W7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAG | doub | 1.36Å | 1.42Å | Aromatic |
| CAH | CAZ | sing | 1.41Å | 1.35Å | Aromatic |
| CAG | CAS | sing | 1.40Å | 1.36Å | Aromatic |
| CAJ | CAZ | doub | 1.41Å | 1.44Å | Aromatic |
| CAJ | CAT | sing | 1.36Å | 1.41Å | Aromatic |
| CAZ | CBA | sing | 1.42Å | 1.38Å | Aromatic |
| CAS | OAP | sing | 1.36Å | 1.36Å | |
| CAS | CAI | doub | 1.37Å | 1.41Å | Aromatic |
| CAT | CAL | sing | 1.51Å | 1.39Å | |
| CAT | CAU | doub | 1.40Å | 1.41Å | Aromatic |
| CAL | CAM | sing | 1.53Å | 1.62Å | |
| OAP | CAA | sing | 1.43Å | 1.45Å | |
| CBA | CAI | sing | 1.40Å | 1.44Å | Aromatic |
| CBA | CAK | doub | 1.41Å | 1.43Å | Aromatic |
| CAU | CAK | sing | 1.37Å | 1.41Å | Aromatic |
| CAU | OAQ | sing | 1.36Å | 1.42Å | |
| OAQ | CAB | sing | 1.43Å | 1.52Å | |
| CAM | CAW | sing | 1.51Å | 1.48Å | |
| OAE | CAY | doub | 1.22Å | 1.20Å | |
| CAW | CAY | sing | 1.47Å | 1.40Å | |
| CAW | CAV | doub | 1.36Å | 1.38Å | |
| CAY | NAO | sing | 1.35Å | 1.41Å | |
| CAV | CAR | sing | 1.48Å | 1.48Å | |
| CAV | NAN | sing | 1.38Å | 1.42Å | |
| OAC | CAR | doub | 1.21Å | 1.28Å | |
| CAR | OAF | sing | 1.35Å | 1.26Å | |
| NAO | CAX | sing | 1.34Å | 1.35Å | |
| NAN | CAX | sing | 1.34Å | 1.40Å | |
| CAX | OAD | doub | 1.22Å | 1.22Å | |
| OAF | 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 | |
| CAJ | H8 | sing | 1.08Å | 1.08Å | |
| CAH | H9 | sing | 1.08Å | 1.08Å | |
| CAG | H10 | sing | 1.08Å | 1.08Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAI | H14 | sing | 1.08Å | 1.08Å | |
| CAK | H15 | sing | 1.08Å | 1.08Å | |
| CAB | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAB | H18 | sing | 1.09Å | 1.10Å | |
| NAN | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAG | CAH | CAZ | 117.4° | 119.7° |
| CAH | CAG | CAS | 125.8° | 121.0° |
| CAG | CAH | H9 | 121.3° | 120.2° |
| CAH | CAG | H10 | 117.1° | 119.6° |
| CAH | CAZ | CAJ | 119.0° | 121.2° |
| CAH | CAZ | CBA | 119.1° | 119.4° |
| CAZ | CAH | H9 | 121.3° | 120.1° |
| CAG | CAS | OAP | 114.9° | 119.6° |
| CAG | CAS | CAI | 117.2° | 120.8° |
| CAS | CAG | H10 | 117.1° | 119.5° |
| CAZ | CAJ | CAT | 120.7° | 119.7° |
| CAJ | CAZ | CBA | 121.9° | 119.4° |
| CAZ | CAJ | H8 | 119.7° | 120.1° |
| CAJ | CAT | CAL | 121.7° | 119.5° |
| CAJ | CAT | CAU | 117.7° | 121.0° |
| CAT | CAJ | H8 | 119.6° | 120.2° |
| CAZ | CBA | CAI | 123.8° | 119.4° |
| CAZ | CBA | CAK | 116.6° | 119.4° |
| OAP | CAS | CAI | 127.8° | 119.6° |
| CAS | OAP | CAA | 111.4° | 117.0° |
| CAS | CAI | CBA | 116.6° | 119.6° |
| CAS | CAI | H14 | 121.7° | 120.2° |
| CAL | CAT | CAU | 120.4° | 119.5° |
| CAT | CAL | CAM | 108.0° | 109.5° |
| CAT | CAL | H6 | 109.8° | 109.5° |
| CAT | CAL | H7 | 109.8° | 109.4° |
| CAT | CAU | CAK | 120.7° | 120.9° |
| CAT | CAU | OAQ | 115.0° | 119.6° |
| CAL | CAM | CAW | 110.9° | 109.4° |
| CAL | CAM | H4 | 109.1° | 109.5° |
| CAL | CAM | H5 | 109.1° | 109.5° |
| CAM | CAL | H6 | 109.8° | 109.5° |
| CAM | CAL | H7 | 109.8° | 109.4° |
| OAP | CAA | H11 | 109.5° | 109.4° |
| OAP | CAA | H12 | 109.5° | 109.5° |
| OAP | CAA | H13 | 109.4° | 109.5° |
| CAI | CBA | CAK | 119.2° | 121.2° |
| CBA | CAI | H14 | 121.7° | 120.2° |
| CBA | CAK | CAU | 121.9° | 119.6° |
| CBA | CAK | H15 | 119.0° | 120.2° |
| CAK | CAU | OAQ | 124.3° | 119.6° |
| CAU | CAK | H15 | 119.1° | 120.2° |
| CAU | OAQ | CAB | 117.7° | 117.0° |
| OAQ | CAB | H16 | 109.5° | 109.5° |
| OAQ | CAB | H17 | 109.5° | 109.4° |
| OAQ | CAB | H18 | 109.5° | 109.4° |
| CAM | CAW | CAY | 120.1° | 120.8° |
| CAM | CAW | CAV | 122.0° | 120.8° |
| CAW | CAM | H4 | 109.1° | 109.5° |
| CAW | CAM | H5 | 109.1° | 109.5° |
| OAE | CAY | CAW | 124.2° | 120.6° |
| OAE | CAY | NAO | 115.6° | 120.6° |
| CAY | CAW | CAV | 117.9° | 118.3° |
| CAW | CAY | NAO | 120.1° | 118.9° |
| CAW | CAV | CAR | 125.9° | 120.2° |
| CAW | CAV | NAN | 120.3° | 119.4° |
| CAY | NAO | CAX | 123.5° | 120.4° |
| CAY | NAO | H2 | 118.2° | 119.8° |
| CAR | CAV | NAN | 113.7° | 120.3° |
| CAV | CAR | OAC | 118.1° | 120.0° |
| CAV | CAR | OAF | 115.9° | 120.0° |
| CAV | NAN | CAX | 122.0° | 121.2° |
| CAV | NAN | H19 | 119.0° | 119.5° |
| OAC | CAR | OAF | 126.0° | 120.0° |
| CAR | OAF | H1 | 109.5° | 117.0° |
| NAO | CAX | NAN | 116.1° | 121.8° |
| NAO | CAX | OAD | 124.0° | 119.1° |
| CAX | NAO | H2 | 118.2° | 119.8° |
| NAN | CAX | OAD | 119.9° | 119.1° |
| CAX | NAN | H19 | 119.0° | 119.4° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H6 | CAL | H7 | 109.5° | 109.5° |
| H11 | CAA | H12 | 109.5° | 109.5° |
| H11 | CAA | H13 | 109.4° | 109.5° |
| H12 | CAA | H13 | 109.5° | 109.5° |
| H16 | CAB | H17 | 109.5° | 109.5° |
| H16 | CAB | H18 | 109.5° | 109.5° |
| H17 | CAB | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAG | CAH | CAZ | H9 | 180.0° | 179.9° |
| CAH | CAG | CAS | H10 | 180.0° | 180.0° |
| CAG | CAH | CAZ | CAJ | 179.3° | 180.0° |
| CAG | CAH | CAZ | CBA | 0.8° | 0.1° |
| CAH | CAG | CAS | OAP | 179.0° | 180.0° |
| CAH | CAG | CAS | CAI | 2.1° | 0.0° |
| CAZ | CAH | CAG | CAS | 2.5° | 0.0° |
| CAH | CAZ | CAJ | CBA | 179.8° | 179.9° |
| CAH | CAZ | CAJ | CAT | 178.9° | 180.0° |
| CAH | CAZ | CBA | CAI | 1.1° | 0.1° |
| CAH | CAZ | CBA | CAK | 173.7° | 180.0° |
| CAH | CAZ | CAJ | H8 | 1.1° | 0.1° |
| CAZ | CAH | CAG | H10 | 177.5° | 180.0° |
| CAG | CAS | OAP | CAI | 176.5° | 179.9° |
| CAG | CAS | OAP | CAA | 166.4° | 0.0° |
| CAG | CAS | CAI | CBA | 0.1° | 0.1° |
| CAS | CAG | CAH | H9 | 177.5° | 180.0° |
| CAG | CAS | CAI | H14 | 179.9° | 180.0° |
| CAZ | CAJ | CAT | H8 | 180.0° | 179.9° |
| CAZ | CAJ | CAT | CAL | 171.6° | 180.0° |
| CAZ | CAJ | CAT | CAU | 3.7° | 0.3° |
| CAJ | CAZ | CBA | CAI | 178.8° | 179.9° |
| CAJ | CAZ | CBA | CAK | 6.1° | 0.1° |
| CAJ | CAZ | CAH | H9 | 0.7° | 0.1° |
| CAT | CAJ | CAZ | CBA | 0.9° | 0.1° |
| CAJ | CAT | CAL | CAU | 175.2° | 179.7° |
| CAJ | CAT | CAL | CAM | 90.5° | 94.7° |
| CAJ | CAT | CAU | CAK | 2.9° | 0.6° |
| CAJ | CAT | CAU | OAQ | 177.7° | 179.7° |
| CAJ | CAT | CAL | H6 | 149.7° | 145.3° |
| CAJ | CAT | CAL | H7 | 29.3° | 25.3° |
| CAZ | CBA | CAI | CAS | 1.5° | 0.0° |
| CAZ | CBA | CAI | CAK | 172.5° | 179.9° |
| CAZ | CBA | CAK | CAU | 7.0° | 0.4° |
| CBA | CAZ | CAJ | H8 | 179.1° | 180.0° |
| CBA | CAZ | CAH | H9 | 179.2° | 180.0° |
| CAZ | CBA | CAI | H14 | 178.6° | 180.0° |
| CAZ | CBA | CAK | H15 | 173.0° | 180.0° |
| OAP | CAS | CAI | CBA | 176.5° | 180.0° |
| OAP | CAS | CAG | H10 | 1.0° | 0.0° |
| CAS | OAP | CAA | H11 | 180.0° | 180.0° |
| CAS | OAP | CAA | H12 | 60.0° | 60.0° |
| CAS | OAP | CAA | H13 | 60.0° | 60.0° |
| OAP | CAS | CAI | H14 | 3.4° | 0.0° |
| CAI | CAS | OAP | CAA | 17.1° | 180.0° |
| CAS | CAI | CBA | H14 | 180.0° | 180.0° |
| CAS | CAI | CBA | CAK | 173.9° | 179.9° |
| CAI | CAS | CAG | H10 | 178.0° | 180.0° |
| CAT | CAL | CAM | H6 | 119.8° | 120.0° |
| CAT | CAL | CAM | H7 | 119.8° | 119.9° |
| CAL | CAT | CAU | CAK | 172.5° | 179.7° |
| CAL | CAT | CAU | OAQ | 6.9° | 0.0° |
| CAT | CAL | CAM | CAW | 71.8° | 180.0° |
| CAT | CAL | CAM | H4 | 168.0° | 60.0° |
| CAT | CAL | CAM | H5 | 48.5° | 60.0° |
| CAT | CAL | H6 | H7 | 120.7° | 120.0° |
| CAL | CAT | CAJ | H8 | 8.4° | 0.1° |
| CAU | CAT | CAL | CAM | 84.7° | 85.0° |
| CAT | CAU | CAK | CBA | 2.6° | 0.6° |
| CAT | CAU | CAK | OAQ | 179.3° | 179.7° |
| CAT | CAU | OAQ | CAB | 172.0° | 180.0° |
| CAU | CAT | CAL | H6 | 35.1° | 35.0° |
| CAU | CAT | CAL | H7 | 155.5° | 155.0° |
| CAU | CAT | CAJ | H8 | 176.3° | 179.8° |
| CAT | CAU | CAK | H15 | 177.4° | 179.8° |
| CAL | CAM | CAW | H4 | 120.2° | 120.0° |
| CAL | CAM | CAW | H5 | 120.2° | 120.0° |
| CAL | CAM | CAW | CAY | 66.1° | 87.7° |
| CAL | CAM | CAW | CAV | 111.4° | 91.9° |
| CAL | CAM | H4 | H5 | 119.3° | 120.0° |
| CAM | CAL | H6 | H7 | 120.6° | 120.0° |
| OAP | CAA | H11 | H12 | 120.0° | 120.0° |
| OAP | CAA | H11 | H13 | 120.0° | 120.0° |
| OAP | CAA | H12 | H13 | 120.0° | 120.0° |
| CAI | CBA | CAK | CAU | 180.0° | 179.7° |
| CAI | CBA | CAK | H15 | 0.0° | 0.1° |
| CBA | CAK | CAU | H15 | 180.0° | 179.6° |
| CBA | CAK | CAU | OAQ | 176.8° | 179.7° |
| CAK | CBA | CAI | H14 | 6.1° | 0.0° |
| CAK | CAU | OAQ | CAB | 8.6° | 0.3° |
| OAQ | CAU | CAK | H15 | 3.2° | 0.0° |
| CAU | OAQ | CAB | H16 | 180.0° | 179.9° |
| CAU | OAQ | CAB | H17 | 60.0° | 60.0° |
| CAU | OAQ | CAB | H18 | 60.0° | 60.0° |
| OAQ | CAB | H16 | H17 | 120.0° | 119.9° |
| OAQ | CAB | H16 | H18 | 120.0° | 120.0° |
| OAQ | CAB | H17 | H18 | 120.0° | 119.9° |
| CAM | CAW | CAY | OAE | 7.2° | 0.1° |
| CAM | CAW | CAY | CAV | 177.6° | 179.6° |
| CAM | CAW | CAY | NAO | 176.4° | 180.0° |
| CAM | CAW | CAV | CAR | 0.2° | 0.2° |
| CAM | CAW | CAV | NAN | 176.4° | 179.9° |
| CAW | CAM | H4 | H5 | 119.4° | 120.0° |
| CAW | CAM | CAL | H6 | 48.0° | 60.0° |
| CAW | CAM | CAL | H7 | 168.4° | 60.0° |
| OAE | CAY | CAW | NAO | 176.4° | 179.8° |
| OAE | CAY | CAW | CAV | 175.2° | 179.7° |
| OAE | CAY | NAO | CAX | 177.1° | 180.0° |
| OAE | CAY | NAO | H2 | 2.9° | 0.1° |
| CAY | CAW | CAV | CAR | 177.4° | 179.8° |
| CAY | CAW | CAV | NAN | 1.2° | 0.5° |
| CAW | CAY | NAO | CAX | 0.4° | 0.2° |
| CAW | CAY | NAO | H2 | 179.6° | 179.8° |
| CAY | CAW | CAM | H4 | 54.1° | 32.3° |
| CAY | CAW | CAM | H5 | 173.7° | 152.3° |
| CAV | CAW | CAY | NAO | 1.2° | 0.4° |
| CAW | CAV | CAR | NAN | 176.4° | 179.7° |
| CAW | CAV | CAR | OAC | 51.2° | 6.3° |
| CAW | CAV | CAR | OAF | 131.7° | 173.5° |
| CAW | CAV | NAN | CAX | 0.3° | 0.3° |
| CAV | CAW | CAM | H4 | 128.4° | 148.1° |
| CAV | CAW | CAM | H5 | 8.8° | 28.1° |
| CAW | CAV | NAN | H19 | 179.7° | 179.8° |
| CAY | NAO | CAX | H2 | 180.0° | 180.0° |
| CAY | NAO | CAX | NAN | 1.9° | 0.0° |
| CAY | NAO | CAX | OAD | 178.1° | 179.9° |
| CAV | CAR | OAC | OAF | 176.7° | 179.8° |
| CAR | CAV | NAN | CAX | 176.3° | 180.0° |
| CAV | CAR | OAF | H1 | 176.7° | 179.7° |
| CAR | CAV | NAN | H19 | 3.7° | 0.1° |
| NAN | CAV | CAR | OAC | 132.3° | 174.0° |
| NAN | CAV | CAR | OAF | 44.7° | 6.2° |
| CAV | NAN | CAX | NAO | 1.8° | 0.1° |
| CAV | NAN | CAX | H19 | 180.0° | 179.9° |
| CAV | NAN | CAX | OAD | 178.1° | 180.0° |
| OAC | CAR | OAF | H1 | 0.0° | 0.1° |
| NAO | CAX | NAN | OAD | 179.9° | 179.9° |
| NAO | CAX | NAN | H19 | 178.1° | 179.9° |
| NAN | CAX | NAO | H2 | 178.1° | 180.0° |
| OAD | CAX | NAO | H2 | 1.9° | 0.0° |
| OAD | CAX | NAN | H19 | 1.9° | 0.1° |
| H4 | CAM | CAL | H6 | 72.2° | NaN° |
| H4 | CAM | CAL | H7 | 48.2° | 60.0° |
| H5 | CAM | CAL | H6 | 168.2° | 60.0° |
| H5 | CAM | CAL | H7 | 71.3° | 180.0° |
| H9 | CAH | CAG | H10 | 2.5° | 0.0° |
| H11 | CAA | H12 | H13 | 120.0° | 120.0° |
| H16 | CAB | H17 | H18 | 120.0° | 120.1° |
