W7L
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAA | OAP | sing | 1.43Å | 1.44Å | |
CAI | CAF | doub | 1.36Å | 1.40Å | Aromatic |
CAI | CAX | sing | 1.41Å | 1.37Å | Aromatic |
CAF | CAG | sing | 1.39Å | 1.41Å | Aromatic |
CAK | CAX | doub | 1.40Å | 1.40Å | Aromatic |
CAK | CAR | sing | 1.37Å | 1.39Å | Aromatic |
CAX | CAY | sing | 1.42Å | 1.42Å | Aromatic |
OAP | CAR | sing | 1.36Å | 1.40Å | |
CAG | CAS | doub | 1.36Å | 1.38Å | Aromatic |
CAR | CAH | doub | 1.40Å | 1.40Å | Aromatic |
CAY | CAS | sing | 1.41Å | 1.42Å | Aromatic |
CAY | CAJ | doub | 1.41Å | 1.37Å | Aromatic |
CAS | CAL | sing | 1.51Å | 1.51Å | |
CAH | CAJ | sing | 1.36Å | 1.46Å | Aromatic |
CAL | CAM | sing | 1.53Å | 1.53Å | |
CAM | CAU | sing | 1.51Å | 1.47Å | |
OAD | CAW | doub | 1.22Å | 1.23Å | |
CAU | CAW | sing | 1.47Å | 1.40Å | |
CAU | CAT | doub | 1.36Å | 1.36Å | |
CAW | NAO | sing | 1.35Å | 1.43Å | |
CAT | CAQ | sing | 1.48Å | 1.44Å | |
CAT | NAN | sing | 1.38Å | 1.45Å | |
CAQ | OAB | doub | 1.21Å | 1.25Å | |
CAQ | OAE | sing | 1.35Å | 1.24Å | |
NAO | CAV | sing | 1.35Å | 1.37Å | |
NAN | CAV | sing | 1.34Å | 1.38Å | |
CAV | OAC | doub | 1.22Å | 1.25Å | |
OAE | H1 | sing | 0.97Å | 0.95Å | |
NAO | H2 | sing | 0.97Å | 1.00Å | |
CAM | H4 | sing | 1.09Å | 1.10Å | |
CAM | H5 | sing | 1.09Å | 1.10Å | |
CAL | H6 | sing | 1.09Å | 1.10Å | |
CAL | H7 | sing | 1.09Å | 1.10Å | |
CAG | H8 | sing | 1.08Å | 1.08Å | |
CAF | H9 | sing | 1.08Å | 1.08Å | |
CAI | H10 | sing | 1.08Å | 1.08Å | |
CAK | H11 | sing | 1.08Å | 1.08Å | |
CAJ | H12 | sing | 1.08Å | 1.08Å | |
CAH | H13 | sing | 1.08Å | 1.08Å | |
CAA | H14 | sing | 1.09Å | 1.10Å | |
CAA | H15 | sing | 1.09Å | 1.10Å | |
CAA | H16 | sing | 1.09Å | 1.10Å | |
NAN | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CAA | OAP | CAR | 118.4° | 117.0° |
OAP | CAA | H14 | 109.5° | 109.5° |
OAP | CAA | H15 | 109.5° | 109.5° |
OAP | CAA | H16 | 109.5° | 109.5° |
CAF | CAI | CAX | 122.8° | 119.6° |
CAI | CAF | CAG | 115.3° | 121.0° |
CAI | CAF | H9 | 122.4° | 119.5° |
CAF | CAI | H10 | 118.6° | 120.2° |
CAI | CAX | CAK | 118.0° | 121.2° |
CAI | CAX | CAY | 121.0° | 119.4° |
CAX | CAI | H10 | 118.6° | 120.2° |
CAF | CAG | CAS | 124.8° | 121.0° |
CAF | CAG | H8 | 117.6° | 119.4° |
CAG | CAF | H9 | 122.4° | 119.6° |
CAX | CAK | CAR | 121.7° | 119.6° |
CAK | CAX | CAY | 120.9° | 119.5° |
CAX | CAK | H11 | 119.2° | 120.2° |
CAK | CAR | OAP | 122.6° | 119.6° |
CAK | CAR | CAH | 118.4° | 120.9° |
CAR | CAK | H11 | 119.1° | 120.2° |
CAX | CAY | CAS | 117.8° | 119.4° |
CAX | CAY | CAJ | 118.1° | 119.4° |
OAP | CAR | CAH | 119.0° | 119.5° |
CAG | CAS | CAY | 118.2° | 119.7° |
CAG | CAS | CAL | 114.5° | 120.2° |
CAS | CAG | H8 | 117.6° | 119.5° |
CAR | CAH | CAJ | 120.2° | 120.9° |
CAR | CAH | H13 | 119.9° | 119.5° |
CAS | CAY | CAJ | 123.9° | 121.2° |
CAY | CAS | CAL | 127.3° | 120.2° |
CAY | CAJ | CAH | 120.6° | 119.7° |
CAY | CAJ | H12 | 119.7° | 120.2° |
CAS | CAL | CAM | 106.3° | 109.4° |
CAS | CAL | H6 | 110.3° | 109.5° |
CAS | CAL | H7 | 110.2° | 109.5° |
CAH | CAJ | H12 | 119.7° | 120.1° |
CAJ | CAH | H13 | 119.9° | 119.5° |
CAL | CAM | CAU | 104.4° | 109.5° |
CAL | CAM | H4 | 110.7° | 109.5° |
CAL | CAM | H5 | 110.7° | 109.5° |
CAM | CAL | H6 | 110.2° | 109.5° |
CAM | CAL | H7 | 110.3° | 109.5° |
CAM | CAU | CAW | 122.9° | 120.8° |
CAM | CAU | CAT | 121.2° | 120.8° |
CAU | CAM | H4 | 110.8° | 109.5° |
CAU | CAM | H5 | 110.7° | 109.5° |
OAD | CAW | CAU | 126.5° | 120.6° |
OAD | CAW | NAO | 112.5° | 120.5° |
CAW | CAU | CAT | 115.9° | 118.4° |
CAU | CAW | NAO | 120.9° | 118.8° |
CAU | CAT | CAQ | 124.1° | 120.3° |
CAU | CAT | NAN | 122.2° | 119.4° |
CAW | NAO | CAV | 123.8° | 120.4° |
CAW | NAO | H2 | 118.1° | 119.8° |
CAQ | CAT | NAN | 113.7° | 120.3° |
CAT | CAQ | OAB | 118.1° | 120.0° |
CAT | CAQ | OAE | 117.5° | 120.0° |
CAT | NAN | CAV | 122.0° | 121.2° |
CAT | NAN | H17 | 119.0° | 119.4° |
OAB | CAQ | OAE | 123.7° | 120.0° |
CAQ | OAE | H1 | 109.5° | 117.0° |
NAO | CAV | NAN | 114.9° | 121.8° |
NAO | CAV | OAC | 123.7° | 119.1° |
CAV | NAO | H2 | 118.1° | 119.8° |
NAN | CAV | OAC | 121.1° | 119.1° |
CAV | NAN | H17 | 119.0° | 119.4° |
H4 | CAM | H5 | 109.5° | 109.5° |
H6 | CAL | H7 | 109.5° | 109.5° |
H14 | CAA | H15 | 109.5° | 109.4° |
H14 | CAA | H16 | 109.5° | 109.4° |
H15 | CAA | H16 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CAA | OAP | CAR | CAK | 27.2° | 180.0° |
CAA | OAP | CAR | CAH | 154.4° | 0.1° |
OAP | CAA | H14 | H15 | 120.0° | 120.1° |
OAP | CAA | H14 | H16 | 120.0° | 120.0° |
OAP | CAA | H15 | H16 | 120.0° | 120.1° |
CAF | CAI | CAX | H10 | 180.0° | 180.0° |
CAI | CAF | CAG | H9 | 180.0° | 180.0° |
CAF | CAI | CAX | CAK | 179.3° | 180.0° |
CAF | CAI | CAX | CAY | 4.0° | 0.2° |
CAI | CAF | CAG | CAS | 0.0° | 0.0° |
CAI | CAF | CAG | H8 | 179.9° | 180.0° |
CAX | CAI | CAF | CAG | 2.0° | 0.0° |
CAI | CAX | CAK | CAY | 175.2° | 179.8° |
CAI | CAX | CAK | CAR | 179.5° | 180.0° |
CAI | CAX | CAY | CAS | 3.9° | 0.5° |
CAI | CAX | CAY | CAJ | 179.2° | 180.0° |
CAX | CAI | CAF | H9 | 178.0° | 180.0° |
CAI | CAX | CAK | H11 | 0.5° | 0.1° |
CAF | CAG | CAS | H8 | 180.0° | 179.9° |
CAF | CAG | CAS | CAY | 0.1° | 0.2° |
CAF | CAG | CAS | CAL | 178.8° | 180.0° |
CAG | CAF | CAI | H10 | 178.0° | 180.0° |
CAX | CAK | CAR | H11 | 180.0° | 179.9° |
CAX | CAK | CAR | OAP | 178.6° | 179.9° |
CAX | CAK | CAR | CAH | 3.0° | 0.0° |
CAK | CAX | CAY | CAS | 178.9° | 179.8° |
CAK | CAX | CAY | CAJ | 5.7° | 0.2° |
CAK | CAX | CAI | H10 | 0.7° | 0.0° |
CAR | CAK | CAX | CAY | 5.3° | 0.2° |
CAK | CAR | OAP | CAH | 178.4° | 180.0° |
CAK | CAR | CAH | CAJ | 1.4° | 0.2° |
CAK | CAR | CAH | H13 | 178.6° | 180.0° |
CAX | CAY | CAS | CAG | 1.9° | 0.5° |
CAX | CAY | CAS | CAJ | 175.0° | 179.5° |
CAX | CAY | CAS | CAL | 179.5° | 179.7° |
CAX | CAY | CAJ | CAH | 4.2° | 0.0° |
CAY | CAX | CAI | H10 | 176.0° | 179.8° |
CAY | CAX | CAK | H11 | 174.7° | 179.8° |
CAX | CAY | CAJ | H12 | 175.8° | 180.0° |
OAP | CAR | CAH | CAJ | 179.9° | 179.8° |
OAP | CAR | CAK | H11 | 1.4° | 0.0° |
OAP | CAR | CAH | H13 | 0.1° | 0.1° |
CAR | OAP | CAA | H14 | 180.0° | 60.0° |
CAR | OAP | CAA | H15 | 60.0° | 180.0° |
CAR | OAP | CAA | H16 | 60.0° | 59.9° |
CAG | CAS | CAY | CAL | 178.6° | 179.8° |
CAG | CAS | CAY | CAJ | 176.9° | 180.0° |
CAG | CAS | CAL | CAM | 94.2° | 95.8° |
CAG | CAS | CAL | H6 | 146.3° | 144.2° |
CAG | CAS | CAL | H7 | 25.3° | 24.2° |
CAS | CAG | CAF | H9 | 180.0° | 180.0° |
CAR | CAH | CAJ | CAY | 2.1° | 0.2° |
CAR | CAH | CAJ | H13 | 180.0° | 179.7° |
CAH | CAR | CAK | H11 | 177.0° | 180.0° |
CAR | CAH | CAJ | H12 | 177.9° | 179.7° |
CAS | CAY | CAJ | CAH | 179.2° | 179.5° |
CAY | CAS | CAL | CAM | 84.4° | 83.9° |
CAY | CAS | CAL | H6 | 35.1° | 36.0° |
CAY | CAS | CAL | H7 | 156.1° | 156.1° |
CAY | CAS | CAG | H8 | 179.9° | 179.7° |
CAS | CAY | CAJ | H12 | 0.8° | 0.5° |
CAJ | CAY | CAS | CAL | 4.5° | 0.2° |
CAY | CAJ | CAH | H12 | 180.0° | 180.0° |
CAY | CAJ | CAH | H13 | 177.9° | 180.0° |
CAS | CAL | CAM | H6 | 119.5° | 120.0° |
CAS | CAL | CAM | H7 | 119.5° | 120.0° |
CAS | CAL | CAM | CAU | 163.3° | 176.2° |
CAS | CAL | CAM | H4 | 77.5° | 63.8° |
CAS | CAL | CAM | H5 | 44.1° | 56.2° |
CAS | CAL | H6 | H7 | 121.5° | 120.0° |
CAL | CAS | CAG | H8 | 1.1° | 0.1° |
CAL | CAM | CAU | H4 | 119.2° | 120.0° |
CAL | CAM | CAU | H5 | 119.2° | 120.0° |
CAL | CAM | CAU | CAW | 65.0° | 91.6° |
CAL | CAM | CAU | CAT | 113.0° | 88.9° |
CAL | CAM | H4 | H5 | 122.4° | 120.0° |
CAM | CAL | H6 | H7 | 121.5° | 120.0° |
CAM | CAU | CAW | OAD | 3.3° | 0.3° |
CAM | CAU | CAW | CAT | 178.1° | 179.5° |
CAM | CAU | CAW | NAO | 173.9° | 180.0° |
CAM | CAU | CAT | CAQ | 3.2° | 0.2° |
CAM | CAU | CAT | NAN | 178.0° | 180.0° |
CAU | CAM | H4 | H5 | 122.4° | 120.0° |
CAU | CAM | CAL | H6 | 43.8° | 56.2° |
CAU | CAM | CAL | H7 | 77.2° | 63.8° |
OAD | CAW | CAU | NAO | 177.2° | 179.7° |
OAD | CAW | CAU | CAT | 178.5° | 179.8° |
OAD | CAW | NAO | CAV | 175.9° | 180.0° |
OAD | CAW | NAO | H2 | 4.1° | 0.1° |
CAW | CAU | CAT | CAQ | 178.6° | 179.7° |
CAW | CAU | CAT | NAN | 0.1° | 0.5° |
CAU | CAW | NAO | CAV | 6.5° | 0.3° |
CAU | CAW | NAO | H2 | 173.5° | 179.8° |
CAW | CAU | CAM | H4 | 54.1° | 148.4° |
CAW | CAU | CAM | H5 | 175.8° | 28.3° |
CAT | CAU | CAW | NAO | 4.3° | 0.5° |
CAU | CAT | CAQ | NAN | 178.8° | 179.8° |
CAU | CAT | CAQ | OAB | 63.5° | 6.5° |
CAU | CAT | CAQ | OAE | 125.5° | 173.8° |
CAU | CAT | NAN | CAV | 2.4° | 0.2° |
CAT | CAU | CAM | H4 | 127.8° | 31.1° |
CAT | CAU | CAM | H5 | 6.2° | 151.2° |
CAU | CAT | NAN | H17 | 177.6° | 179.7° |
CAW | NAO | CAV | H2 | 180.0° | 179.9° |
CAW | NAO | CAV | NAN | 3.8° | 0.0° |
CAW | NAO | CAV | OAC | 177.0° | 180.0° |
CAT | CAQ | OAB | OAE | 170.5° | 179.7° |
CAQ | CAT | NAN | CAV | 178.8° | 180.0° |
CAT | CAQ | OAE | H1 | 170.5° | 179.7° |
CAQ | CAT | NAN | H17 | 1.2° | 0.0° |
NAN | CAT | CAQ | OAB | 115.4° | 173.3° |
NAN | CAT | CAQ | OAE | 55.7° | 6.4° |
CAT | NAN | CAV | NAO | 0.5° | 0.0° |
CAT | NAN | CAV | H17 | 180.0° | 179.9° |
CAT | NAN | CAV | OAC | 172.9° | 179.9° |
OAB | CAQ | OAE | H1 | 0.0° | 0.0° |
NAO | CAV | NAN | OAC | 173.4° | 180.0° |
NAO | CAV | NAN | H17 | 179.5° | 180.0° |
NAN | CAV | NAO | H2 | 176.2° | 179.9° |
OAC | CAV | NAO | H2 | 3.0° | 0.1° |
OAC | CAV | NAN | H17 | 7.1° | 0.0° |
H4 | CAM | CAL | H6 | 163.0° | 176.2° |
H4 | CAM | CAL | H7 | 42.0° | 56.2° |
H5 | CAM | CAL | H6 | 75.4° | 63.8° |
H5 | CAM | CAL | H7 | 163.6° | 176.2° |
H8 | CAG | CAF | H9 | 0.0° | 0.0° |
H9 | CAF | CAI | H10 | 2.0° | 0.1° |
H12 | CAJ | CAH | H13 | 2.1° | 0.0° |
H14 | CAA | H15 | H16 | 120.0° | 119.9° |