W7N
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
OAE | CAM | sing | 1.43Å | 1.45Å | |
OAB | CAU | doub | 1.22Å | 1.24Å | |
CAH | CAJ | doub | 1.36Å | 1.40Å | Aromatic |
CAH | CAW | sing | 1.41Å | 1.42Å | Aromatic |
CAJ | CBB | sing | 1.41Å | 1.40Å | Aromatic |
CAM | CAN | sing | 1.53Å | 1.56Å | |
CAU | CAW | sing | 1.48Å | 1.40Å | |
CAU | NAQ | sing | 1.35Å | 1.37Å | |
CAW | CAL | doub | 1.38Å | 1.40Å | Aromatic |
CBB | CAK | doub | 1.40Å | 1.39Å | Aromatic |
CBB | CBC | sing | 1.42Å | 1.42Å | Aromatic |
CAK | CAV | sing | 1.36Å | 1.39Å | Aromatic |
CAL | CBC | sing | 1.40Å | 1.38Å | Aromatic |
NAQ | CAN | sing | 1.46Å | 1.48Å | |
CBC | CAI | doub | 1.41Å | 1.39Å | Aromatic |
CAV | CAO | sing | 1.51Å | 1.37Å | |
CAV | CAG | doub | 1.39Å | 1.40Å | Aromatic |
CAO | CAP | sing | 1.53Å | 1.58Å | |
CAI | CAG | sing | 1.36Å | 1.39Å | Aromatic |
CAP | CAX | sing | 1.51Å | 1.42Å | |
OAD | CBA | doub | 1.22Å | 1.25Å | |
CAX | CBA | sing | 1.47Å | 1.41Å | |
CAX | CAY | doub | 1.36Å | 1.40Å | |
CBA | NAS | sing | 1.35Å | 1.41Å | |
OAF | CAT | doub | 1.21Å | 1.27Å | |
CAY | CAT | sing | 1.48Å | 1.42Å | |
CAY | NAR | sing | 1.38Å | 1.42Å | |
CAT | OAA | sing | 1.35Å | 1.27Å | |
NAS | CAZ | sing | 1.34Å | 1.35Å | |
NAR | CAZ | sing | 1.34Å | 1.40Å | |
CAZ | OAC | doub | 1.22Å | 1.23Å | |
OAA | H1 | sing | 0.97Å | 0.95Å | |
NAR | H2 | sing | 0.97Å | 1.00Å | |
NAS | H3 | sing | 0.97Å | 1.00Å | |
CAP | H4 | sing | 1.09Å | 1.10Å | |
CAP | H5 | sing | 1.09Å | 1.10Å | |
CAO | H6 | sing | 1.09Å | 1.10Å | |
CAO | 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 | |
NAQ | H14 | sing | 0.97Å | 1.00Å | |
CAN | H15 | sing | 1.09Å | 1.10Å | |
CAN | H16 | sing | 1.09Å | 1.10Å | |
CAM | H17 | sing | 1.09Å | 1.10Å | |
CAM | H18 | sing | 1.09Å | 1.10Å | |
OAE | H19 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OAE | CAM | CAN | 112.6° | 109.5° |
OAE | CAM | H17 | 108.7° | 109.5° |
OAE | CAM | H18 | 108.7° | 109.5° |
CAM | OAE | H19 | 109.5° | 114.0° |
OAB | CAU | CAW | 120.1° | 120.0° |
OAB | CAU | NAQ | 124.8° | 120.0° |
CAJ | CAH | CAW | 121.2° | 120.9° |
CAH | CAJ | CBB | 116.4° | 120.0° |
CAH | CAJ | H12 | 121.8° | 120.0° |
CAJ | CAH | H13 | 119.4° | 119.5° |
CAH | CAW | CAU | 121.4° | 119.7° |
CAH | CAW | CAL | 121.1° | 120.5° |
CAW | CAH | H13 | 119.4° | 119.6° |
CAJ | CBB | CAK | 118.8° | 121.0° |
CAJ | CBB | CBC | 122.3° | 119.7° |
CBB | CAJ | H12 | 121.8° | 120.0° |
CAM | CAN | NAQ | 112.9° | 109.4° |
CAM | CAN | H15 | 108.6° | 109.5° |
CAM | CAN | H16 | 108.6° | 109.5° |
CAN | CAM | H17 | 108.7° | 109.4° |
CAN | CAM | H18 | 108.7° | 109.5° |
CAW | CAU | NAQ | 114.9° | 120.0° |
CAU | CAW | CAL | 117.5° | 119.7° |
CAU | NAQ | CAN | 123.3° | 120.0° |
CAU | NAQ | H14 | 118.4° | 120.0° |
CAW | CAL | CBC | 118.6° | 119.5° |
CAW | CAL | H11 | 120.7° | 120.3° |
CAK | CBB | CBC | 118.9° | 119.3° |
CBB | CAK | CAV | 119.3° | 119.7° |
CBB | CAK | H8 | 120.3° | 120.2° |
CBB | CBC | CAL | 120.4° | 119.5° |
CBB | CBC | CAI | 122.3° | 119.3° |
CAK | CAV | CAO | 118.3° | 119.5° |
CAK | CAV | CAG | 120.7° | 121.0° |
CAV | CAK | H8 | 120.3° | 120.1° |
CAL | CBC | CAI | 117.3° | 121.2° |
CBC | CAL | H11 | 120.7° | 120.3° |
CAN | NAQ | H14 | 118.3° | 120.0° |
NAQ | CAN | H15 | 108.6° | 109.5° |
NAQ | CAN | H16 | 108.6° | 109.4° |
CBC | CAI | CAG | 117.7° | 119.7° |
CBC | CAI | H10 | 121.2° | 120.1° |
CAO | CAV | CAG | 121.0° | 119.5° |
CAV | CAO | CAP | 107.8° | 109.4° |
CAV | CAO | H6 | 109.9° | 109.5° |
CAV | CAO | H7 | 109.9° | 109.4° |
CAV | CAG | CAI | 121.1° | 121.0° |
CAV | CAG | H9 | 119.4° | 119.5° |
CAO | CAP | CAX | 110.1° | 109.4° |
CAO | CAP | H4 | 109.3° | 109.5° |
CAO | CAP | H5 | 109.3° | 109.5° |
CAP | CAO | H6 | 109.9° | 109.5° |
CAP | CAO | H7 | 109.9° | 109.5° |
CAI | CAG | H9 | 119.5° | 119.5° |
CAG | CAI | H10 | 121.2° | 120.2° |
CAP | CAX | CBA | 119.2° | 120.8° |
CAP | CAX | CAY | 121.2° | 120.8° |
CAX | CAP | H4 | 109.3° | 109.5° |
CAX | CAP | H5 | 109.3° | 109.4° |
OAD | CBA | CAX | 122.0° | 120.6° |
OAD | CBA | NAS | 117.9° | 120.6° |
CBA | CAX | CAY | 119.5° | 118.4° |
CAX | CBA | NAS | 120.0° | 118.8° |
CAX | CAY | CAT | 124.4° | 120.3° |
CAX | CAY | NAR | 118.2° | 119.4° |
CBA | NAS | CAZ | 121.6° | 120.5° |
CBA | NAS | H3 | 119.2° | 119.8° |
OAF | CAT | CAY | 117.7° | 120.0° |
OAF | CAT | OAA | 119.8° | 120.0° |
CAT | CAY | NAR | 117.3° | 120.3° |
CAY | CAT | OAA | 122.4° | 120.0° |
CAY | NAR | CAZ | 121.6° | 121.2° |
CAY | NAR | H2 | 119.2° | 119.4° |
CAT | OAA | H1 | 109.5° | 117.0° |
NAS | CAZ | NAR | 119.1° | 121.8° |
NAS | CAZ | OAC | 118.8° | 119.1° |
CAZ | NAS | H3 | 119.2° | 119.8° |
NAR | CAZ | OAC | 122.2° | 119.1° |
CAZ | NAR | H2 | 119.2° | 119.4° |
H4 | CAP | H5 | 109.5° | 109.5° |
H6 | CAO | H7 | 109.5° | 109.5° |
H15 | CAN | H16 | 109.5° | 109.5° |
H17 | CAM | H18 | 109.4° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OAE | CAM | CAN | H17 | 120.5° | 120.0° |
OAE | CAM | CAN | H18 | 120.5° | 120.1° |
OAE | CAM | CAN | NAQ | 73.1° | 65.0° |
OAE | CAM | CAN | H15 | 166.4° | 55.0° |
OAE | CAM | CAN | H16 | 47.4° | 175.0° |
OAE | CAM | H17 | H18 | 118.5° | 120.1° |
OAB | CAU | CAW | CAH | 14.9° | 180.0° |
OAB | CAU | CAW | NAQ | 175.5° | 180.0° |
OAB | CAU | CAW | CAL | 165.7° | 0.5° |
OAB | CAU | NAQ | CAN | 4.7° | 0.0° |
OAB | CAU | NAQ | H14 | 175.3° | 180.0° |
CAJ | CAH | CAW | H13 | 180.0° | 179.8° |
CAH | CAJ | CBB | H12 | 180.0° | 179.9° |
CAJ | CAH | CAW | CAU | 179.7° | 179.9° |
CAJ | CAH | CAW | CAL | 0.3° | 0.4° |
CAH | CAJ | CBB | CAK | 179.6° | 180.0° |
CAH | CAJ | CBB | CBC | 0.8° | 0.1° |
CAW | CAH | CAJ | CBB | 0.5° | 0.2° |
CAH | CAW | CAU | CAL | 179.4° | 179.5° |
CAH | CAW | CAU | NAQ | 160.6° | 0.0° |
CAH | CAW | CAL | CBC | 0.3° | 0.5° |
CAH | CAW | CAL | H11 | 179.7° | 179.5° |
CAW | CAH | CAJ | H12 | 179.5° | 179.8° |
CAJ | CBB | CAK | CBC | 179.7° | 180.0° |
CAJ | CBB | CAK | CAV | 179.7° | 180.0° |
CAJ | CBB | CBC | CAL | 0.8° | 0.0° |
CAJ | CBB | CBC | CAI | 179.5° | 179.7° |
CAJ | CBB | CAK | H8 | 0.3° | 0.0° |
CBB | CAJ | CAH | H13 | 179.5° | 180.0° |
CAM | CAN | NAQ | CAU | 28.2° | 180.0° |
CAM | CAN | NAQ | H15 | 120.5° | 120.0° |
CAM | CAN | NAQ | H16 | 120.5° | 120.0° |
CAM | CAN | NAQ | H14 | 151.8° | 0.0° |
CAM | CAN | H15 | H16 | 118.5° | 120.0° |
CAN | CAM | H17 | H18 | 118.6° | 120.0° |
CAN | CAM | OAE | H19 | 180.0° | 180.0° |
CAU | CAW | CAL | CBC | 179.7° | 180.0° |
CAW | CAU | NAQ | CAN | 179.9° | 180.0° |
CAU | CAW | CAL | H11 | 0.3° | 0.1° |
CAU | CAW | CAH | H13 | 0.3° | 0.2° |
CAW | CAU | NAQ | H14 | 0.1° | 0.0° |
NAQ | CAU | CAW | CAL | 18.8° | 179.5° |
CAU | NAQ | CAN | H14 | 180.0° | 180.0° |
CAU | NAQ | CAN | H15 | 92.3° | 60.0° |
CAU | NAQ | CAN | H16 | 148.8° | 60.1° |
CAW | CAL | CBC | CBB | 0.5° | 0.2° |
CAW | CAL | CBC | H11 | 180.0° | 179.9° |
CAW | CAL | CBC | CAI | 179.3° | 180.0° |
CAL | CAW | CAH | H13 | 179.7° | 179.8° |
CBB | CAK | CAV | H8 | 180.0° | 180.0° |
CAK | CBB | CBC | CAL | 179.5° | 180.0° |
CAK | CBB | CBC | CAI | 0.9° | 0.3° |
CBB | CAK | CAV | CAO | 178.6° | 180.0° |
CBB | CAK | CAV | CAG | 0.4° | 0.2° |
CAK | CBB | CAJ | H12 | 0.4° | 0.0° |
CBC | CBB | CAK | CAV | 0.1° | 0.0° |
CBB | CBC | CAL | CAI | 178.8° | 179.7° |
CBB | CBC | CAI | CAG | 1.2° | 0.3° |
CBC | CBB | CAK | H8 | 180.0° | 180.0° |
CBB | CBC | CAI | H10 | 178.8° | 179.7° |
CBB | CBC | CAL | H11 | 179.5° | 179.7° |
CBC | CBB | CAJ | H12 | 179.2° | 180.0° |
CAK | CAV | CAO | CAG | 178.2° | 179.8° |
CAK | CAV | CAO | CAP | 101.8° | 89.7° |
CAK | CAV | CAG | CAI | 0.0° | 0.2° |
CAK | CAV | CAO | H6 | 138.5° | 150.3° |
CAK | CAV | CAO | H7 | 18.0° | 30.3° |
CAK | CAV | CAG | H9 | 180.0° | 179.7° |
CAL | CBC | CAI | CAG | 179.9° | 180.0° |
CAL | CBC | CAI | H10 | 0.1° | 0.0° |
NAQ | CAN | H15 | H16 | 118.4° | 120.0° |
NAQ | CAN | CAM | H17 | 47.4° | 175.0° |
NAQ | CAN | CAM | H18 | 166.4° | 55.0° |
CBC | CAI | CAG | CAV | 0.7° | 0.1° |
CBC | CAI | CAG | H10 | 180.0° | 180.0° |
CBC | CAI | CAG | H9 | 179.3° | 180.0° |
CAI | CBC | CAL | H11 | 0.7° | 0.1° |
CAV | CAO | CAP | H6 | 119.8° | 120.0° |
CAV | CAO | CAP | H7 | 119.8° | 119.9° |
CAO | CAV | CAG | CAI | 178.2° | 179.9° |
CAV | CAO | CAP | CAX | 78.9° | NaN° |
CAV | CAO | CAP | H4 | 161.0° | 60.0° |
CAV | CAO | CAP | H5 | 41.2° | 60.1° |
CAV | CAO | H6 | H7 | 120.8° | 120.0° |
CAO | CAV | CAK | H8 | 1.4° | 0.0° |
CAO | CAV | CAG | H9 | 1.8° | 0.0° |
CAG | CAV | CAO | CAP | 76.5° | 90.0° |
CAV | CAG | CAI | H9 | 180.0° | 179.9° |
CAG | CAV | CAO | H6 | 43.3° | 30.0° |
CAG | CAV | CAO | H7 | 163.8° | 150.0° |
CAG | CAV | CAK | H8 | 179.6° | 179.8° |
CAV | CAG | CAI | H10 | 179.3° | 179.9° |
CAO | CAP | CAX | H4 | 120.1° | 120.0° |
CAO | CAP | CAX | H5 | 120.1° | 120.0° |
CAO | CAP | CAX | CBA | 66.8° | 88.2° |
CAO | CAP | CAX | CAY | 111.9° | 91.3° |
CAO | CAP | H4 | H5 | 119.7° | 120.0° |
CAP | CAO | H6 | H7 | 120.7° | 120.0° |
CAP | CAX | CBA | OAD | 3.4° | 0.2° |
CAP | CAX | CBA | CAY | 178.8° | 179.6° |
CAP | CAX | CBA | NAS | 179.9° | 180.0° |
CAP | CAX | CAY | CAT | 0.7° | 0.3° |
CAP | CAX | CAY | NAR | 179.1° | 180.0° |
CAX | CAP | H4 | H5 | 119.7° | 120.0° |
CAX | CAP | CAO | H6 | 40.9° | 60.0° |
CAX | CAP | CAO | H7 | 161.4° | 60.1° |
OAD | CBA | CAX | NAS | 176.7° | 179.8° |
OAD | CBA | CAX | CAY | 177.8° | 179.8° |
OAD | CBA | NAS | CAZ | 178.6° | 180.0° |
OAD | CBA | NAS | H3 | 1.4° | 0.0° |
CBA | CAX | CAY | CAT | 178.1° | 179.8° |
CBA | CAX | CAY | NAR | 0.3° | 0.5° |
CAX | CBA | NAS | CAZ | 1.8° | 0.2° |
CAX | CBA | NAS | H3 | 178.2° | 179.8° |
CBA | CAX | CAP | H4 | 53.3° | 31.8° |
CBA | CAX | CAP | H5 | 173.1° | 151.8° |
CAY | CAX | CBA | NAS | 1.1° | 0.4° |
CAX | CAY | CAT | OAF | 125.1° | 6.3° |
CAX | CAY | CAT | NAR | 178.4° | 179.7° |
CAX | CAY | CAT | OAA | 57.0° | 173.7° |
CAX | CAY | NAR | CAZ | 0.1° | 0.3° |
CAX | CAY | NAR | H2 | 179.9° | 179.7° |
CAY | CAX | CAP | H4 | 128.0° | 148.6° |
CAY | CAX | CAP | H5 | 8.1° | 28.7° |
CBA | NAS | CAZ | H3 | 180.0° | 180.0° |
CBA | NAS | CAZ | NAR | 1.6° | 0.0° |
CBA | NAS | CAZ | OAC | 178.6° | 179.9° |
OAF | CAT | CAY | OAA | 177.9° | 180.0° |
OAF | CAT | CAY | NAR | 53.2° | 174.0° |
OAF | CAT | OAA | H1 | 0.0° | 0.0° |
CAT | CAY | NAR | CAZ | 178.4° | 180.0° |
CAY | CAT | OAA | H1 | 177.9° | 180.0° |
CAT | CAY | NAR | H2 | 1.6° | 0.0° |
NAR | CAY | CAT | OAA | 124.6° | 6.0° |
CAY | NAR | CAZ | NAS | 0.7° | 0.0° |
CAY | NAR | CAZ | H2 | 180.0° | 180.0° |
CAY | NAR | CAZ | OAC | 179.4° | 180.0° |
NAS | CAZ | NAR | OAC | 179.8° | 180.0° |
NAS | CAZ | NAR | H2 | 179.3° | 180.0° |
NAR | CAZ | NAS | H3 | 178.4° | 180.0° |
OAC | CAZ | NAR | H2 | 0.6° | 0.0° |
OAC | CAZ | NAS | H3 | 1.4° | 0.0° |
H4 | CAP | CAO | H6 | 79.2° | NaN° |
H4 | CAP | CAO | H7 | 41.3° | 60.0° |
H5 | CAP | CAO | H6 | 161.0° | 60.0° |
H5 | CAP | CAO | H7 | 78.6° | 180.0° |
H9 | CAG | CAI | H10 | 0.7° | 0.0° |
H12 | CAJ | CAH | H13 | 0.5° | 0.0° |
H14 | NAQ | CAN | H15 | 87.7° | 120.0° |
H14 | NAQ | CAN | H16 | 31.2° | 120.0° |
H15 | CAN | CAM | H17 | 73.1° | 65.0° |
H15 | CAN | CAM | H18 | 45.9° | 175.0° |
H16 | CAN | CAM | H17 | 167.9° | 55.0° |
H16 | CAN | CAM | H18 | 73.1° | 64.9° |
H17 | CAM | OAE | H19 | 59.5° | 60.0° |
H18 | CAM | OAE | H19 | 59.5° | 60.0° |