W7M
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAD | CAX | doub | 1.22Å | 1.24Å | |
CAX | NAO | sing | 1.34Å | 1.38Å | |
CAX | NAP | sing | 1.35Å | 1.36Å | |
NAO | CAV | sing | 1.38Å | 1.40Å | |
NAP | CAY | sing | 1.35Å | 1.40Å | |
OAF | CAR | doub | 1.21Å | 1.26Å | |
OAB | CAR | sing | 1.35Å | 1.28Å | |
CAV | CAR | sing | 1.48Å | 1.40Å | |
CAV | CAW | doub | 1.36Å | 1.39Å | |
CAY | CAW | sing | 1.47Å | 1.39Å | |
CAY | OAE | doub | 1.22Å | 1.25Å | |
CAW | CAN | sing | 1.51Å | 1.40Å | |
CAN | CAM | sing | 1.53Å | 1.60Å | |
CAG | CAI | doub | 1.36Å | 1.40Å | Aromatic |
CAG | CAT | sing | 1.39Å | 1.40Å | Aromatic |
CAI | CBA | sing | 1.41Å | 1.39Å | Aromatic |
CAA | OAQ | sing | 1.45Å | 1.41Å | |
CAM | CAT | sing | 1.51Å | 1.42Å | |
CAT | CAK | doub | 1.36Å | 1.41Å | Aromatic |
CBA | CAL | doub | 1.40Å | 1.40Å | Aromatic |
CBA | CAZ | sing | 1.42Å | 1.41Å | Aromatic |
CAL | CAU | sing | 1.39Å | 1.41Å | Aromatic |
CAK | CAZ | sing | 1.40Å | 1.43Å | Aromatic |
CAZ | CAJ | doub | 1.41Å | 1.40Å | Aromatic |
OAQ | CAS | sing | 1.35Å | 1.36Å | |
CAU | CAS | sing | 1.48Å | 1.44Å | |
CAU | CAH | doub | 1.41Å | 1.41Å | Aromatic |
CAS | OAC | doub | 1.21Å | 1.23Å | |
CAJ | CAH | sing | 1.36Å | 1.40Å | Aromatic |
OAB | H1 | sing | 0.97Å | 0.95Å | |
NAP | H2 | sing | 0.97Å | 1.00Å | |
CAN | H4 | sing | 1.09Å | 1.10Å | |
CAN | H5 | sing | 1.09Å | 1.10Å | |
CAM | H6 | sing | 1.09Å | 1.10Å | |
CAM | H7 | sing | 1.09Å | 1.10Å | |
CAK | H8 | sing | 1.08Å | 1.08Å | |
CAG | H9 | sing | 1.08Å | 1.08Å | |
CAI | H10 | sing | 1.08Å | 1.08Å | |
CAL | 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 | |
NAO | H17 | sing | 0.97Å | 1.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAD | CAX | NAO | 120.4° | 119.1° |
OAD | CAX | NAP | 121.1° | 119.1° |
NAO | CAX | NAP | 118.5° | 121.7° |
CAX | NAO | CAV | 120.4° | 121.2° |
CAX | NAO | H17 | 119.8° | 119.4° |
CAX | NAP | CAY | 122.2° | 120.4° |
CAX | NAP | H2 | 118.9° | 119.8° |
NAO | CAV | CAR | 114.6° | 120.3° |
NAO | CAV | CAW | 121.2° | 119.3° |
CAV | NAO | H17 | 119.8° | 119.4° |
NAP | CAY | CAW | 119.5° | 118.8° |
NAP | CAY | OAE | 118.7° | 120.6° |
CAY | NAP | H2 | 118.9° | 119.8° |
OAF | CAR | OAB | 122.2° | 120.0° |
OAF | CAR | CAV | 117.2° | 120.0° |
OAB | CAR | CAV | 120.5° | 120.0° |
CAR | OAB | H1 | 109.5° | 117.0° |
CAR | CAV | CAW | 124.2° | 120.4° |
CAV | CAW | CAY | 118.1° | 118.4° |
CAV | CAW | CAN | 123.9° | 120.7° |
CAW | CAY | OAE | 121.8° | 120.6° |
CAY | CAW | CAN | 118.0° | 120.8° |
CAW | CAN | CAM | 107.3° | 109.5° |
CAW | CAN | H4 | 110.0° | 109.5° |
CAW | CAN | H5 | 110.0° | 109.5° |
CAN | CAM | CAT | 114.1° | 109.5° |
CAM | CAN | H4 | 110.0° | 109.4° |
CAM | CAN | H5 | 110.0° | 109.5° |
CAN | CAM | H6 | 108.3° | 109.4° |
CAN | CAM | H7 | 108.3° | 109.5° |
CAI | CAG | CAT | 121.1° | 121.0° |
CAG | CAI | CBA | 121.2° | 119.6° |
CAI | CAG | H9 | 119.4° | 119.5° |
CAG | CAI | H10 | 119.4° | 120.2° |
CAG | CAT | CAM | 119.6° | 119.5° |
CAG | CAT | CAK | 118.1° | 121.0° |
CAT | CAG | H9 | 119.5° | 119.5° |
CAI | CBA | CAL | 120.1° | 121.1° |
CAI | CBA | CAZ | 118.8° | 119.4° |
CBA | CAI | H10 | 119.4° | 120.2° |
CAA | OAQ | CAS | 118.5° | 117.0° |
OAQ | CAA | H14 | 109.5° | 109.5° |
OAQ | CAA | H15 | 109.5° | 109.5° |
OAQ | CAA | H16 | 109.5° | 109.4° |
CAM | CAT | CAK | 122.3° | 119.5° |
CAT | CAM | H6 | 108.3° | 109.5° |
CAT | CAM | H7 | 108.3° | 109.5° |
CAT | CAK | CAZ | 120.9° | 119.7° |
CAT | CAK | H8 | 119.6° | 120.1° |
CAL | CBA | CAZ | 121.1° | 119.5° |
CBA | CAL | CAU | 121.9° | 119.4° |
CBA | CAL | H11 | 119.1° | 120.3° |
CBA | CAZ | CAK | 119.8° | 119.3° |
CBA | CAZ | CAJ | 118.2° | 119.7° |
CAL | CAU | CAS | 124.8° | 119.7° |
CAL | CAU | CAH | 115.8° | 120.5° |
CAU | CAL | H11 | 119.1° | 120.3° |
CAK | CAZ | CAJ | 121.9° | 121.0° |
CAZ | CAK | H8 | 119.6° | 120.1° |
CAZ | CAJ | CAH | 119.7° | 120.0° |
CAZ | CAJ | H12 | 120.1° | 120.0° |
OAQ | CAS | CAU | 120.7° | 120.0° |
OAQ | CAS | OAC | 117.6° | 119.9° |
CAS | CAU | CAH | 119.4° | 119.7° |
CAU | CAS | OAC | 121.5° | 120.1° |
CAU | CAH | CAJ | 123.2° | 120.8° |
CAU | CAH | H13 | 118.4° | 119.6° |
CAH | CAJ | H12 | 120.1° | 120.0° |
CAJ | CAH | H13 | 118.4° | 119.5° |
H4 | CAN | H5 | 109.5° | 109.5° |
H6 | CAM | H7 | 109.5° | 109.5° |
H14 | CAA | H15 | 109.5° | 109.5° |
H14 | CAA | H16 | 109.4° | 109.5° |
H15 | CAA | H16 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAD | CAX | NAO | NAP | 179.7° | 180.0° |
OAD | CAX | NAO | CAV | 179.8° | 180.0° |
OAD | CAX | NAP | CAY | 179.7° | 180.0° |
OAD | CAX | NAP | H2 | 0.3° | 0.0° |
OAD | CAX | NAO | H17 | 0.2° | 0.0° |
CAX | NAO | CAV | H17 | 180.0° | 180.0° |
NAO | CAX | NAP | CAY | 0.6° | 0.1° |
CAX | NAO | CAV | CAR | 179.0° | 180.0° |
CAX | NAO | CAV | CAW | 0.0° | 0.3° |
NAO | CAX | NAP | H2 | 179.4° | 180.0° |
NAP | CAX | NAO | CAV | 0.4° | 0.1° |
CAX | NAP | CAY | H2 | 180.0° | 179.9° |
CAX | NAP | CAY | CAW | 0.3° | 0.3° |
CAX | NAP | CAY | OAE | 179.3° | 180.0° |
NAP | CAX | NAO | H17 | 179.5° | 180.0° |
NAO | CAV | CAR | OAF | 50.1° | 174.0° |
NAO | CAV | CAR | OAB | 125.5° | 6.0° |
NAO | CAV | CAR | CAW | 179.0° | 179.8° |
NAO | CAV | CAW | CAY | 0.2° | 0.5° |
NAO | CAV | CAW | CAN | 178.2° | 179.7° |
NAP | CAY | CAW | CAV | 0.1° | 0.5° |
NAP | CAY | CAW | OAE | 178.9° | 179.7° |
NAP | CAY | CAW | CAN | 178.4° | 179.7° |
OAF | CAR | OAB | CAV | 175.5° | 179.9° |
OAF | CAR | CAV | CAW | 128.9° | 6.3° |
OAF | CAR | OAB | H1 | 0.0° | 0.1° |
OAB | CAR | CAV | CAW | 55.4° | 173.8° |
CAR | CAV | CAW | CAY | 179.2° | 179.8° |
CAR | CAV | CAW | CAN | 0.8° | 0.0° |
CAV | CAR | OAB | H1 | 175.5° | 180.0° |
CAR | CAV | NAO | H17 | 1.0° | 0.0° |
CAV | CAW | CAY | CAN | 178.5° | 179.8° |
CAV | CAW | CAY | OAE | 178.8° | 179.8° |
CAV | CAW | CAN | CAM | 100.7° | 91.5° |
CAV | CAW | CAN | H4 | 19.0° | 148.6° |
CAV | CAW | CAN | H5 | 139.6° | 28.6° |
CAW | CAV | NAO | H17 | 179.9° | 179.7° |
CAY | CAW | CAN | CAM | 77.7° | 88.3° |
CAW | CAY | NAP | H2 | 179.7° | 179.8° |
CAY | CAW | CAN | H4 | 162.6° | 31.6° |
CAY | CAW | CAN | H5 | 42.0° | 151.7° |
OAE | CAY | CAW | CAN | 2.7° | 0.1° |
OAE | CAY | NAP | H2 | 0.7° | 0.1° |
CAW | CAN | CAM | H4 | 119.7° | 119.9° |
CAW | CAN | CAM | H5 | 119.7° | 120.0° |
CAW | CAN | CAM | CAT | 83.4° | 180.0° |
CAW | CAN | H4 | H5 | 121.0° | 120.0° |
CAW | CAN | CAM | H6 | 155.9° | 60.1° |
CAW | CAN | CAM | H7 | 37.3° | 60.0° |
CAN | CAM | CAT | CAG | 87.7° | 90.3° |
CAN | CAM | CAT | H6 | 120.7° | 119.9° |
CAN | CAM | CAT | H7 | 120.7° | 120.0° |
CAN | CAM | CAT | CAK | 93.8° | 90.0° |
CAM | CAN | H4 | H5 | 121.0° | 120.0° |
CAN | CAM | H6 | H7 | 117.9° | 120.1° |
CAI | CAG | CAT | H9 | 180.0° | 180.0° |
CAG | CAI | CBA | H10 | 180.0° | 179.9° |
CAI | CAG | CAT | CAM | 179.8° | 179.9° |
CAI | CAG | CAT | CAK | 1.6° | 0.2° |
CAG | CAI | CBA | CAL | 179.3° | 180.0° |
CAG | CAI | CBA | CAZ | 0.8° | 0.3° |
CAT | CAG | CAI | CBA | 0.7° | 0.1° |
CAG | CAT | CAM | CAK | 178.5° | 179.7° |
CAG | CAT | CAK | CAZ | 1.2° | 0.3° |
CAG | CAT | CAM | H6 | 151.6° | 149.7° |
CAG | CAT | CAM | H7 | 33.0° | 29.7° |
CAG | CAT | CAK | H8 | 178.8° | 179.8° |
CAT | CAG | CAI | H10 | 179.3° | 180.0° |
CAI | CBA | CAL | CAZ | 180.0° | 179.7° |
CAI | CBA | CAL | CAU | 179.7° | 179.9° |
CAI | CBA | CAZ | CAK | 1.1° | 0.3° |
CAI | CBA | CAZ | CAJ | 179.5° | 179.7° |
CBA | CAI | CAG | H9 | 179.4° | 180.0° |
CAI | CBA | CAL | H11 | 0.3° | 0.0° |
CAA | OAQ | CAS | CAU | 60.0° | 180.0° |
CAA | OAQ | CAS | OAC | 124.0° | 0.0° |
OAQ | CAA | H14 | H15 | 120.0° | 120.0° |
OAQ | CAA | H14 | H16 | 120.0° | 119.9° |
OAQ | CAA | H15 | H16 | 120.0° | 120.0° |
CAM | CAT | CAK | CAZ | 179.8° | 180.0° |
CAT | CAM | CAN | H4 | 36.2° | 60.1° |
CAT | CAM | CAN | H5 | 156.9° | 60.0° |
CAT | CAM | H6 | H7 | 117.9° | 120.0° |
CAM | CAT | CAK | H8 | 0.2° | 0.1° |
CAM | CAT | CAG | H9 | 0.2° | 0.1° |
CAT | CAK | CAZ | CBA | 0.1° | 0.0° |
CAT | CAK | CAZ | H8 | 180.0° | 180.0° |
CAT | CAK | CAZ | CAJ | 178.4° | 180.0° |
CAK | CAT | CAM | H6 | 26.9° | 30.0° |
CAK | CAT | CAM | H7 | 145.5° | 150.0° |
CAK | CAT | CAG | H9 | 178.4° | 179.8° |
CBA | CAL | CAU | H11 | 180.0° | 179.9° |
CAL | CBA | CAZ | CAK | 178.9° | 180.0° |
CAL | CBA | CAZ | CAJ | 0.5° | 0.0° |
CBA | CAL | CAU | CAS | 179.0° | 180.0° |
CBA | CAL | CAU | CAH | 0.5° | 0.4° |
CAL | CBA | CAI | H10 | 0.7° | 0.1° |
CAZ | CBA | CAL | CAU | 0.3° | 0.2° |
CBA | CAZ | CAK | CAJ | 178.3° | 180.0° |
CBA | CAZ | CAJ | CAH | 1.0° | 0.0° |
CBA | CAZ | CAK | H8 | 179.9° | 180.0° |
CAZ | CBA | CAI | H10 | 179.3° | 179.8° |
CAZ | CBA | CAL | H11 | 179.8° | 179.7° |
CBA | CAZ | CAJ | H12 | 178.9° | 180.0° |
CAL | CAU | CAS | OAQ | 12.2° | 180.0° |
CAL | CAU | CAS | CAH | 179.5° | 179.6° |
CAL | CAU | CAS | OAC | 172.0° | 0.0° |
CAL | CAU | CAH | CAJ | 0.0° | 0.4° |
CAL | CAU | CAH | H13 | 180.0° | 179.8° |
CAK | CAZ | CAJ | CAH | 179.4° | 180.0° |
CAK | CAZ | CAJ | H12 | 0.6° | 0.0° |
CAZ | CAJ | CAH | CAU | 0.8° | 0.2° |
CAZ | CAJ | CAH | H12 | 180.0° | 180.0° |
CAJ | CAZ | CAK | H8 | 1.6° | 0.0° |
CAZ | CAJ | CAH | H13 | 179.2° | 180.0° |
OAQ | CAS | CAU | OAC | 175.8° | 180.0° |
OAQ | CAS | CAU | CAH | 167.2° | 0.5° |
CAS | OAQ | CAA | H14 | 180.0° | 60.0° |
CAS | OAQ | CAA | H15 | 60.0° | 180.0° |
CAS | OAQ | CAA | H16 | 60.0° | 60.0° |
CAS | CAU | CAH | CAJ | 179.5° | 180.0° |
CAS | CAU | CAL | H11 | 1.0° | 0.1° |
CAS | CAU | CAH | H13 | 0.5° | 0.2° |
CAH | CAU | CAS | OAC | 8.5° | 179.6° |
CAU | CAH | CAJ | H13 | 180.0° | 179.8° |
CAH | CAU | CAL | H11 | 179.5° | 179.5° |
CAU | CAH | CAJ | H12 | 179.2° | 179.8° |
H4 | CAN | CAM | H6 | 84.5° | 180.0° |
H4 | CAN | CAM | H7 | 156.9° | 60.0° |
H5 | CAN | CAM | H6 | 36.2° | 60.0° |
H5 | CAN | CAM | H7 | 82.4° | 180.0° |
H9 | CAG | CAI | H10 | 0.7° | 0.0° |
H12 | CAJ | CAH | H13 | 0.8° | 0.1° |
H14 | CAA | H15 | H16 | 119.9° | 120.0° |