | H13 | 117.4° | 119.9° |
CAF | CAE | CAH | H13 | 116.1° | 120.0° |
CAF | CAE | CAC | OAD | 151.0° | 120.1° |
CAF | CAE | CAH | CAI | 25.9° | 61.3° |
CAF | CAE | CAH | H14 | 146.3° | 58.6° |
CAF | CAE | CAH | H15 | 94.6° | 178.7° |
CAE | CAF | H18 | H19 | 119.0° | 120.1° |
CAE | CAF | CAG | H20 | 66.1° | 65.1° |
CAE | CAF | CAG | H21 | 174.9° | 174.4° |
CAG | NAJ | CAK | OAL | 1.8° | 174.2° |
CAG | NAJ | CAK | CAI | 178.5° | 180.0° |
CAG | NAJ | CAK | CAM | 177.4° | 5.8° |
CAG | NAJ | CAI | CAH | 34.3° | 53.6° |
CAG | NAJ | CAI | H16 | 154.7° | 173.5° |
CAG | NAJ | CAI | H17 | 86.1° | 66.2° |
NAJ | CAG | CAF | H18 | 66.0° | 174.6° |
NAJ | CAG | CAF | H19 | 174.7° | 65.3° |
NAJ | CAG | H20 | H21 | 118.5° | 120.4° |
OAL | CAK | NAJ | CAM | 175.7° | 180.0° |
OAL | CAK | NAJ | CAI | 179.7° | 5.8° |
OAL | CAK | CAM | CAN | 43.1° | 40.9° |
OAL | CAK | CAM | CAP | 137.3° | 138.7° |
OAB | CAC | CAE | OAD | 173.7° | 179.7° |
OAB | CAC | CAE | CAH | 93.9° | 179.7° |
CAC | OAB | CAA | H10 | 180.0° | 60.1° |
CAC | OAB | CAA | H11 | 60.0° | 60.1° |
CAC | OAB | CAA | H12 | 60.0° | 180.0° |
OAB | CAC | CAE | H13 | 152.7° | 60.3° |
CAA | OAB | CAC | CAE | 133.8° | 179.7° |
CAA | OAB | CAC | OAD | 39.8° | 0.0° |
OAB | CAA | H10 | H11 | 120.0° | 120.1° |
OAB | CAA | H10 | H12 | 120.0° | 119.9° |
OAB | CAA | H11 | H12 | 120.0° | 119.9° |
NAJ | CAK | CAM | CAN | 132.6° | 139.2° |
NAJ | CAK | CAM | CAP | 47.0° | 41.2° |
CAK | NAJ | CAI | CAH | 144.3° | 126.4° |
CAK | NAJ | CAI | H16 | 23.9° | 6.6° |
CAK | NAJ | CAI | H17 | 95.3° | 113.8° |
CAK | NAJ | CAG | H20 | 80.3° | 113.8° |
CAK | NAJ | CAG | H21 | 38.7° | 6.6° |
CAM | CAK | NAJ | CAI | 4.0° | 174.2° |
CAK | CAM | CAN | CAP | 179.6° | 179.6° |
CAK | CAM | CAN | CAO | 177.9° | 180.0° |
CAK | CAM | CAP | CAQ | 179.5° | 179.7° |
CAK | CAM | CAN | H2 | 2.0° | 0.1° |
CAK | CAM | CAP | H8 | 0.5° | 0.1° |
NAJ | CAI | CAH | CAE | 59.5° | 54.7° |
NAJ | CAI | CAH | H16 | 120.4° | 119.8° |
NAJ | CAI | CAH | H17 | 120.4° | 119.9° |
NAJ | CAI | CAH | H14 | 179.9° | 65.3° |
NAJ | CAI | CAH | H15 | 60.9° | 174.6° |
NAJ | CAI | H16 | H17 | 118.8° | 120.4° |
CAI | NAJ | CAG | H20 | 98.3° | 66.1° |
CAI | NAJ | CAG | H21 | 142.7° | 173.4° |
CAC | CAE | CAH | H13 | 113.4° | 120.0° |
CAC | CAE | CAH | CAI | 104.7° | 178.6° |
CAC | CAE | CAH | H14 | 15.7° | 61.4° |
CAC | CAE | CAH | H15 | 134.8° | 58.7° |
CAC | CAE | CAF | H18 | 35.3° | 58.6° |
CAC | CAE | CAF | H19 | 84.1° | 61.4° |
CAH | CAE | CAC | OAD | 79.8° | 0.0° |
CAE | CAH | CAI | H14 | 120.4° | 120.0° |
CAE | CAH | CAI | H15 | 120.4° | 119.9° |
CAE | CAH | H14 | H15 | 118.7° | 120.1° |
CAE | CAH | CAI | H16 | 179.9° | 174.5° |
CAE | CAH | CAI | H17 | 60.9° | 65.3° |
CAH | CAE | CAF | H18 | 91.3° | 178.6° |
CAH | CAE | CAF | H19 | 149.4° | 58.6° |
OAD | CAC | CAE | H13 | 33.6° | 120.0° |
CAM | CAN | CAO | H2 | 180.0° | 179.9° |
CAM | CAN | CAO | CAR | 1.8° | 0.1° |
CAN | CAM | CAP | CAQ | 0.1° | 0.7° |
CAM | CAN | CAO | H1 | 178.1° | 179.7° |
CAN | CAM | CAP | H8 | 179.9° | 179.5° |
CAO | CAN | CAM | CAP | 1.7° | 0.4° |
CAN | CAO | CAR | H1 | 180.0° | 179.6° |
CAN | CAO | CAR | CAQ | 0.3° | 0.3° |
CAN | CAO | CAR | CAS | 179.2° | 179.7° |
CAM | CAP | CAQ | H8 | 180.0° | 179.8° |
CAM | CAP | CAQ | CAR | 1.3° | 0.5° |
CAP | CAM | CAN | H2 | 178.3° | 179.5° |
CAM | CAP | CAQ | H7 | 178.7° | 179.5° |
CAI | CAH | CAE | H13 | 141.9° | 58.6° |
CAI | CAH | H14 | H15 | 118.7° | 120.1° |
CAH | CAI | H16 | H17 | 118.9° | 120.3° |
CAO | CAR | CAQ | CAP | 1.2° | 0.0° |
CAO | CAR | CAQ | CAS | 179.5° | 180.0° |
CAO | CAR | CAS | SBD | 139.5° | 90.0° |
CAR | CAO | CAN | H2 | 178.2° | 180.0° |
CAO | CAR | CAS | H5 | 99.6° | 150.0° |
CAO | CAR | CAS | H6 | 18.7° | 30.0° |
CAO | CAR | CAQ | H7 | 178.8° | 180.0° |
CAP | CAQ | CAR | H7 | 180.0° | 180.0° |
CAP | CAQ | CAR | CAS | 179.3° | 180.0° |
CAQ | CAR | CAS | SBD | 41.0° | 90.0° |
CAQ | CAR | CAO | H1 | 179.7° | 179.9° |
CAQ | CAR | CAS | H5 | 79.9° | 30.0° |
CAQ | CAR | CAS | H6 | 161.8° | 150.0° |
CAR | CAQ | CAP | H8 | 178.7° | 179.7° |
CAR | CAS | SBD | H5 | 120.9° | 120.0° |
CAR | CAS | SBD | H6 | 120.8° | 120.0° |
CAR | CAS | SBD | CAT | 79.5° | 180.0° |
CAS | CAR | CAO | H1 | 0.8° | 0.0° |
CAR | CAS | H5 | H6 | 117.4° | 120.0° |
CAS | CAR | CAQ | H7 | 0.7° | 0.1° |
CBC | CBB | CBA | H9 | 180.0° | 179.9° |
CBC | CBB | CBA | NAZ | 178.5° | 179.8° |
CBB | CBC | CAT | H4 | 180.0° | 179.9° |
CBC | CBB | CBA | CAV | 0.4° | 0.2° |
CBB | CBC | CAT | CAU | 2.8° | 0.1° |
CBB | CBC | CAT | SBD | 177.2° | 179.9° |
CBB | CBA | NAZ | CAV | 178.3° | 179.9° |
CBB | CBA | NAZ | CAX | 179.4° | 180.0° |
CBA | CBB | CBC | CAT | 1.6° | 0.1° |
CBB | CBA | CAV | CAU | 1.3° | 0.5° |
CBB | CBA | CAV | SAW | 179.6° | 180.0° |
CBA | CBB | CBC | H4 | 178.5° | 180.0° |
CBA | NAZ | CAX | NAY | 176.8° | 180.0° |
CBA | NAZ | CAX | SAW | 0.5° | 0.0° |
NAZ | CBA | CAV | CAU | 179.7° | 179.5° |
NAZ | CBA | CAV | SAW | 1.2° | 0.0° |
NAZ | CBA | CBB | H9 | 1.5° | 0.3° |
CAX | NAZ | CBA | CAV | 1.2° | 0.0° |
NAZ | CAX | NAY | SAW | 175.6° | 180.0° |
NAZ | CAX | SAW | CAV | 0.2° | 0.0° |
NAZ | CAX | NAY | H22 | 0.0° | 179.9° |
NAZ | CAX | NAY | H23 | 120.0° | 0.1° |
CAS | SBD | CAT | CBC | 45.3° | 0.0° |
CAS | SBD | CAT | CAU | 134.7° | 180.0° |
SBD | CAS | H5 | H6 | 117.4° | 120.0° |
CBC | CAT | CAU | SBD | 180.0° | 180.0° |
CBC | CAT | CAU | CAV | 2.1° | 0.2° |
CBC | CAT | CAU | H3 | 177.9° | 179.9° |
CAT | CBC | CBB | H9 | 178.4° | 180.0° |
CBA | CAV | SAW | CAX | 0.8° | 0.0° |
CBA | CAV | CAU | CAT | 0.0° | 0.5° |
CBA | CAV | CAU | SAW | 178.9° | 179.3° |
CBA | CAV | CAU | H3 | 180.0° | 179.8° |
CAV | CBA | CBB | H9 | 179.6° | 179.7° |
NAY | CAX | SAW | CAV | 176.1° | 180.0° |
CAX | NAY | H22 | H23 | 120.0° | 179.9° |
CAX | SAW | CAV | CAU | 179.8° | 179.4° |
SAW | CAX | NAY | H22 | 175.6° | 0.1° |
SAW | CAX | NAY | H23 | 55.6° | 179.9° |
CAT | CAU | CAV | H3 | 180.0° | 179.7° |
CAT | CAU | CAV | SAW | 178.9° | 179.9° |
CAU | CAT | CBC | H4 | 177.2° | 180.0° |
SBD | CAT | CAU | CAV | 177.9° | 179.8° |
SBD | CAT | CAU | H3 | 2.1° | 0.1° |
SBD | CAT | CBC | H4 | 2.8° | 0.0° |
CAT | SBD | CAS | H5 | 159.6° | 60.0° |
CAT | SBD | CAS | H6 | 41.3° | 60.1° |
SAW | CAV | CAU | H3 | 1.1° | 0.5° |
H1 | CAO | CAN | H2 | 1.8° | 0.4° |
H4 | CBC | CBB | H9 | 1.6° | 0.1° |
H7 | CAQ | CAP | H8 | 1.3° | 0.3° |
H10 | CAA | H11 | H12 | 120.0° | 120.0° |
H13 | CAE | CAH | H14 | 97.6° | 178.6° |
H13 | CAE | CAH | H15 | 21.5° | 61.4° |
H13 | CAE | CAF | H18 | 152.6° | 61.4° |
H13 | CAE | CAF | H19 | 33.3° | 178.6° |
H14 | CAH | CAI | H16 | 59.7° | 54.5° |
H14 | CAH | CAI | H17 | 59.6° | 174.8° |
H15 | CAH | CAI | H16 | 59.5° | 65.6° |
H15 | CAH | CAI | H17 | 178.7° | 54.7° |
H18 | CAF | CAG | H20 | 173.5° | 54.9° |
H18 | CAF | CAG | H21 | 54.5° | 65.6° |
H19 | CAF | CAG | H20 | 54.2° | 174.9° |
H19 | CAF | CAG | H21 | 64.8° | 54.4° |