R7D
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAR | CAS | doub | 1.39Å | 1.39Å | Aromatic |
CAR | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
CAS | CAN | sing | 1.38Å | 1.39Å | Aromatic |
CAQ | CAP | doub | 1.38Å | 1.39Å | Aromatic |
CAN | CAM | sing | 1.51Å | 1.39Å | |
CAN | NAO | doub | 1.32Å | 1.34Å | Aromatic |
CAM | NAL | sing | 1.46Å | 1.47Å | |
CAP | NAO | sing | 1.32Å | 1.40Å | Aromatic |
NAL | CX | sing | 1.35Å | 1.34Å | |
OX | CX | doub | 1.21Å | 1.23Å | |
CX | CXA | sing | 1.51Å | 1.53Å | |
OAZ | CAA | sing | 1.43Å | 1.43Å | |
CXA | NX | sing | 1.46Å | 1.47Å | |
CXA | CE | sing | 1.53Å | 1.53Å | |
OAD | CAB | doub | 1.21Å | 1.23Å | |
NX | CAB | sing | 1.35Å | 1.33Å | |
CAB | CAA | sing | 1.51Å | 1.53Å | |
CAA | CAY | sing | 1.51Å | 1.40Å | |
CE | SD | sing | 1.81Å | 1.84Å | |
CBA | CAY | doub | 1.38Å | 1.39Å | Aromatic |
CBA | CBB | sing | 1.38Å | 1.39Å | Aromatic |
CAY | CBE | sing | 1.38Å | 1.39Å | Aromatic |
CBB | CBC | doub | 1.38Å | 1.39Å | Aromatic |
CBE | CBD | doub | 1.38Å | 1.39Å | Aromatic |
CBC | CBD | sing | 1.38Å | 1.39Å | Aromatic |
CBC | CBF | sing | 1.51Å | 1.40Å | |
FBI | CBF | sing | 1.40Å | 1.33Å | |
CBF | FBG | sing | 1.40Å | 1.35Å | |
CBF | FBH | sing | 1.40Å | 1.35Å | |
SD | H1 | sing | 1.35Å | 1.30Å | |
CE | H2 | sing | 1.09Å | 1.10Å | |
CE | H3 | sing | 1.09Å | 1.10Å | |
CAA | H4 | sing | 1.09Å | 1.10Å | |
CAM | H5 | sing | 1.09Å | 1.10Å | |
CAM | H6 | sing | 1.09Å | 1.10Å | |
CAP | H7 | sing | 1.08Å | 1.08Å | |
CAQ | H8 | sing | 1.08Å | 1.08Å | |
CAR | H9 | sing | 1.08Å | 1.08Å | |
CAS | H10 | sing | 1.08Å | 1.08Å | |
CBA | H11 | sing | 1.08Å | 1.08Å | |
CBB | H12 | sing | 1.08Å | 1.08Å | |
CBD | H13 | sing | 1.08Å | 1.08Å | |
CBE | H14 | sing | 1.08Å | 1.08Å | |
CXA | H15 | sing | 1.09Å | 1.10Å | |
NAL | H16 | sing | 0.97Å | 1.00Å | |
NX | H17 | sing | 0.97Å | 1.00Å | |
OAZ | H18 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAS | CAR | CAQ | 119.5° | 118.5° |
CAR | CAS | CAN | 120.2° | 119.2° |
CAS | CAR | H9 | 120.2° | 120.8° |
CAR | CAS | H10 | 119.9° | 120.4° |
CAR | CAQ | CAP | 119.4° | 119.1° |
CAR | CAQ | H8 | 120.3° | 120.5° |
CAQ | CAR | H9 | 120.2° | 120.7° |
CAS | CAN | CAM | 119.1° | 119.6° |
CAS | CAN | NAO | 120.4° | 120.8° |
CAN | CAS | H10 | 119.9° | 120.4° |
CAQ | CAP | NAO | 120.0° | 120.7° |
CAQ | CAP | H7 | 120.0° | 119.6° |
CAP | CAQ | H8 | 120.3° | 120.4° |
CAM | CAN | NAO | 120.5° | 119.6° |
CAN | CAM | NAL | 111.7° | 109.5° |
CAN | CAM | H5 | 108.9° | 109.5° |
CAN | CAM | H6 | 108.9° | 109.5° |
CAN | NAO | CAP | 120.6° | 121.8° |
CAM | NAL | CX | 118.9° | 120.0° |
NAL | CAM | H5 | 108.9° | 109.5° |
NAL | CAM | H6 | 108.9° | 109.5° |
CAM | NAL | H16 | 120.6° | 120.0° |
NAO | CAP | H7 | 120.0° | 119.7° |
NAL | CX | OX | 122.7° | 120.0° |
NAL | CX | CXA | 117.2° | 120.0° |
CX | NAL | H16 | 120.6° | 120.0° |
OX | CX | CXA | 120.0° | 120.0° |
CX | CXA | NX | 111.6° | 109.5° |
CX | CXA | CE | 110.4° | 109.4° |
CX | CXA | H15 | 108.7° | 109.5° |
OAZ | CAA | CAB | 108.6° | 109.5° |
OAZ | CAA | CAY | 111.0° | 109.5° |
OAZ | CAA | H4 | 109.3° | 109.4° |
CAA | OAZ | H18 | 109.5° | 113.9° |
NX | CXA | CE | 107.8° | 109.5° |
CXA | NX | CAB | 121.7° | 120.0° |
NX | CXA | H15 | 109.6° | 109.5° |
CXA | NX | H17 | 119.2° | 120.0° |
CXA | CE | SD | 111.0° | 109.5° |
CXA | CE | H2 | 109.1° | 109.5° |
CXA | CE | H3 | 109.1° | 109.4° |
CE | CXA | H15 | 108.7° | 109.4° |
OAD | CAB | NX | 124.0° | 120.0° |
OAD | CAB | CAA | 121.8° | 120.0° |
NX | CAB | CAA | 114.2° | 120.0° |
CAB | NX | H17 | 119.2° | 120.0° |
CAB | CAA | CAY | 110.4° | 109.5° |
CAB | CAA | H4 | 107.9° | 109.4° |
CAA | CAY | CBA | 121.3° | 120.0° |
CAA | CAY | CBE | 119.9° | 120.0° |
CAY | CAA | H4 | 109.6° | 109.5° |
CE | SD | H1 | 102.0° | 103.0° |
SD | CE | H2 | 109.1° | 109.5° |
SD | CE | H3 | 109.1° | 109.5° |
CAY | CBA | CBB | 120.4° | 120.0° |
CBA | CAY | CBE | 118.7° | 120.0° |
CAY | CBA | H11 | 119.8° | 120.0° |
CBA | CBB | CBC | 120.9° | 120.0° |
CBB | CBA | H11 | 119.8° | 120.0° |
CBA | CBB | H12 | 119.5° | 120.0° |
CAY | CBE | CBD | 120.9° | 120.0° |
CAY | CBE | H14 | 119.5° | 120.0° |
CBB | CBC | CBD | 118.4° | 120.0° |
CBB | CBC | CBF | 121.7° | 120.0° |
CBC | CBB | H12 | 119.6° | 120.0° |
CBE | CBD | CBC | 120.6° | 120.0° |
CBE | CBD | H13 | 119.7° | 120.0° |
CBD | CBE | H14 | 119.6° | 120.0° |
CBD | CBC | CBF | 119.9° | 120.0° |
CBC | CBD | H13 | 119.7° | 120.0° |
CBC | CBF | FBI | 110.3° | 109.5° |
CBC | CBF | FBG | 110.9° | 109.5° |
CBC | CBF | FBH | 109.9° | 109.4° |
FBI | CBF | FBG | 108.3° | 109.5° |
FBI | CBF | FBH | 109.4° | 109.5° |
FBG | CBF | FBH | 108.1° | 109.5° |
H2 | CE | H3 | 109.5° | 109.5° |
H5 | CAM | H6 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAS | CAR | CAQ | H9 | 180.0° | 179.9° |
CAR | CAS | CAN | H10 | 180.0° | 180.0° |
CAS | CAR | CAQ | CAP | 0.3° | 0.2° |
CAR | CAS | CAN | CAM | 179.7° | 180.0° |
CAR | CAS | CAN | NAO | 0.3° | 0.2° |
CAS | CAR | CAQ | H8 | 179.7° | 180.0° |
CAQ | CAR | CAS | CAN | 0.0° | 0.0° |
CAR | CAQ | CAP | H8 | 180.0° | 179.7° |
CAR | CAQ | CAP | NAO | 0.3° | 0.2° |
CAR | CAQ | CAP | H7 | 179.8° | 179.7° |
CAQ | CAR | CAS | H10 | 180.0° | 180.0° |
CAS | CAN | CAM | NAO | 179.4° | 179.7° |
CAS | CAN | CAM | NAL | 159.9° | 95.3° |
CAS | CAN | NAO | CAP | 0.3° | 0.2° |
CAS | CAN | CAM | H5 | 79.8° | 144.7° |
CAS | CAN | CAM | H6 | 39.5° | 24.7° |
CAN | CAS | CAR | H9 | 180.0° | 179.9° |
CAQ | CAP | NAO | CAN | 0.0° | 0.0° |
CAQ | CAP | NAO | H7 | 180.0° | 180.0° |
CAP | CAQ | CAR | H9 | 179.7° | 179.7° |
CAN | CAM | NAL | H5 | 120.3° | 120.0° |
CAN | CAM | NAL | H6 | 120.3° | 120.0° |
CAM | CAN | NAO | CAP | 179.7° | 180.0° |
CAN | CAM | NAL | CX | 103.5° | 180.0° |
CAN | CAM | H5 | H6 | 119.0° | 120.0° |
CAM | CAN | CAS | H10 | 0.3° | 0.0° |
CAN | CAM | NAL | H16 | 76.4° | 0.0° |
NAO | CAN | CAM | NAL | 20.7° | 85.0° |
NAO | CAN | CAM | H5 | 99.6° | 35.0° |
NAO | CAN | CAM | H6 | 141.1° | 155.0° |
CAN | NAO | CAP | H7 | 179.9° | 180.0° |
NAO | CAN | CAS | H10 | 179.7° | 179.8° |
CAM | NAL | CX | H16 | 180.0° | 179.9° |
CAM | NAL | CX | OX | 0.0° | 0.1° |
CAM | NAL | CX | CXA | 179.6° | 180.0° |
NAL | CAM | H5 | H6 | 119.0° | 120.0° |
NAO | CAP | CAQ | H8 | 179.7° | 180.0° |
NAL | CX | OX | CXA | 179.6° | 179.9° |
NAL | CX | CXA | NX | 5.0° | 180.0° |
NAL | CX | CXA | CE | 124.9° | 60.0° |
CX | NAL | CAM | H5 | 16.8° | 60.0° |
CX | NAL | CAM | H6 | 136.1° | 59.9° |
NAL | CX | CXA | H15 | 116.0° | 59.9° |
OX | CX | CXA | NX | 175.4° | 0.1° |
OX | CX | CXA | CE | 55.5° | 120.0° |
OX | CX | CXA | H15 | 63.7° | 120.0° |
OX | CX | NAL | H16 | 180.0° | 180.0° |
CX | CXA | NX | CE | 121.4° | 120.0° |
CX | CXA | NX | H15 | 120.5° | 120.0° |
CX | CXA | CE | H15 | 119.2° | 119.9° |
CX | CXA | NX | CAB | 110.5° | 155.0° |
CX | CXA | CE | SD | 176.2° | 180.0° |
CX | CXA | CE | H2 | 63.6° | 60.0° |
CX | CXA | CE | H3 | 56.0° | 60.0° |
CXA | CX | NAL | H16 | 0.4° | 0.1° |
CX | CXA | NX | H17 | 69.5° | 24.9° |
OAZ | CAA | CAB | OAD | 66.3° | 5.1° |
OAZ | CAA | CAB | NX | 113.3° | 175.0° |
OAZ | CAA | CAB | CAY | 121.9° | 120.1° |
OAZ | CAA | CAB | H4 | 118.4° | 119.9° |
OAZ | CAA | CAY | H4 | 120.8° | 120.0° |
OAZ | CAA | CAY | CBA | 19.8° | 34.8° |
OAZ | CAA | CAY | CBE | 160.1° | 145.0° |
NX | CXA | CE | H15 | 118.7° | 120.1° |
CXA | NX | CAB | OAD | 1.8° | 0.1° |
CXA | NX | CAB | H17 | 180.0° | 179.9° |
CXA | NX | CAB | CAA | 178.6° | 180.0° |
NX | CXA | CE | SD | 61.7° | 60.0° |
NX | CXA | CE | H2 | 58.6° | 180.0° |
NX | CXA | CE | H3 | 178.1° | 60.0° |
CE | CXA | NX | CAB | 128.1° | 85.1° |
CXA | CE | SD | H2 | 120.2° | 120.0° |
CXA | CE | SD | H3 | 120.2° | 120.0° |
CXA | CE | SD | H1 | 180.0° | 180.0° |
CXA | CE | H2 | H3 | 119.3° | 120.0° |
CE | CXA | NX | H17 | 51.9° | 95.0° |
OAD | CAB | NX | CAA | 179.6° | 179.9° |
OAD | CAB | CAA | CAY | 55.6° | 114.9° |
OAD | CAB | CAA | H4 | 175.4° | 125.0° |
OAD | CAB | NX | H17 | 178.2° | 180.0° |
NX | CAB | CAA | CAY | 124.8° | 64.9° |
NX | CAB | CAA | H4 | 5.0° | 55.1° |
CAB | NX | CXA | H15 | 10.0° | 34.9° |
CAB | CAA | CAY | H4 | 118.7° | 120.0° |
CAB | CAA | CAY | CBA | 100.6° | 85.3° |
CAB | CAA | CAY | CBE | 79.4° | 95.0° |
CAA | CAB | NX | H17 | 1.4° | 0.1° |
CAB | CAA | OAZ | H18 | 23.6° | 60.1° |
CAA | CAY | CBA | CBE | 180.0° | 179.7° |
CAA | CAY | CBA | CBB | 179.9° | 180.0° |
CAA | CAY | CBE | CBD | 179.8° | 179.8° |
CAA | CAY | CBA | H11 | 0.1° | 0.0° |
CAA | CAY | CBE | H14 | 0.1° | 0.0° |
CAY | CAA | OAZ | H18 | 97.9° | 60.0° |
SD | CE | H2 | H3 | 119.3° | 120.1° |
SD | CE | CXA | H15 | 57.0° | 60.0° |
CAY | CBA | CBB | H11 | 180.0° | 180.0° |
CAY | CBA | CBB | CBC | 0.1° | 0.1° |
CBA | CAY | CBE | CBD | 0.1° | 0.5° |
CBA | CAY | CAA | H4 | 140.7° | 154.7° |
CAY | CBA | CBB | H12 | 179.9° | 180.0° |
CBA | CAY | CBE | H14 | 179.9° | 179.7° |
CBB | CBA | CAY | CBE | 0.1° | 0.3° |
CBA | CBB | CBC | H12 | 180.0° | 179.9° |
CBA | CBB | CBC | CBD | 0.1° | 0.0° |
CBA | CBB | CBC | CBF | 179.9° | 180.0° |
CAY | CBE | CBD | H14 | 180.0° | 179.8° |
CAY | CBE | CBD | CBC | 0.2° | 0.5° |
CBE | CAY | CAA | H4 | 39.3° | 25.0° |
CBE | CAY | CBA | H11 | 179.9° | 179.7° |
CAY | CBE | CBD | H13 | 179.8° | 179.7° |
CBB | CBC | CBD | CBE | 0.1° | 0.2° |
CBB | CBC | CBD | CBF | 180.0° | 179.9° |
CBB | CBC | CBF | FBI | 47.0° | 30.0° |
CBB | CBC | CBF | FBG | 72.9° | 90.0° |
CBB | CBC | CBF | FBH | 167.7° | 150.0° |
CBC | CBB | CBA | H11 | 179.9° | 179.9° |
CBB | CBC | CBD | H13 | 179.9° | 179.9° |
CBE | CBD | CBC | H13 | 180.0° | 179.8° |
CBE | CBD | CBC | CBF | 179.9° | 179.8° |
CBD | CBC | CBF | FBI | 133.0° | 149.9° |
CBD | CBC | CBF | FBG | 107.1° | 90.0° |
CBD | CBC | CBF | FBH | 12.3° | 30.0° |
CBD | CBC | CBB | H12 | 179.9° | 180.0° |
CBC | CBD | CBE | H14 | 179.9° | 179.8° |
CBC | CBF | FBI | FBG | 121.5° | 120.0° |
CBC | CBF | FBI | FBH | 121.0° | 120.0° |
CBC | CBF | FBG | FBH | 120.5° | 120.0° |
CBF | CBC | CBB | H12 | 0.1° | 0.1° |
CBF | CBC | CBD | H13 | 0.1° | 0.0° |
FBI | CBF | FBG | FBH | 118.4° | 120.0° |
H1 | SD | CE | H2 | 59.8° | 60.0° |
H1 | SD | CE | H3 | 59.8° | 60.0° |
H2 | CE | CXA | H15 | 177.3° | 60.0° |
H3 | CE | CXA | H15 | 63.2° | 179.9° |
H4 | CAA | OAZ | H18 | 141.0° | 180.0° |
H5 | CAM | NAL | H16 | 163.2° | 120.1° |
H6 | CAM | NAL | H16 | 43.9° | 120.0° |
H7 | CAP | CAQ | H8 | 0.2° | 0.0° |
H8 | CAQ | CAR | H9 | 0.3° | 0.0° |
H9 | CAR | CAS | H10 | 0.0° | 0.1° |
H11 | CBA | CBB | H12 | 0.1° | 0.0° |
H13 | CBD | CBE | H14 | 0.1° | 0.1° |
H15 | CXA | NX | H17 | 170.0° | 145.0° |