EV8
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
SAZ | CAW | sing | 1.76Å | 1.73Å | Aromatic |
SAZ | CBA | sing | 1.76Å | 1.74Å | Aromatic |
OAN | CAL | doub | 1.22Å | 1.23Å | |
CAV | CAW | doub | 1.39Å | 1.35Å | Aromatic |
CAV | CAM | sing | 1.39Å | 1.40Å | Aromatic |
CAW | CAX | sing | 1.40Å | 1.39Å | Aromatic |
NBB | CBA | sing | 1.38Å | 1.32Å | |
CAL | CAM | sing | 1.47Å | 1.40Å | |
CAL | NAK | sing | 1.35Å | 1.36Å | |
CBA | NAY | doub | 1.29Å | 1.34Å | Aromatic |
CAM | CAU | doub | 1.40Å | 1.41Å | Aromatic |
CAX | NAY | sing | 1.34Å | 1.38Å | Aromatic |
CAX | CAT | doub | 1.41Å | 1.37Å | Aromatic |
CAU | CAT | sing | 1.36Å | 1.41Å | Aromatic |
NAK | CAG | sing | 1.46Å | 1.50Å | |
CAG | CAD | sing | 1.51Å | 1.43Å | |
CAC | CAD | doub | 1.38Å | 1.41Å | Aromatic |
CAC | CAB | sing | 1.38Å | 1.41Å | Aromatic |
CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
OBD | CBC | doub | 1.21Å | 1.23Å | |
CAB | CAA | doub | 1.40Å | 1.41Å | Aromatic |
CAE | CAF | doub | 1.38Å | 1.40Å | Aromatic |
CBC | OBE | sing | 1.34Å | 1.39Å | |
CBC | CAQ | sing | 1.51Å | 1.56Å | |
CAS | CAR | sing | 1.53Å | 1.55Å | |
CAS | NAJ | sing | 1.47Å | 1.51Å | |
OBE | CBF | sing | 1.45Å | 1.45Å | |
CAA | CAF | sing | 1.40Å | 1.40Å | Aromatic |
CAA | CAH | sing | 1.48Å | 1.42Å | |
CAR | CAQ | sing | 1.53Å | 1.57Å | |
CAQ | CAP | sing | 1.53Å | 1.57Å | |
NAJ | CAH | sing | 1.35Å | 1.37Å | |
NAJ | CAO | sing | 1.47Å | 1.50Å | |
CAH | OAI | doub | 1.22Å | 1.24Å | |
CAP | CAO | sing | 1.53Å | 1.52Å | |
CBF | H1 | sing | 1.09Å | 1.10Å | |
CBF | H2 | sing | 1.09Å | 1.10Å | |
CBF | H3 | sing | 1.09Å | 1.10Å | |
CAQ | H4 | sing | 1.09Å | 1.10Å | |
CAR | H5 | sing | 1.09Å | 1.10Å | |
CAR | H6 | sing | 1.09Å | 1.10Å | |
CAS | H7 | sing | 1.09Å | 1.10Å | |
CAS | H8 | sing | 1.09Å | 1.10Å | |
CAP | H9 | sing | 1.09Å | 1.10Å | |
CAP | H10 | sing | 1.09Å | 1.10Å | |
CAO | H11 | sing | 1.09Å | 1.10Å | |
CAO | H12 | sing | 1.09Å | 1.10Å | |
CAF | H13 | sing | 1.08Å | 1.08Å | |
CAE | H14 | sing | 1.08Å | 1.08Å | |
CAB | H15 | sing | 1.08Å | 1.08Å | |
CAC | H16 | sing | 1.08Å | 1.08Å | |
CAG | H17 | sing | 1.09Å | 1.10Å | |
CAG | H18 | sing | 1.09Å | 1.10Å | |
NAK | H19 | sing | 0.97Å | 1.00Å | |
CAV | H20 | sing | 1.08Å | 1.08Å | |
NBB | H21 | sing | 0.97Å | 1.00Å | |
NBB | H22 | sing | 0.97Å | 1.00Å | |
CAT | H23 | sing | 1.08Å | 1.08Å | |
CAU | H24 | sing | 1.08Å | 1.08Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAW | SAZ | CBA | 91.8° | 90.4° |
SAZ | CAW | CAV | 129.3° | 131.1° |
SAZ | CAW | CAX | 109.4° | 108.4° |
SAZ | CBA | NBB | 123.2° | 124.8° |
SAZ | CBA | NAY | 110.1° | 110.4° |
OAN | CAL | CAM | 119.5° | 120.0° |
OAN | CAL | NAK | 122.4° | 120.0° |
CAW | CAV | CAM | 120.9° | 119.9° |
CAV | CAW | CAX | 121.3° | 120.5° |
CAW | CAV | H20 | 119.6° | 120.1° |
CAV | CAM | CAL | 116.7° | 120.2° |
CAV | CAM | CAU | 119.6° | 119.6° |
CAM | CAV | H20 | 119.6° | 120.0° |
CAW | CAX | NAY | 113.4° | 112.8° |
CAW | CAX | CAT | 118.6° | 118.6° |
NBB | CBA | NAY | 126.8° | 124.8° |
CBA | NBB | H21 | 109.5° | 120.0° |
CBA | NBB | H22 | 109.5° | 120.0° |
CAM | CAL | NAK | 116.5° | 120.0° |
CAL | CAM | CAU | 123.5° | 120.2° |
CAL | NAK | CAG | 122.2° | 120.0° |
CAL | NAK | H19 | 118.9° | 120.0° |
CBA | NAY | CAX | 115.3° | 118.0° |
CAM | CAU | CAT | 117.3° | 120.6° |
CAM | CAU | H24 | 121.3° | 119.7° |
NAY | CAX | CAT | 127.9° | 128.6° |
CAX | CAT | CAU | 122.2° | 120.8° |
CAX | CAT | H23 | 118.9° | 119.6° |
CAU | CAT | H23 | 118.9° | 119.6° |
CAT | CAU | H24 | 121.3° | 119.7° |
NAK | CAG | CAD | 102.8° | 109.5° |
NAK | CAG | H17 | 111.1° | 109.5° |
NAK | CAG | H18 | 111.2° | 109.5° |
CAG | NAK | H19 | 118.9° | 120.0° |
CAG | CAD | CAC | 121.5° | 119.9° |
CAG | CAD | CAE | 120.0° | 119.9° |
CAD | CAG | H17 | 111.1° | 109.4° |
CAD | CAG | H18 | 111.1° | 109.4° |
CAD | CAC | CAB | 120.1° | 120.2° |
CAC | CAD | CAE | 118.3° | 120.2° |
CAD | CAC | H16 | 119.9° | 119.9° |
CAC | CAB | CAA | 121.4° | 119.8° |
CAC | CAB | H15 | 119.3° | 120.1° |
CAB | CAC | H16 | 120.0° | 119.9° |
CAD | CAE | CAF | 121.6° | 120.2° |
CAD | CAE | H14 | 119.2° | 119.9° |
OBD | CBC | OBE | 123.2° | 120.0° |
OBD | CBC | CAQ | 119.1° | 120.0° |
CAB | CAA | CAF | 118.1° | 119.8° |
CAB | CAA | CAH | 122.3° | 120.1° |
CAA | CAB | H15 | 119.3° | 120.1° |
CAE | CAF | CAA | 120.4° | 119.8° |
CAE | CAF | H13 | 119.8° | 120.1° |
CAF | CAE | H14 | 119.2° | 119.9° |
OBE | CBC | CAQ | 117.7° | 120.0° |
CBC | OBE | CBF | 114.7° | 117.0° |
CBC | CAQ | CAR | 111.2° | 109.5° |
CBC | CAQ | CAP | 111.1° | 109.4° |
CBC | CAQ | H4 | 107.1° | 109.4° |
CAR | CAS | NAJ | 111.8° | 108.7° |
CAS | CAR | CAQ | 111.9° | 109.3° |
CAS | CAR | H5 | 108.9° | 109.5° |
CAS | CAR | H6 | 108.9° | 109.5° |
CAR | CAS | H7 | 108.9° | 109.6° |
CAR | CAS | H8 | 108.9° | 109.6° |
CAS | NAJ | CAH | 125.0° | 120.6° |
CAS | NAJ | CAO | 117.5° | 118.8° |
NAJ | CAS | H7 | 108.9° | 109.6° |
NAJ | CAS | H8 | 108.9° | 109.6° |
OBE | CBF | H1 | 109.5° | 109.5° |
OBE | CBF | H2 | 109.5° | 109.5° |
OBE | CBF | H3 | 109.4° | 109.4° |
CAF | CAA | CAH | 119.7° | 120.1° |
CAA | CAF | H13 | 119.8° | 120.1° |
CAA | CAH | NAJ | 122.2° | 120.0° |
CAA | CAH | OAI | 118.0° | 120.0° |
CAR | CAQ | CAP | 113.0° | 109.6° |
CAR | CAQ | H4 | 107.0° | 109.5° |
CAQ | CAR | H5 | 108.9° | 109.5° |
CAQ | CAR | H6 | 108.9° | 109.5° |
CAQ | CAP | CAO | 113.1° | 109.3° |
CAP | CAQ | H4 | 107.1° | 109.5° |
CAQ | CAP | H9 | 108.6° | 109.5° |
CAQ | CAP | H10 | 108.5° | 109.5° |
CAH | NAJ | CAO | 117.4° | 120.6° |
NAJ | CAH | OAI | 119.8° | 120.0° |
NAJ | CAO | CAP | 111.6° | 108.8° |
NAJ | CAO | H11 | 109.0° | 109.6° |
NAJ | CAO | H12 | 108.9° | 109.7° |
CAO | CAP | H9 | 108.5° | 109.5° |
CAO | CAP | H10 | 108.5° | 109.5° |
CAP | CAO | H11 | 108.9° | 109.6° |
CAP | CAO | H12 | 108.9° | 109.6° |
H1 | CBF | H2 | 109.5° | 109.5° |
H1 | CBF | H3 | 109.5° | 109.5° |
H2 | CBF | H3 | 109.5° | 109.4° |
H5 | CAR | H6 | 109.5° | 109.5° |
H7 | CAS | H8 | 109.5° | 109.7° |
H9 | CAP | H10 | 109.5° | 109.5° |
H11 | CAO | H12 | 109.5° | 109.6° |
H17 | CAG | H18 | 109.5° | 109.5° |
H21 | NBB | H22 | 109.4° | 120.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
SAZ | CAW | CAV | CAX | 179.4° | 180.0° |
SAZ | CAW | CAV | CAM | 178.8° | 180.0° |
CAW | SAZ | CBA | NBB | 179.1° | 180.0° |
CAW | SAZ | CBA | NAY | 1.8° | 0.0° |
SAZ | CAW | CAX | NAY | 1.8° | 0.0° |
SAZ | CAW | CAX | CAT | 178.6° | 180.0° |
SAZ | CAW | CAV | H20 | 1.3° | 0.0° |
CBA | SAZ | CAW | CAV | 178.5° | 180.0° |
CBA | SAZ | CAW | CAX | 2.0° | 0.0° |
SAZ | CBA | NBB | NAY | 178.9° | 180.0° |
SAZ | CBA | NAY | CAX | 1.1° | 0.0° |
SAZ | CBA | NBB | H21 | 0.0° | 0.1° |
SAZ | CBA | NBB | H22 | 120.0° | 180.0° |
OAN | CAL | CAM | CAV | 8.1° | 0.2° |
OAN | CAL | CAM | NAK | 165.8° | 180.0° |
OAN | CAL | CAM | CAU | 176.7° | 180.0° |
OAN | CAL | NAK | CAG | 2.7° | 0.0° |
OAN | CAL | NAK | H19 | 177.3° | 180.0° |
CAW | CAV | CAM | H20 | 180.0° | 180.0° |
CAW | CAV | CAM | CAL | 177.3° | 180.0° |
CAW | CAV | CAM | CAU | 1.9° | 0.3° |
CAV | CAW | CAX | NAY | 178.7° | 180.0° |
CAV | CAW | CAX | CAT | 1.9° | 0.0° |
CAM | CAV | CAW | CAX | 0.6° | 0.0° |
CAV | CAM | CAL | CAU | 175.2° | 179.7° |
CAV | CAM | CAL | NAK | 157.7° | 179.7° |
CAV | CAM | CAU | CAT | 0.6° | 0.6° |
CAV | CAM | CAU | H24 | 179.4° | 179.8° |
CAW | CAX | NAY | CBA | 0.4° | 0.0° |
CAW | CAX | NAY | CAT | 176.4° | 180.0° |
CAW | CAX | CAT | CAU | 3.2° | 0.3° |
CAX | CAW | CAV | H20 | 179.4° | 180.0° |
CAW | CAX | CAT | H23 | 176.8° | 179.9° |
NBB | CBA | NAY | CAX | 179.8° | 180.0° |
CBA | NBB | H21 | H22 | 120.0° | 179.9° |
CAL | CAM | CAU | CAT | 175.7° | 179.7° |
CAM | CAL | NAK | CAG | 168.0° | 180.0° |
CAM | CAL | NAK | H19 | 12.0° | 0.0° |
CAL | CAM | CAV | H20 | 2.7° | 0.0° |
CAL | CAM | CAU | H24 | 4.3° | 0.0° |
NAK | CAL | CAM | CAU | 17.5° | 0.0° |
CAL | NAK | CAG | H19 | 180.0° | 180.0° |
CAL | NAK | CAG | CAD | 84.6° | 180.0° |
CAL | NAK | CAG | H17 | 156.5° | 60.0° |
CAL | NAK | CAG | H18 | 34.3° | 60.0° |
CBA | NAY | CAX | CAT | 176.9° | 180.0° |
NAY | CBA | NBB | H21 | 178.9° | 180.0° |
NAY | CBA | NBB | H22 | 59.0° | 0.0° |
CAM | CAU | CAT | CAX | 1.9° | 0.6° |
CAM | CAU | CAT | H24 | 180.0° | 179.7° |
CAU | CAM | CAV | H20 | 178.1° | 179.7° |
CAM | CAU | CAT | H23 | 178.1° | 179.6° |
NAY | CAX | CAT | CAU | 179.5° | 179.7° |
NAY | CAX | CAT | H23 | 0.5° | 0.1° |
CAX | CAT | CAU | H23 | 180.0° | 179.8° |
CAX | CAT | CAU | H24 | 178.0° | 179.8° |
NAK | CAG | CAD | H17 | 118.9° | 120.0° |
NAK | CAG | CAD | H18 | 119.0° | 120.0° |
NAK | CAG | CAD | CAC | 102.2° | 90.0° |
NAK | CAG | CAD | CAE | 72.9° | 90.8° |
NAK | CAG | H17 | H18 | 123.1° | 120.0° |
CAG | CAD | CAC | CAE | 175.2° | 179.2° |
CAG | CAD | CAC | CAB | 177.8° | 180.0° |
CAG | CAD | CAE | CAF | 178.9° | 179.8° |
CAG | CAD | CAE | H14 | 1.1° | 0.3° |
CAG | CAD | CAC | H16 | 2.2° | 0.8° |
CAD | CAG | H17 | H18 | 123.1° | 119.9° |
CAD | CAG | NAK | H19 | 95.4° | 0.0° |
CAD | CAC | CAB | H16 | 180.0° | 179.2° |
CAD | CAC | CAB | CAA | 1.1° | 0.5° |
CAC | CAD | CAE | CAF | 3.6° | 0.6° |
CAC | CAD | CAE | H14 | 176.4° | 179.5° |
CAD | CAC | CAB | H15 | 178.9° | 179.5° |
CAC | CAD | CAG | H17 | 138.8° | 150.0° |
CAC | CAD | CAG | H18 | 16.7° | 30.0° |
CAB | CAC | CAD | CAE | 2.6° | 0.8° |
CAC | CAB | CAA | H15 | 180.0° | 180.0° |
CAC | CAB | CAA | CAF | 0.4° | 0.0° |
CAC | CAB | CAA | CAH | 179.8° | 179.7° |
CAD | CAE | CAF | H14 | 180.0° | 179.9° |
CAD | CAE | CAF | CAA | 3.0° | 0.1° |
CAD | CAE | CAF | H13 | 177.0° | 180.0° |
CAE | CAD | CAC | H16 | 177.4° | 180.0° |
CAE | CAD | CAG | H17 | 46.0° | 29.3° |
CAE | CAD | CAG | H18 | 168.2° | 149.2° |
OBD | CBC | OBE | CAQ | 178.5° | 180.0° |
OBD | CBC | OBE | CBF | 82.4° | 0.0° |
OBD | CBC | CAQ | CAR | 21.9° | 120.1° |
OBD | CBC | CAQ | CAP | 148.6° | 0.0° |
OBD | CBC | CAQ | H4 | 94.7° | 120.0° |
CAB | CAA | CAF | CAE | 1.4° | 0.2° |
CAB | CAA | CAF | CAH | 179.3° | 179.7° |
CAB | CAA | CAH | NAJ | 52.6° | 41.4° |
CAB | CAA | CAH | OAI | 128.3° | 138.6° |
CAB | CAA | CAF | H13 | 178.6° | 179.7° |
CAA | CAB | CAC | H16 | 178.9° | 179.7° |
CAE | CAF | CAA | H13 | 180.0° | 180.0° |
CAE | CAF | CAA | CAH | 179.3° | 179.9° |
OBE | CBC | CAQ | CAR | 156.7° | 59.9° |
OBE | CBC | CAQ | CAP | 29.9° | 180.0° |
CBC | OBE | CBF | H1 | 180.0° | 60.0° |
CBC | OBE | CBF | H2 | 60.0° | 180.0° |
CBC | OBE | CBF | H3 | 60.0° | 60.1° |
OBE | CBC | CAQ | H4 | 86.7° | 60.0° |
CBC | CAQ | CAR | CAS | 79.8° | 178.6° |
CAQ | CBC | OBE | CBF | 99.1° | 180.0° |
CBC | CAQ | CAR | CAP | 125.8° | 120.0° |
CBC | CAQ | CAR | H4 | 116.6° | 120.0° |
CBC | CAQ | CAP | H4 | 116.7° | 119.9° |
CBC | CAQ | CAP | CAO | 130.6° | 178.6° |
CBC | CAQ | CAR | H5 | 40.5° | 58.7° |
CBC | CAQ | CAR | H6 | 159.8° | 61.4° |
CBC | CAQ | CAP | H9 | 10.0° | 61.4° |
CBC | CAQ | CAP | H10 | 108.9° | 58.6° |
CAR | CAS | NAJ | H7 | 120.3° | 119.8° |
CAR | CAS | NAJ | H8 | 120.4° | 119.8° |
CAS | CAR | CAQ | H5 | 120.4° | 119.9° |
CAS | CAR | CAQ | H6 | 120.3° | 120.0° |
CAS | CAR | CAQ | CAP | 45.9° | 61.4° |
CAR | CAS | NAJ | CAH | 175.5° | 126.4° |
CAR | CAS | NAJ | CAO | 2.8° | 53.6° |
CAS | CAR | CAQ | H4 | 163.5° | 58.7° |
CAS | CAR | H5 | H6 | 118.9° | 120.1° |
CAR | CAS | H7 | H8 | 118.9° | 120.4° |
CAS | NAJ | CAH | CAA | 0.7° | 5.8° |
NAJ | CAS | CAR | CAQ | 50.1° | 54.6° |
CAS | NAJ | CAH | CAO | 178.4° | 179.9° |
CAS | NAJ | CAH | OAI | 178.4° | 174.2° |
CAS | NAJ | CAO | CAP | 48.9° | 53.6° |
NAJ | CAS | CAR | H5 | 170.4° | 174.6° |
NAJ | CAS | CAR | H6 | 70.3° | 65.3° |
NAJ | CAS | H7 | H8 | 119.0° | 120.3° |
CAS | NAJ | CAO | H11 | 71.4° | 173.4° |
CAS | NAJ | CAO | H12 | 169.2° | 66.2° |
OBE | CBF | H1 | H2 | 120.0° | 120.1° |
OBE | CBF | H1 | H3 | 120.0° | 120.0° |
OBE | CBF | H2 | H3 | 120.0° | 119.9° |
CAF | CAA | CAH | NAJ | 128.1° | 138.9° |
CAF | CAA | CAH | OAI | 51.0° | 41.1° |
CAA | CAF | CAE | H14 | 177.0° | 180.0° |
CAF | CAA | CAB | H15 | 179.6° | 180.0° |
CAA | CAH | NAJ | OAI | 179.1° | 180.0° |
CAA | CAH | NAJ | CAO | 179.0° | 174.2° |
CAH | CAA | CAF | H13 | 0.7° | 0.0° |
CAH | CAA | CAB | H15 | 0.2° | 0.3° |
CAR | CAQ | CAP | H4 | 117.6° | 120.1° |
CAR | CAQ | CAP | CAO | 4.8° | 61.4° |
CAQ | CAR | H5 | H6 | 118.9° | 120.1° |
CAQ | CAR | CAS | H7 | 170.4° | 65.1° |
CAQ | CAR | CAS | H8 | 70.3° | 174.4° |
CAR | CAQ | CAP | H9 | 115.8° | 58.6° |
CAR | CAQ | CAP | H10 | 125.3° | 178.7° |
CAQ | CAP | CAO | NAJ | 51.6° | 54.6° |
CAQ | CAP | CAO | H9 | 120.6° | 119.9° |
CAQ | CAP | CAO | H10 | 120.5° | 120.0° |
CAP | CAQ | CAR | H5 | 166.3° | 178.7° |
CAP | CAQ | CAR | H6 | 74.4° | 58.6° |
CAQ | CAP | H9 | H10 | 118.3° | 120.1° |
CAQ | CAP | CAO | H11 | 68.7° | 174.4° |
CAQ | CAP | CAO | H12 | 171.9° | 65.3° |
CAH | NAJ | CAO | CAP | 132.6° | 126.4° |
CAH | NAJ | CAS | H7 | 55.2° | 113.8° |
CAH | NAJ | CAS | H8 | 64.1° | 6.6° |
CAH | NAJ | CAO | H11 | 107.1° | 6.7° |
CAH | NAJ | CAO | H12 | 12.3° | 113.7° |
CAO | NAJ | CAH | OAI | 0.0° | 5.9° |
NAJ | CAO | CAP | H11 | 120.3° | 119.8° |
NAJ | CAO | CAP | H12 | 120.3° | 119.9° |
CAO | NAJ | CAS | H7 | 123.2° | 66.1° |
CAO | NAJ | CAS | H8 | 117.5° | 173.4° |
NAJ | CAO | CAP | H9 | 68.9° | 65.3° |
NAJ | CAO | CAP | H10 | 172.1° | 174.6° |
NAJ | CAO | H11 | H12 | 119.0° | 120.4° |
CAO | CAP | CAQ | H4 | 112.8° | 58.7° |
CAO | CAP | H9 | H10 | 118.3° | 120.1° |
CAP | CAO | H11 | H12 | 119.0° | 120.3° |
H1 | CBF | H2 | H3 | 120.0° | 120.0° |
H4 | CAQ | CAR | H5 | 76.1° | 61.3° |
H4 | CAQ | CAR | H6 | 43.2° | 178.6° |
H4 | CAQ | CAP | H9 | 126.7° | 178.6° |
H4 | CAQ | CAP | H10 | 7.7° | 61.3° |
H5 | CAR | CAS | H7 | 69.2° | 54.8° |
H5 | CAR | CAS | H8 | 50.1° | 65.7° |
H6 | CAR | CAS | H7 | 50.1° | 174.9° |
H6 | CAR | CAS | H8 | 169.4° | 54.4° |
H9 | CAP | CAO | H11 | 170.7° | 54.5° |
H9 | CAP | CAO | H12 | 51.3° | 174.8° |
H10 | CAP | CAO | H11 | 51.8° | 65.6° |
H10 | CAP | CAO | H12 | 67.6° | 54.7° |
H13 | CAF | CAE | H14 | 3.0° | 0.1° |
H15 | CAB | CAC | H16 | 1.1° | 0.3° |
H17 | CAG | NAK | H19 | 23.5° | 120.0° |
H18 | CAG | NAK | H19 | 145.7° | 120.0° |
H23 | CAT | CAU | H24 | 1.9° | 0.0° |