90E
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAS | CAT | sing | 1.53Å | 1.52Å | |
CAS | CAR | sing | 1.53Å | 1.54Å | |
NAU | CAT | sing | 1.47Å | 1.48Å | |
NAU | CAV | sing | 1.47Å | 1.48Å | |
CAR | CAW | sing | 1.53Å | 1.52Å | |
CAR | NAQ | sing | 1.47Å | 1.47Å | |
CAV | CAW | sing | 1.53Å | 1.50Å | |
CAW | FAX | sing | 1.40Å | 1.32Å | |
CAW | FAY | sing | 1.40Å | 1.39Å | |
NAQ | CAP | sing | 1.35Å | 1.34Å | |
OAZ | CAP | doub | 1.22Å | 1.23Å | |
CAP | CAO | sing | 1.48Å | 1.38Å | |
CBA | CAO | doub | 1.40Å | 1.39Å | Aromatic |
CBA | CAK | sing | 1.39Å | 1.39Å | Aromatic |
CAO | CAN | sing | 1.40Å | 1.39Å | Aromatic |
NAJ | CAK | sing | 1.40Å | 1.35Å | |
NAJ | CAI | sing | 1.38Å | 1.35Å | |
NAH | CAI | doub | 1.30Å | 1.34Å | Aromatic |
NAH | CAG | sing | 1.31Å | 1.36Å | Aromatic |
CAK | CAL | doub | 1.39Å | 1.40Å | Aromatic |
CAI | SBB | sing | 1.71Å | 1.65Å | Aromatic |
CAG | CAF | doub | 1.37Å | 1.35Å | Aromatic |
CAN | CAM | doub | 1.38Å | 1.38Å | Aromatic |
CAL | CAM | sing | 1.38Å | 1.39Å | Aromatic |
SBB | CAF | sing | 1.76Å | 1.61Å | Aromatic |
CAF | CAE | sing | 1.46Å | 1.35Å | |
CLA | CAB | sing | 1.74Å | 1.73Å | |
NAD | CAE | sing | 1.35Å | 1.36Å | |
NAD | CAC | sing | 1.40Å | 1.36Å | |
CAE | OBC | doub | 1.22Å | 1.23Å | |
CAC | CAB | doub | 1.39Å | 1.40Å | Aromatic |
CAC | CBD | sing | 1.39Å | 1.40Å | Aromatic |
CAB | CBH | sing | 1.38Å | 1.39Å | Aromatic |
CBE | CBD | sing | 1.51Å | 1.39Å | |
CBD | CBF | doub | 1.38Å | 1.39Å | Aromatic |
CBH | CBG | doub | 1.38Å | 1.39Å | Aromatic |
CBF | CBG | sing | 1.38Å | 1.39Å | Aromatic |
CAV | H1 | sing | 1.09Å | 1.10Å | |
CAV | H2 | sing | 1.09Å | 1.10Å | |
NAU | H3 | sing | 1.01Å | 1.00Å | |
CAT | H5 | sing | 1.09Å | 1.10Å | |
CAT | H6 | sing | 1.09Å | 1.10Å | |
CAS | H7 | sing | 1.09Å | 1.10Å | |
CAS | H8 | sing | 1.09Å | 1.10Å | |
CAR | H9 | sing | 1.09Å | 1.10Å | |
NAQ | H10 | sing | 0.97Å | 1.00Å | |
CBA | H11 | sing | 1.08Å | 1.08Å | |
CAN | H12 | sing | 1.08Å | 1.08Å | |
CAM | H13 | sing | 1.08Å | 1.08Å | |
CAL | H14 | sing | 1.08Å | 1.08Å | |
NAJ | H15 | sing | 0.97Å | 1.00Å | |
CAG | H16 | sing | 1.08Å | 1.08Å | |
NAD | H17 | sing | 0.97Å | 1.00Å | |
CBH | H18 | sing | 1.08Å | 1.08Å | |
CBG | H19 | sing | 1.08Å | 1.08Å | |
CBF | H20 | sing | 1.08Å | 1.08Å | |
CBE | H21 | sing | 1.09Å | 1.10Å | |
CBE | H22 | sing | 1.09Å | 1.10Å | |
CBE | H23 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAT | CAS | CAR | 110.9° | 109.3° |
CAS | CAT | NAU | 112.1° | 109.6° |
CAS | CAT | H5 | 108.8° | 109.5° |
CAS | CAT | H6 | 108.8° | 109.5° |
CAT | CAS | H7 | 109.1° | 109.5° |
CAT | CAS | H8 | 109.1° | 109.5° |
CAS | CAR | CAW | 112.3° | 109.2° |
CAS | CAR | NAQ | 116.1° | 109.5° |
CAR | CAS | H7 | 109.1° | 109.5° |
CAR | CAS | H8 | 109.1° | 109.5° |
CAS | CAR | H9 | 108.0° | 109.5° |
CAT | NAU | CAV | 114.3° | 111.2° |
CAT | NAU | H3 | 108.3° | 111.0° |
NAU | CAT | H5 | 108.8° | 109.4° |
NAU | CAT | H6 | 108.8° | 109.5° |
NAU | CAV | CAW | 111.5° | 109.5° |
NAU | CAV | H1 | 109.0° | 109.5° |
NAU | CAV | H2 | 109.0° | 109.5° |
CAV | NAU | H3 | 108.2° | 111.0° |
CAW | CAR | NAQ | 102.8° | 109.6° |
CAR | CAW | CAV | 108.4° | 109.3° |
CAR | CAW | FAX | 106.0° | 109.6° |
CAR | CAW | FAY | 114.4° | 109.5° |
CAW | CAR | H9 | 108.3° | 109.4° |
CAR | NAQ | CAP | 129.4° | 120.0° |
NAQ | CAR | H9 | 109.0° | 109.5° |
CAR | NAQ | H10 | 115.3° | 119.9° |
CAV | CAW | FAX | 112.5° | 109.5° |
CAV | CAW | FAY | 111.6° | 109.5° |
CAW | CAV | H1 | 109.0° | 109.4° |
CAW | CAV | H2 | 109.0° | 109.4° |
FAX | CAW | FAY | 103.9° | 109.5° |
NAQ | CAP | OAZ | 127.8° | 120.0° |
NAQ | CAP | CAO | 110.9° | 120.0° |
CAP | NAQ | H10 | 115.3° | 120.0° |
OAZ | CAP | CAO | 121.1° | 120.0° |
CAP | CAO | CBA | 121.8° | 120.1° |
CAP | CAO | CAN | 117.0° | 120.1° |
CAO | CBA | CAK | 120.0° | 119.7° |
CBA | CAO | CAN | 121.1° | 119.8° |
CAO | CBA | H11 | 120.0° | 120.1° |
CBA | CAK | NAJ | 116.9° | 120.0° |
CBA | CAK | CAL | 118.0° | 120.0° |
CAK | CBA | H11 | 120.0° | 120.2° |
CAO | CAN | CAM | 119.7° | 120.1° |
CAO | CAN | H12 | 120.2° | 120.0° |
CAK | NAJ | CAI | 125.3° | 120.0° |
NAJ | CAK | CAL | 125.0° | 120.0° |
CAK | NAJ | H15 | 117.4° | 120.0° |
NAJ | CAI | NAH | 123.5° | 124.7° |
NAJ | CAI | SBB | 129.3° | 124.8° |
CAI | NAJ | H15 | 117.3° | 120.0° |
CAI | NAH | CAG | 113.9° | 117.3° |
NAH | CAI | SBB | 107.2° | 110.5° |
NAH | CAG | CAF | 113.7° | 114.0° |
NAH | CAG | H16 | 123.1° | 123.0° |
CAK | CAL | CAM | 122.1° | 120.2° |
CAK | CAL | H14 | 119.0° | 119.9° |
CAI | SBB | CAF | 97.1° | 90.4° |
CAG | CAF | SBB | 108.1° | 107.8° |
CAG | CAF | CAE | 130.2° | 126.1° |
CAF | CAG | H16 | 123.2° | 123.0° |
CAN | CAM | CAL | 119.2° | 120.2° |
CAM | CAN | H12 | 120.2° | 120.0° |
CAN | CAM | H13 | 120.4° | 119.9° |
CAL | CAM | H13 | 120.4° | 119.9° |
CAM | CAL | H14 | 119.0° | 119.9° |
SBB | CAF | CAE | 121.7° | 126.1° |
CAF | CAE | NAD | 118.8° | 120.0° |
CAF | CAE | OBC | 118.6° | 120.0° |
CLA | CAB | CAC | 122.2° | 120.0° |
CLA | CAB | CBH | 118.2° | 120.0° |
CAE | NAD | CAC | 118.4° | 120.0° |
NAD | CAE | OBC | 122.6° | 120.0° |
CAE | NAD | H17 | 120.8° | 120.0° |
NAD | CAC | CAB | 120.9° | 120.1° |
NAD | CAC | CBD | 118.9° | 120.0° |
CAC | NAD | H17 | 120.8° | 120.0° |
CAB | CAC | CBD | 120.2° | 119.9° |
CAC | CAB | CBH | 119.6° | 119.9° |
CAC | CBD | CBE | 121.4° | 120.1° |
CAC | CBD | CBF | 119.8° | 119.9° |
CAB | CBH | CBG | 120.4° | 120.1° |
CAB | CBH | H18 | 119.8° | 119.9° |
CBE | CBD | CBF | 118.9° | 120.0° |
CBD | CBE | H21 | 109.5° | 109.5° |
CBD | CBE | H22 | 109.4° | 109.4° |
CBD | CBE | H23 | 109.5° | 109.4° |
CBD | CBF | CBG | 120.2° | 120.1° |
CBD | CBF | H20 | 119.9° | 120.0° |
CBH | CBG | CBF | 119.9° | 120.1° |
CBG | CBH | H18 | 119.8° | 120.0° |
CBH | CBG | H19 | 120.1° | 119.9° |
CBF | CBG | H19 | 120.0° | 120.0° |
CBG | CBF | H20 | 119.9° | 119.9° |
H1 | CAV | H2 | 109.4° | 109.5° |
H5 | CAT | H6 | 109.5° | 109.4° |
H7 | CAS | H8 | 109.5° | 109.6° |
H21 | CBE | H22 | 109.5° | 109.5° |
H21 | CBE | H23 | 109.5° | 109.5° |
H22 | CBE | H23 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAT | CAS | CAR | H7 | 120.2° | 119.9° |
CAT | CAS | CAR | H8 | 120.2° | 119.9° |
CAS | CAT | NAU | H5 | 120.4° | 120.1° |
CAS | CAT | NAU | H6 | 120.4° | 120.0° |
CAS | CAT | NAU | CAV | 41.2° | 61.8° |
CAT | CAS | CAR | CAW | 9.5° | 57.6° |
CAT | CAS | CAR | NAQ | 108.5° | 177.6° |
CAS | CAT | NAU | H3 | 161.9° | 62.3° |
CAS | CAT | H5 | H6 | 118.8° | 120.0° |
CAT | CAS | H7 | H8 | 119.4° | 120.1° |
CAT | CAS | CAR | H9 | 128.9° | 62.2° |
CAR | CAS | CAT | NAU | 55.6° | 59.2° |
CAS | CAR | CAW | NAQ | 125.6° | 120.0° |
CAS | CAR | CAW | H9 | 119.2° | 119.9° |
CAS | CAR | NAQ | H9 | 122.2° | 120.2° |
CAS | CAR | CAW | CAV | 48.0° | 57.6° |
CAS | CAR | CAW | FAX | 169.0° | 177.6° |
CAS | CAR | CAW | FAY | 77.2° | 62.4° |
CAS | CAR | NAQ | CAP | 20.1° | 155.0° |
CAR | CAS | CAT | H5 | 64.8° | 60.9° |
CAR | CAS | CAT | H6 | 175.9° | 179.2° |
CAR | CAS | H7 | H8 | 119.4° | 120.1° |
CAS | CAR | NAQ | H10 | 159.9° | 25.0° |
CAT | NAU | CAV | H3 | 120.7° | 124.1° |
CAT | NAU | CAV | CAW | 18.7° | 61.7° |
CAT | NAU | CAV | H1 | 139.0° | 58.3° |
CAT | NAU | CAV | H2 | 101.7° | 178.3° |
NAU | CAT | H5 | H6 | 118.8° | 119.9° |
NAU | CAT | CAS | H7 | 64.6° | 179.1° |
NAU | CAT | CAS | H8 | 175.8° | 60.7° |
NAU | CAV | CAW | CAR | 64.4° | 59.1° |
NAU | CAV | CAW | H1 | 120.3° | 120.0° |
NAU | CAV | CAW | H2 | 120.3° | 120.0° |
NAU | CAV | CAW | FAX | 178.8° | 179.2° |
NAU | CAV | CAW | FAY | 62.5° | 60.8° |
NAU | CAV | H1 | H2 | 119.1° | 120.0° |
CAV | NAU | CAT | H5 | 79.2° | 58.3° |
CAV | NAU | CAT | H6 | 161.6° | 178.2° |
CAW | CAR | NAQ | H9 | 114.8° | 120.1° |
CAR | CAW | CAV | FAX | 116.8° | 120.0° |
CAR | CAW | CAV | FAY | 126.9° | 120.0° |
CAR | CAW | FAX | FAY | 120.9° | 120.1° |
CAW | CAR | NAQ | CAP | 102.9° | 85.3° |
CAR | CAW | CAV | H1 | 175.3° | 60.9° |
CAR | CAW | CAV | H2 | 55.9° | 179.2° |
CAW | CAR | CAS | H7 | 110.7° | 177.5° |
CAW | CAR | CAS | H8 | 129.7° | 62.3° |
CAW | CAR | NAQ | H10 | 77.1° | 94.8° |
NAQ | CAR | CAW | CAV | 173.6° | 177.5° |
NAQ | CAR | CAW | FAX | 65.5° | 62.5° |
NAQ | CAR | CAW | FAY | 48.3° | 57.6° |
CAR | NAQ | CAP | H10 | 180.0° | 180.0° |
CAR | NAQ | CAP | OAZ | 2.5° | 0.0° |
CAR | NAQ | CAP | CAO | 173.3° | 180.0° |
NAQ | CAR | CAS | H7 | 131.3° | 62.5° |
NAQ | CAR | CAS | H8 | 11.7° | 57.6° |
CAV | CAW | FAX | FAY | 120.8° | 120.0° |
CAW | CAV | H1 | H2 | 119.1° | 119.9° |
CAW | CAV | NAU | H3 | 102.1° | 62.4° |
CAV | CAW | CAR | H9 | 71.2° | 62.3° |
FAX | CAW | CAV | H1 | 58.5° | 59.1° |
FAX | CAW | CAV | H2 | 60.9° | 60.8° |
FAX | CAW | CAR | H9 | 49.8° | 57.7° |
FAY | CAW | CAV | H1 | 57.8° | 179.1° |
FAY | CAW | CAV | H2 | 177.2° | 59.2° |
FAY | CAW | CAR | H9 | 163.6° | 177.8° |
NAQ | CAP | OAZ | CAO | 175.4° | 180.0° |
NAQ | CAP | CAO | CBA | 65.8° | 179.8° |
NAQ | CAP | CAO | CAN | 111.1° | 0.0° |
CAP | NAQ | CAR | H9 | 142.3° | 34.8° |
OAZ | CAP | CAO | CBA | 118.0° | 0.2° |
OAZ | CAP | CAO | CAN | 65.0° | 180.0° |
OAZ | CAP | NAQ | H10 | 177.5° | 180.0° |
CAP | CAO | CBA | CAN | 176.9° | 179.7° |
CAP | CAO | CBA | CAK | 179.2° | 180.0° |
CAP | CAO | CAN | CAM | 178.4° | 180.0° |
CAO | CAP | NAQ | H10 | 6.7° | 0.0° |
CAP | CAO | CBA | H11 | 0.8° | 0.0° |
CAP | CAO | CAN | H12 | 1.6° | 0.0° |
CAO | CBA | CAK | H11 | 180.0° | 180.0° |
CAO | CBA | CAK | NAJ | 179.7° | 179.9° |
CAO | CBA | CAK | CAL | 2.4° | 0.0° |
CBA | CAO | CAN | CAM | 1.4° | 0.3° |
CBA | CAO | CAN | H12 | 178.6° | 179.7° |
CAK | CBA | CAO | CAN | 2.3° | 0.3° |
CBA | CAK | NAJ | CAL | 177.7° | 179.9° |
CBA | CAK | NAJ | CAI | 152.0° | 26.3° |
CBA | CAK | CAL | CAM | 1.7° | 0.2° |
CBA | CAK | CAL | H14 | 178.3° | 179.9° |
CBA | CAK | NAJ | H15 | 27.9° | 153.6° |
CAO | CAN | CAM | H12 | 180.0° | 180.0° |
CAO | CAN | CAM | CAL | 0.6° | 0.0° |
CAN | CAO | CBA | H11 | 177.7° | 179.7° |
CAO | CAN | CAM | H13 | 179.4° | 180.0° |
CAK | NAJ | CAI | H15 | 180.0° | 179.9° |
CAK | NAJ | CAI | NAH | 179.8° | 6.5° |
CAK | NAJ | CAI | SBB | 0.3° | 173.3° |
NAJ | CAK | CAL | CAM | 179.4° | 179.6° |
NAJ | CAK | CBA | H11 | 0.3° | 0.1° |
NAJ | CAK | CAL | H14 | 0.6° | 0.0° |
NAJ | CAI | NAH | SBB | 180.0° | 179.8° |
NAJ | CAI | NAH | CAG | 179.8° | 180.0° |
CAI | NAJ | CAK | CAL | 30.3° | 153.6° |
NAJ | CAI | SBB | CAF | 179.6° | 180.0° |
CAI | NAH | CAG | CAF | 0.2° | 0.0° |
NAH | CAI | SBB | CAF | 0.3° | 0.2° |
NAH | CAI | NAJ | H15 | 0.3° | 173.6° |
CAI | NAH | CAG | H16 | 179.8° | 180.0° |
CAG | NAH | CAI | SBB | 0.1° | 0.2° |
NAH | CAG | CAF | H16 | 180.0° | 179.9° |
NAH | CAG | CAF | SBB | 0.4° | 0.1° |
NAH | CAG | CAF | CAE | 179.8° | 179.9° |
CAK | CAL | CAM | CAN | 0.8° | 0.3° |
CAK | CAL | CAM | H14 | 180.0° | 179.6° |
CAL | CAK | CBA | H11 | 177.6° | 180.0° |
CAK | CAL | CAM | H13 | 179.2° | 179.8° |
CAL | CAK | NAJ | H15 | 149.7° | 26.5° |
CAI | SBB | CAF | CAG | 0.4° | 0.2° |
CAI | SBB | CAF | CAE | 179.9° | 179.9° |
SBB | CAI | NAJ | H15 | 179.7° | 6.6° |
CAG | CAF | SBB | CAE | 179.5° | 179.8° |
CAG | CAF | CAE | NAD | 8.1° | 179.8° |
CAG | CAF | CAE | OBC | 171.6° | 0.3° |
CAN | CAM | CAL | H13 | 180.0° | 180.0° |
CAN | CAM | CAL | H14 | 179.2° | 179.9° |
CAL | CAM | CAN | H12 | 179.4° | 180.0° |
SBB | CAF | CAE | NAD | 172.5° | 0.0° |
SBB | CAF | CAE | OBC | 7.8° | 180.0° |
SBB | CAF | CAG | H16 | 179.6° | 179.8° |
CAF | CAE | NAD | OBC | 179.7° | 180.0° |
CAF | CAE | NAD | CAC | 178.0° | 174.4° |
CAE | CAF | CAG | H16 | 0.2° | 0.0° |
CAF | CAE | NAD | H17 | 2.0° | 5.6° |
CLA | CAB | CAC | NAD | 0.3° | 0.0° |
CLA | CAB | CAC | CBH | 179.8° | 180.0° |
CLA | CAB | CAC | CBD | 179.4° | 179.7° |
CLA | CAB | CBH | CBG | 179.9° | 180.0° |
CLA | CAB | CBH | H18 | 0.0° | 0.0° |
CAE | NAD | CAC | H17 | 180.0° | 180.0° |
CAE | NAD | CAC | CAB | 92.7° | 52.0° |
CAE | NAD | CAC | CBD | 88.2° | 127.7° |
CAC | NAD | CAE | OBC | 1.7° | 5.5° |
NAD | CAC | CAB | CBD | 179.0° | 179.8° |
NAD | CAC | CAB | CBH | 179.5° | 180.0° |
NAD | CAC | CBD | CBE | 0.4° | 0.0° |
NAD | CAC | CBD | CBF | 179.8° | 179.7° |
OBC | CAE | NAD | H17 | 178.3° | 174.4° |
CAB | CAC | CBD | CBE | 179.4° | 179.7° |
CAB | CAC | CBD | CBF | 0.7° | 0.6° |
CAC | CAB | CBH | CBG | 0.1° | 0.0° |
CAB | CAC | NAD | H17 | 87.3° | 127.9° |
CAC | CAB | CBH | H18 | 179.9° | 180.0° |
CBD | CAC | CAB | CBH | 0.5° | 0.3° |
CAC | CBD | CBE | CBF | 179.8° | 179.7° |
CAC | CBD | CBF | CBG | 0.4° | 0.6° |
CBD | CAC | NAD | H17 | 91.7° | 52.3° |
CAC | CBD | CBF | H20 | 179.6° | 179.7° |
CAC | CBD | CBE | H21 | 90.1° | 90.1° |
CAC | CBD | CBE | H22 | 149.9° | 150.0° |
CAC | CBD | CBE | H23 | 29.9° | 30.0° |
CAB | CBH | CBG | H18 | 180.0° | 180.0° |
CAB | CBH | CBG | CBF | 0.4° | 0.1° |
CAB | CBH | CBG | H19 | 179.6° | 180.0° |
CBE | CBD | CBF | CBG | 179.7° | 179.7° |
CBE | CBD | CBF | H20 | 0.3° | 0.0° |
CBD | CBE | H21 | H22 | 120.0° | 120.0° |
CBD | CBE | H21 | H23 | 120.0° | 120.0° |
CBD | CBE | H22 | H23 | 120.0° | 120.0° |
CBD | CBF | CBG | CBH | 0.1° | 0.4° |
CBD | CBF | CBG | H20 | 180.0° | 179.7° |
CBD | CBF | CBG | H19 | 179.9° | 179.7° |
CBF | CBD | CBE | H21 | 90.1° | 89.6° |
CBF | CBD | CBE | H22 | 30.0° | 30.3° |
CBF | CBD | CBE | H23 | 149.9° | 150.3° |
CBH | CBG | CBF | H19 | 180.0° | 179.9° |
CBH | CBG | CBF | H20 | 179.9° | 180.0° |
CBF | CBG | CBH | H18 | 179.6° | 179.9° |
H1 | CAV | NAU | H3 | 18.2° | 177.6° |
H2 | CAV | NAU | H3 | 137.6° | 57.6° |
H3 | NAU | CAT | H5 | 41.5° | 177.6° |
H3 | NAU | CAT | H6 | 77.7° | 57.7° |
H5 | CAT | CAS | H7 | 175.0° | 59.1° |
H5 | CAT | CAS | H8 | 55.4° | 179.2° |
H6 | CAT | CAS | H7 | 55.7° | 60.9° |
H6 | CAT | CAS | H8 | 63.8° | 59.3° |
H7 | CAS | CAR | H9 | 8.6° | 57.7° |
H8 | CAS | CAR | H9 | 110.9° | 177.8° |
H9 | CAR | NAQ | H10 | 37.7° | 145.1° |
H12 | CAN | CAM | H13 | 0.7° | 0.0° |
H13 | CAM | CAL | H14 | 0.9° | 0.2° |
H18 | CBH | CBG | H19 | 0.4° | 0.0° |
H19 | CBG | CBF | H20 | 0.1° | 0.0° |
H21 | CBE | H22 | H23 | 120.0° | 120.1° |