W7H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAI | CAF | doub | 1.36Å | 1.39Å | Aromatic |
| CAI | CAW | sing | 1.41Å | 1.40Å | Aromatic |
| CAF | CAE | sing | 1.39Å | 1.39Å | Aromatic |
| CAE | CAH | doub | 1.36Å | 1.39Å | Aromatic |
| CAW | CAK | doub | 1.40Å | 1.44Å | Aromatic |
| CAW | CAV | sing | 1.42Å | 1.40Å | Aromatic |
| CAK | CAQ | sing | 1.36Å | 1.40Å | Aromatic |
| CAH | CAV | sing | 1.41Å | 1.43Å | Aromatic |
| CAV | CAJ | doub | 1.41Å | 1.39Å | Aromatic |
| CAQ | CAL | sing | 1.51Å | 1.43Å | |
| CAQ | CAG | doub | 1.39Å | 1.41Å | Aromatic |
| CAL | CAM | sing | 1.53Å | 1.61Å | |
| CAJ | CAG | sing | 1.36Å | 1.40Å | Aromatic |
| CAM | CAR | sing | 1.51Å | 1.40Å | |
| OAC | CAU | doub | 1.22Å | 1.25Å | |
| CAR | CAU | sing | 1.47Å | 1.43Å | |
| CAR | CAS | doub | 1.36Å | 1.35Å | |
| CAU | NAO | sing | 1.35Å | 1.41Å | |
| OAD | CAP | doub | 1.21Å | 1.23Å | |
| CAS | CAP | sing | 1.48Å | 1.50Å | |
| CAS | NAN | sing | 1.38Å | 1.42Å | |
| CAP | OAA | sing | 1.35Å | 1.24Å | |
| NAO | CAT | sing | 1.34Å | 1.37Å | |
| NAN | CAT | sing | 1.34Å | 1.37Å | |
| CAT | OAB | doub | 1.22Å | 1.23Å | |
| OAA | 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 | |
| CAK | H8 | sing | 1.08Å | 1.08Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| CAF | H10 | sing | 1.08Å | 1.08Å | |
| CAE | H11 | sing | 1.08Å | 1.08Å | |
| CAH | H12 | sing | 1.08Å | 1.08Å | |
| CAJ | H13 | sing | 1.08Å | 1.08Å | |
| CAG | H14 | sing | 1.08Å | 1.08Å | |
| NAN | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAF | CAI | CAW | 119.9° | 119.6° |
| CAI | CAF | CAE | 123.2° | 121.0° |
| CAF | CAI | H9 | 120.1° | 120.2° |
| CAI | CAF | H10 | 118.4° | 119.5° |
| CAI | CAW | CAK | 120.3° | 121.3° |
| CAI | CAW | CAV | 117.5° | 119.3° |
| CAW | CAI | H9 | 120.1° | 120.2° |
| CAF | CAE | CAH | 118.0° | 120.9° |
| CAE | CAF | H10 | 118.4° | 119.5° |
| CAF | CAE | H11 | 121.0° | 119.5° |
| CAE | CAH | CAV | 118.7° | 119.7° |
| CAH | CAE | H11 | 121.0° | 119.6° |
| CAE | CAH | H12 | 120.6° | 120.1° |
| CAK | CAW | CAV | 122.1° | 119.4° |
| CAW | CAK | CAQ | 119.0° | 119.7° |
| CAW | CAK | H8 | 120.5° | 120.2° |
| CAW | CAV | CAH | 122.5° | 119.4° |
| CAW | CAV | CAJ | 117.7° | 119.4° |
| CAK | CAQ | CAL | 121.9° | 119.5° |
| CAK | CAQ | CAG | 118.0° | 121.0° |
| CAQ | CAK | H8 | 120.5° | 120.2° |
| CAH | CAV | CAJ | 119.8° | 121.3° |
| CAV | CAH | H12 | 120.7° | 120.2° |
| CAV | CAJ | CAG | 121.0° | 119.6° |
| CAV | CAJ | H13 | 119.5° | 120.2° |
| CAL | CAQ | CAG | 120.1° | 119.5° |
| CAQ | CAL | CAM | 109.5° | 109.5° |
| CAQ | CAL | H6 | 109.5° | 109.4° |
| CAQ | CAL | H7 | 109.4° | 109.5° |
| CAQ | CAG | CAJ | 122.0° | 121.0° |
| CAQ | CAG | H14 | 119.0° | 119.5° |
| CAL | CAM | CAR | 110.8° | 109.5° |
| CAL | CAM | H4 | 109.1° | 109.4° |
| CAL | CAM | H5 | 109.1° | 109.5° |
| CAM | CAL | H6 | 109.4° | 109.5° |
| CAM | CAL | H7 | 109.5° | 109.5° |
| CAG | CAJ | H13 | 119.5° | 120.2° |
| CAJ | CAG | H14 | 119.0° | 119.4° |
| CAM | CAR | CAU | 118.4° | 120.8° |
| CAM | CAR | CAS | 122.2° | 120.8° |
| CAR | CAM | H4 | 109.1° | 109.5° |
| CAR | CAM | H5 | 109.1° | 109.5° |
| OAC | CAU | CAR | 122.4° | 120.6° |
| OAC | CAU | NAO | 121.0° | 120.6° |
| CAU | CAR | CAS | 119.2° | 118.4° |
| CAR | CAU | NAO | 115.7° | 118.8° |
| CAR | CAS | CAP | 125.7° | 120.3° |
| CAR | CAS | NAN | 121.6° | 119.4° |
| CAU | NAO | CAT | 125.7° | 120.4° |
| CAU | NAO | H2 | 117.2° | 119.8° |
| OAD | CAP | CAS | 120.0° | 120.0° |
| OAD | CAP | OAA | 124.2° | 120.0° |
| CAP | CAS | NAN | 112.4° | 120.3° |
| CAS | CAP | OAA | 115.8° | 120.0° |
| CAS | NAN | CAT | 121.2° | 121.2° |
| CAS | NAN | H15 | 119.5° | 119.4° |
| CAP | OAA | H1 | 109.5° | 117.0° |
| NAO | CAT | NAN | 116.0° | 121.8° |
| NAO | CAT | OAB | 124.0° | 119.1° |
| CAT | NAO | H2 | 117.1° | 119.8° |
| NAN | CAT | OAB | 119.8° | 119.1° |
| CAT | NAN | H15 | 119.4° | 119.4° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H6 | CAL | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAF | CAI | CAW | H9 | 180.0° | 179.9° |
| CAI | CAF | CAE | H10 | 180.0° | 179.9° |
| CAI | CAF | CAE | CAH | 0.0° | 0.1° |
| CAF | CAI | CAW | CAK | 178.2° | 180.0° |
| CAF | CAI | CAW | CAV | 1.9° | 0.1° |
| CAI | CAF | CAE | H11 | 180.0° | 179.9° |
| CAW | CAI | CAF | CAE | 2.5° | 0.1° |
| CAI | CAW | CAK | CAV | 179.9° | 179.9° |
| CAI | CAW | CAK | CAQ | 179.3° | 180.0° |
| CAI | CAW | CAV | CAH | 1.2° | 0.0° |
| CAI | CAW | CAV | CAJ | 179.0° | 180.0° |
| CAI | CAW | CAK | H8 | 0.7° | 0.0° |
| CAW | CAI | CAF | H10 | 177.4° | 180.0° |
| CAF | CAE | CAH | H11 | 180.0° | 180.0° |
| CAF | CAE | CAH | CAV | 3.1° | 0.0° |
| CAE | CAF | CAI | H9 | 177.5° | 180.0° |
| CAF | CAE | CAH | H12 | 176.9° | 179.9° |
| CAE | CAH | CAV | CAW | 3.8° | 0.0° |
| CAE | CAH | CAV | H12 | 180.0° | 180.0° |
| CAE | CAH | CAV | CAJ | 178.5° | 179.9° |
| CAH | CAE | CAF | H10 | 180.0° | 179.9° |
| CAW | CAK | CAQ | H8 | 180.0° | 180.0° |
| CAK | CAW | CAV | CAH | 178.7° | 179.9° |
| CAK | CAW | CAV | CAJ | 0.9° | 0.1° |
| CAW | CAK | CAQ | CAL | 178.0° | 179.9° |
| CAW | CAK | CAQ | CAG | 2.6° | 0.2° |
| CAK | CAW | CAI | H9 | 1.8° | 0.1° |
| CAV | CAW | CAK | CAQ | 0.8° | 0.1° |
| CAW | CAV | CAH | CAJ | 177.7° | 180.0° |
| CAW | CAV | CAJ | CAG | 0.7° | 0.2° |
| CAV | CAW | CAK | H8 | 179.2° | 179.9° |
| CAV | CAW | CAI | H9 | 178.1° | 180.0° |
| CAW | CAV | CAH | H12 | 176.2° | 179.9° |
| CAW | CAV | CAJ | H13 | 179.4° | 180.0° |
| CAK | CAQ | CAL | CAG | 179.3° | 179.7° |
| CAK | CAQ | CAL | CAM | 99.8° | 89.7° |
| CAK | CAQ | CAG | CAJ | 2.9° | 0.5° |
| CAK | CAQ | CAL | H6 | 140.2° | 150.2° |
| CAK | CAQ | CAL | H7 | 20.2° | 30.4° |
| CAK | CAQ | CAG | H14 | 177.1° | 179.7° |
| CAH | CAV | CAJ | CAG | 178.5° | 179.8° |
| CAV | CAH | CAE | H11 | 176.9° | 180.0° |
| CAH | CAV | CAJ | H13 | 1.5° | 0.0° |
| CAV | CAJ | CAG | CAQ | 1.2° | 0.5° |
| CAV | CAJ | CAG | H13 | 180.0° | 179.8° |
| CAJ | CAV | CAH | H12 | 1.5° | 0.1° |
| CAV | CAJ | CAG | H14 | 178.8° | 179.8° |
| CAQ | CAL | CAM | H6 | 120.0° | 120.0° |
| CAQ | CAL | CAM | H7 | 120.0° | 120.1° |
| CAL | CAQ | CAG | CAJ | 177.7° | 179.8° |
| CAQ | CAL | CAM | CAR | 81.4° | 180.0° |
| CAQ | CAL | CAM | H4 | 158.4° | 60.0° |
| CAQ | CAL | CAM | H5 | 38.8° | 60.0° |
| CAQ | CAL | H6 | H7 | 120.0° | 119.9° |
| CAL | CAQ | CAK | H8 | 2.0° | 0.1° |
| CAL | CAQ | CAG | H14 | 2.3° | 0.1° |
| CAG | CAQ | CAL | CAM | 80.8° | 90.0° |
| CAQ | CAG | CAJ | H14 | 180.0° | 179.7° |
| CAG | CAQ | CAL | H6 | 39.2° | 30.1° |
| CAG | CAQ | CAL | H7 | 159.2° | 149.9° |
| CAG | CAQ | CAK | H8 | 177.4° | 179.8° |
| CAQ | CAG | CAJ | H13 | 178.7° | 179.7° |
| CAL | CAM | CAR | H4 | 120.2° | 120.0° |
| CAL | CAM | CAR | H5 | 120.2° | 120.0° |
| CAL | CAM | CAR | CAU | 68.7° | 88.2° |
| CAL | CAM | CAR | CAS | 106.3° | 91.4° |
| CAL | CAM | H4 | H5 | 119.4° | 120.0° |
| CAM | CAL | H6 | H7 | 120.0° | 120.0° |
| CAM | CAR | CAU | OAC | 9.4° | 0.3° |
| CAM | CAR | CAU | CAS | 175.2° | 179.6° |
| CAM | CAR | CAU | NAO | 179.1° | 180.0° |
| CAM | CAR | CAS | CAP | 0.5° | 0.2° |
| CAM | CAR | CAS | NAN | 174.6° | 180.0° |
| CAR | CAM | H4 | H5 | 119.4° | 120.0° |
| CAR | CAM | CAL | H6 | 38.6° | 60.0° |
| CAR | CAM | CAL | H7 | 158.6° | 60.0° |
| OAC | CAU | CAR | NAO | 169.7° | 179.7° |
| OAC | CAU | CAR | CAS | 175.4° | 179.8° |
| OAC | CAU | NAO | CAT | 178.4° | 179.9° |
| OAC | CAU | NAO | H2 | 1.6° | 0.1° |
| CAU | CAR | CAS | CAP | 174.5° | 179.8° |
| CAU | CAR | CAS | NAN | 0.5° | 0.4° |
| CAR | CAU | NAO | CAT | 8.5° | 0.2° |
| CAR | CAU | NAO | H2 | 171.5° | 179.8° |
| CAU | CAR | CAM | H4 | 51.5° | 31.8° |
| CAU | CAR | CAM | H5 | 171.1° | 151.8° |
| CAS | CAR | CAU | NAO | 5.7° | 0.5° |
| CAR | CAS | CAP | OAD | 50.4° | 6.3° |
| CAR | CAS | CAP | NAN | 174.5° | 179.7° |
| CAR | CAS | CAP | OAA | 129.9° | 173.7° |
| CAR | CAS | NAN | CAT | 5.0° | 0.2° |
| CAS | CAR | CAM | H4 | 133.4° | 148.6° |
| CAS | CAR | CAM | H5 | 13.8° | 28.6° |
| CAR | CAS | NAN | H15 | 175.0° | 179.8° |
| CAU | NAO | CAT | H2 | 180.0° | 180.0° |
| CAU | NAO | CAT | NAN | 4.3° | 0.0° |
| CAU | NAO | CAT | OAB | 170.4° | 180.0° |
| OAD | CAP | CAS | OAA | 179.7° | 179.9° |
| OAD | CAP | CAS | NAN | 135.1° | 173.9° |
| OAD | CAP | OAA | H1 | 0.0° | 0.0° |
| CAP | CAS | NAN | CAT | 179.7° | 179.9° |
| CAS | CAP | OAA | H1 | 179.6° | 180.0° |
| CAP | CAS | NAN | H15 | 0.3° | 0.0° |
| NAN | CAS | CAP | OAA | 44.6° | 6.0° |
| CAS | NAN | CAT | NAO | 2.6° | 0.0° |
| CAS | NAN | CAT | H15 | 180.0° | 180.0° |
| CAS | NAN | CAT | OAB | 177.5° | 180.0° |
| NAO | CAT | NAN | OAB | 175.0° | 179.9° |
| NAO | CAT | NAN | H15 | 177.4° | 180.0° |
| NAN | CAT | NAO | H2 | 175.7° | 179.9° |
| OAB | CAT | NAO | H2 | 9.6° | 0.0° |
| OAB | CAT | NAN | H15 | 2.5° | 0.0° |
| H4 | CAM | CAL | H6 | 81.6° | 180.0° |
| H4 | CAM | CAL | H7 | 38.4° | 60.0° |
| H5 | CAM | CAL | H6 | 158.8° | 60.0° |
| H5 | CAM | CAL | H7 | 81.2° | 180.0° |
| H9 | CAI | CAF | H10 | 2.6° | 0.1° |
| H10 | CAF | CAE | H11 | 0.0° | 0.0° |
| H11 | CAE | CAH | H12 | 3.1° | 0.0° |
| H13 | CAJ | CAG | H14 | 1.3° | 0.0° |
