W7I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAF | doub | 1.36Å | 1.41Å | Aromatic |
| CAH | CAX | sing | 1.41Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.39Å | 1.41Å | Aromatic |
| CAJ | CAX | doub | 1.41Å | 1.44Å | Aromatic |
| CAJ | CAR | sing | 1.36Å | 1.41Å | Aromatic |
| CAX | CAY | sing | 1.42Å | 1.39Å | Aromatic |
| CAL | CAR | sing | 1.51Å | 1.43Å | |
| CAL | CAM | sing | 1.53Å | 1.58Å | |
| CAG | CAI | doub | 1.36Å | 1.41Å | Aromatic |
| CAR | CAS | doub | 1.40Å | 1.42Å | Aromatic |
| CAY | CAI | sing | 1.41Å | 1.45Å | Aromatic |
| CAY | CAK | doub | 1.40Å | 1.43Å | Aromatic |
| CAS | CAK | sing | 1.37Å | 1.45Å | Aromatic |
| CAS | OAP | sing | 1.36Å | 1.40Å | |
| OAP | CAA | sing | 1.43Å | 1.52Å | |
| CAM | CAU | sing | 1.51Å | 1.50Å | |
| OAD | CAW | doub | 1.22Å | 1.20Å | |
| CAU | CAW | sing | 1.47Å | 1.38Å | |
| CAU | CAT | doub | 1.36Å | 1.39Å | |
| CAW | NAO | sing | 1.35Å | 1.39Å | |
| CAT | CAQ | sing | 1.48Å | 1.46Å | |
| CAT | NAN | sing | 1.38Å | 1.42Å | |
| OAE | CAQ | doub | 1.21Å | 1.27Å | |
| CAQ | OAB | sing | 1.35Å | 1.25Å | |
| NAO | CAV | sing | 1.34Å | 1.34Å | |
| NAN | CAV | sing | 1.34Å | 1.38Å | |
| CAV | OAC | doub | 1.22Å | 1.24Å | |
| OAB | H1 | sing | 0.97Å | 0.95Å | |
| NAN | H2 | sing | 0.97Å | 1.00Å | |
| NAO | H3 | 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 | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAG | H11 | sing | 1.08Å | 1.08Å | |
| CAI | H12 | sing | 1.08Å | 1.08Å | |
| CAK | 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 |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAH | CAX | 119.2° | 119.6° |
| CAH | CAF | CAG | 121.5° | 121.0° |
| CAF | CAH | H9 | 120.4° | 120.2° |
| CAH | CAF | H10 | 119.2° | 119.5° |
| CAH | CAX | CAJ | 117.8° | 121.2° |
| CAH | CAX | CAY | 120.3° | 119.3° |
| CAX | CAH | H9 | 120.4° | 120.2° |
| CAF | CAG | CAI | 119.3° | 121.0° |
| CAG | CAF | H10 | 119.2° | 119.5° |
| CAF | CAG | H11 | 120.3° | 119.5° |
| CAX | CAJ | CAR | 120.9° | 119.7° |
| CAJ | CAX | CAY | 121.9° | 119.5° |
| CAX | CAJ | H8 | 119.5° | 120.2° |
| CAJ | CAR | CAL | 119.7° | 119.5° |
| CAJ | CAR | CAS | 117.7° | 121.0° |
| CAR | CAJ | H8 | 119.5° | 120.1° |
| CAX | CAY | CAI | 120.9° | 119.4° |
| CAX | CAY | CAK | 118.4° | 119.4° |
| CAR | CAL | CAM | 112.1° | 109.5° |
| CAL | CAR | CAS | 122.5° | 119.5° |
| CAR | CAL | H6 | 108.8° | 109.4° |
| CAR | CAL | H7 | 108.8° | 109.5° |
| CAL | CAM | CAU | 109.3° | 109.5° |
| CAL | CAM | H4 | 109.5° | 109.5° |
| CAL | CAM | H5 | 109.5° | 109.5° |
| CAM | CAL | H6 | 108.8° | 109.5° |
| CAM | CAL | H7 | 108.8° | 109.5° |
| CAG | CAI | CAY | 118.7° | 119.6° |
| CAI | CAG | H11 | 120.3° | 119.5° |
| CAG | CAI | H12 | 120.6° | 120.2° |
| CAR | CAS | CAK | 121.2° | 120.8° |
| CAR | CAS | OAP | 112.5° | 119.6° |
| CAI | CAY | CAK | 120.6° | 121.2° |
| CAY | CAI | H12 | 120.6° | 120.2° |
| CAY | CAK | CAS | 119.7° | 119.6° |
| CAY | CAK | H13 | 120.2° | 120.2° |
| CAK | CAS | OAP | 126.3° | 119.6° |
| CAS | CAK | H13 | 120.2° | 120.2° |
| CAS | OAP | CAA | 117.2° | 117.0° |
| OAP | CAA | H14 | 109.5° | 109.5° |
| OAP | CAA | H15 | 109.5° | 109.5° |
| OAP | CAA | H16 | 109.5° | 109.5° |
| CAM | CAU | CAW | 119.6° | 120.8° |
| CAM | CAU | CAT | 123.0° | 120.8° |
| CAU | CAM | H4 | 109.5° | 109.5° |
| CAU | CAM | H5 | 109.5° | 109.4° |
| OAD | CAW | CAU | 125.1° | 120.6° |
| OAD | CAW | NAO | 115.4° | 120.5° |
| CAW | CAU | CAT | 117.5° | 118.4° |
| CAU | CAW | NAO | 119.4° | 118.9° |
| CAU | CAT | CAQ | 125.4° | 120.3° |
| CAU | CAT | NAN | 121.7° | 119.4° |
| CAW | NAO | CAV | 123.8° | 120.4° |
| CAW | NAO | H3 | 118.1° | 119.9° |
| CAQ | CAT | NAN | 113.0° | 120.3° |
| CAT | CAQ | OAE | 118.7° | 120.0° |
| CAT | CAQ | OAB | 116.1° | 120.0° |
| CAT | NAN | CAV | 119.2° | 121.1° |
| CAT | NAN | H2 | 120.4° | 119.4° |
| OAE | CAQ | OAB | 124.9° | 120.0° |
| CAQ | OAB | H1 | 109.5° | 117.0° |
| NAO | CAV | NAN | 118.3° | 121.8° |
| NAO | CAV | OAC | 120.2° | 119.2° |
| CAV | NAO | H3 | 118.1° | 119.7° |
| NAN | CAV | OAC | 121.3° | 119.1° |
| CAV | NAN | H2 | 120.4° | 119.5° |
| H4 | CAM | H5 | 109.5° | 109.4° |
| H6 | CAL | H7 | 109.5° | 109.4° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H14 | CAA | H16 | 109.4° | 109.4° |
| H15 | CAA | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAH | CAX | H9 | 180.0° | 180.0° |
| CAH | CAF | CAG | H10 | 180.0° | 180.0° |
| CAF | CAH | CAX | CAJ | 178.5° | 180.0° |
| CAF | CAH | CAX | CAY | 0.5° | 0.0° |
| CAH | CAF | CAG | CAI | 0.5° | 0.1° |
| CAH | CAF | CAG | H11 | 179.5° | 180.0° |
| CAX | CAH | CAF | CAG | 0.7° | 0.0° |
| CAH | CAX | CAJ | CAY | 178.0° | 180.0° |
| CAH | CAX | CAJ | CAR | 179.7° | 180.0° |
| CAH | CAX | CAY | CAI | 0.0° | 0.0° |
| CAH | CAX | CAY | CAK | 176.1° | 180.0° |
| CAH | CAX | CAJ | H8 | 0.3° | 0.0° |
| CAX | CAH | CAF | H10 | 179.3° | 180.0° |
| CAF | CAG | CAI | H11 | 180.0° | 179.9° |
| CAF | CAG | CAI | CAY | 0.0° | 0.1° |
| CAG | CAF | CAH | H9 | 179.3° | 180.0° |
| CAF | CAG | CAI | H12 | 180.0° | 180.0° |
| CAX | CAJ | CAR | H8 | 180.0° | 180.0° |
| CAX | CAJ | CAR | CAL | 174.8° | 179.9° |
| CAX | CAJ | CAR | CAS | 3.2° | 0.2° |
| CAJ | CAX | CAY | CAI | 177.9° | 180.0° |
| CAJ | CAX | CAY | CAK | 1.8° | 0.1° |
| CAJ | CAX | CAH | H9 | 1.5° | 0.0° |
| CAR | CAJ | CAX | CAY | 1.7° | 0.0° |
| CAJ | CAR | CAL | CAS | 177.8° | 179.7° |
| CAJ | CAR | CAL | CAM | 89.2° | 94.7° |
| CAJ | CAR | CAS | CAK | 1.2° | 0.5° |
| CAJ | CAR | CAS | OAP | 177.1° | 179.7° |
| CAJ | CAR | CAL | H6 | 150.4° | 145.3° |
| CAJ | CAR | CAL | H7 | 31.2° | 25.3° |
| CAX | CAY | CAI | CAG | 0.2° | 0.1° |
| CAX | CAY | CAI | CAK | 176.0° | 180.0° |
| CAX | CAY | CAK | CAS | 3.7° | 0.2° |
| CAY | CAX | CAJ | H8 | 178.3° | 180.0° |
| CAY | CAX | CAH | H9 | 179.5° | 180.0° |
| CAX | CAY | CAI | H12 | 179.8° | 179.9° |
| CAX | CAY | CAK | H13 | 176.3° | 180.0° |
| CAR | CAL | CAM | H6 | 120.4° | 120.0° |
| CAR | CAL | CAM | H7 | 120.4° | 120.0° |
| CAL | CAR | CAS | CAK | 176.7° | 179.8° |
| CAL | CAR | CAS | OAP | 5.0° | 0.0° |
| CAR | CAL | CAM | CAU | 63.3° | 180.0° |
| CAR | CAL | CAM | H4 | 176.8° | 60.0° |
| CAR | CAL | CAM | H5 | 56.7° | 60.0° |
| CAR | CAL | H6 | H7 | 118.8° | 120.0° |
| CAL | CAR | CAJ | H8 | 5.2° | 0.0° |
| CAM | CAL | CAR | CAS | 88.7° | 85.0° |
| CAL | CAM | CAU | H4 | 120.0° | 120.1° |
| CAL | CAM | CAU | H5 | 120.0° | 120.0° |
| CAL | CAM | CAU | CAW | 72.2° | 87.7° |
| CAL | CAM | CAU | CAT | 106.8° | 91.8° |
| CAL | CAM | H4 | H5 | 120.1° | 120.0° |
| CAM | CAL | H6 | H7 | 118.8° | 120.0° |
| CAG | CAI | CAY | H12 | 180.0° | 179.8° |
| CAG | CAI | CAY | CAK | 176.3° | 179.9° |
| CAI | CAG | CAF | H10 | 179.6° | 179.9° |
| CAR | CAS | CAK | CAY | 2.3° | 0.5° |
| CAR | CAS | CAK | OAP | 178.0° | 179.8° |
| CAR | CAS | OAP | CAA | 177.0° | 180.0° |
| CAS | CAR | CAL | H6 | 31.8° | 35.0° |
| CAS | CAR | CAL | H7 | 151.0° | 155.0° |
| CAS | CAR | CAJ | H8 | 176.8° | 179.7° |
| CAR | CAS | CAK | H13 | 177.7° | 179.7° |
| CAI | CAY | CAK | CAS | 179.9° | 179.8° |
| CAY | CAI | CAG | H11 | 180.0° | 180.0° |
| CAI | CAY | CAK | H13 | 0.1° | 0.0° |
| CAY | CAK | CAS | H13 | 180.0° | 179.8° |
| CAY | CAK | CAS | OAP | 179.7° | 179.7° |
| CAK | CAY | CAI | H12 | 3.7° | 0.1° |
| CAK | CAS | OAP | CAA | 1.2° | 0.2° |
| OAP | CAS | CAK | H13 | 0.3° | 0.1° |
| CAS | OAP | CAA | H14 | 180.0° | 60.0° |
| CAS | OAP | CAA | H15 | 60.0° | 60.1° |
| CAS | OAP | CAA | H16 | 60.0° | 180.0° |
| OAP | CAA | H14 | H15 | 120.0° | 120.0° |
| OAP | CAA | H14 | H16 | 120.0° | 120.0° |
| OAP | CAA | H15 | H16 | 120.0° | 120.0° |
| CAM | CAU | CAW | OAD | 1.6° | 0.2° |
| CAM | CAU | CAW | CAT | 179.1° | 179.5° |
| CAM | CAU | CAW | NAO | 175.7° | 180.0° |
| CAM | CAU | CAT | CAQ | 0.5° | 0.3° |
| CAM | CAU | CAT | NAN | 179.1° | 180.0° |
| CAU | CAM | H4 | H5 | 120.1° | 120.0° |
| CAU | CAM | CAL | H6 | 57.1° | 60.0° |
| CAU | CAM | CAL | H7 | 176.3° | 60.0° |
| OAD | CAW | CAU | NAO | 177.3° | 179.9° |
| OAD | CAW | CAU | CAT | 179.3° | 179.7° |
| OAD | CAW | NAO | CAV | 177.6° | 180.0° |
| OAD | CAW | NAO | H3 | 2.4° | 0.0° |
| CAW | CAU | CAT | CAQ | 179.5° | 179.9° |
| CAW | CAU | CAT | NAN | 0.1° | 0.5° |
| CAU | CAW | NAO | CAV | 4.9° | 0.2° |
| CAU | CAW | NAO | H3 | 175.2° | 179.8° |
| CAW | CAU | CAM | H4 | 47.7° | 32.3° |
| CAW | CAU | CAM | H5 | 167.8° | 152.3° |
| CAT | CAU | CAW | NAO | 3.4° | 0.4° |
| CAU | CAT | CAQ | NAN | 179.7° | 179.6° |
| CAU | CAT | CAQ | OAE | 53.6° | 6.3° |
| CAU | CAT | CAQ | OAB | 131.8° | 173.8° |
| CAU | CAT | NAN | CAV | 2.5° | 0.3° |
| CAU | CAT | NAN | H2 | 177.4° | 179.7° |
| CAT | CAU | CAM | H4 | 133.3° | 148.1° |
| CAT | CAU | CAM | H5 | 13.2° | 28.2° |
| CAW | NAO | CAV | H3 | 180.0° | 180.0° |
| CAW | NAO | CAV | NAN | 2.4° | 0.0° |
| CAW | NAO | CAV | OAC | 177.1° | 179.9° |
| CAT | CAQ | OAE | OAB | 174.1° | 179.9° |
| CAQ | CAT | NAN | CAV | 177.2° | 180.0° |
| CAT | CAQ | OAB | H1 | 174.3° | 180.0° |
| CAQ | CAT | NAN | H2 | 2.9° | 0.1° |
| NAN | CAT | CAQ | OAE | 126.8° | 174.1° |
| NAN | CAT | CAQ | OAB | 47.9° | 5.9° |
| CAT | NAN | CAV | NAO | 1.3° | 0.0° |
| CAT | NAN | CAV | H2 | 180.0° | 180.0° |
| CAT | NAN | CAV | OAC | 173.4° | 180.0° |
| OAE | CAQ | OAB | H1 | 0.0° | 0.1° |
| NAO | CAV | NAN | OAC | 174.6° | 180.0° |
| NAO | CAV | NAN | H2 | 178.7° | 180.0° |
| NAN | CAV | NAO | H3 | 177.6° | 180.0° |
| OAC | CAV | NAN | H2 | 6.7° | 0.0° |
| OAC | CAV | NAO | H3 | 2.9° | 0.1° |
| H4 | CAM | CAL | H6 | 62.8° | 180.0° |
| H4 | CAM | CAL | H7 | 56.4° | 60.0° |
| H5 | CAM | CAL | H6 | 177.1° | 60.0° |
| H5 | CAM | CAL | H7 | 63.7° | 180.0° |
| H9 | CAH | CAF | H10 | 0.7° | 0.0° |
| H10 | CAF | CAG | H11 | 0.5° | 0.0° |
| H11 | CAG | CAI | H12 | 0.0° | 0.1° |
| H14 | CAA | H15 | H16 | 120.0° | 119.9° |
