DWY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.38Å | 1.40Å | Aromatic |
| CAA | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAB | CLN | sing | 1.74Å | 1.74Å | |
| CAB | CAC | sing | 1.39Å | 1.40Å | Aromatic |
| CAC | CLM | sing | 1.74Å | 1.80Å | |
| CAC | CAD | doub | 1.39Å | 1.39Å | Aromatic |
| CAD | CAE | sing | 1.38Å | 1.40Å | Aromatic |
| CAE | CAF | doub | 1.40Å | 1.40Å | Aromatic |
| CAF | CAG | sing | 1.47Å | 1.42Å | |
| CAG | CAH | doub | 1.36Å | 1.34Å | |
| CAH | SAI | sing | 1.78Å | 1.78Å | |
| CAH | CAL | sing | 1.47Å | 1.36Å | |
| SAI | CAJ | sing | 1.77Å | 1.68Å | |
| CAL | OAO | doub | 1.22Å | 1.23Å | |
| CAL | NAK | sing | 1.31Å | 1.35Å | |
| NAK | CAJ | doub | 1.31Å | 1.35Å | |
| CAJ | NAP | sing | 1.37Å | 1.35Å | |
| NAP | CAU | sing | 1.47Å | 1.48Å | |
| NAP | CAQ | sing | 1.47Å | 1.46Å | |
| CAU | CAT | sing | 1.53Å | 1.54Å | |
| CAT | NAS | sing | 1.47Å | 1.49Å | |
| CAQ | CAR | sing | 1.53Å | 1.49Å | |
| CAR | NAS | sing | 1.47Å | 1.48Å | |
| NAS | CAV | sing | 1.47Å | 1.50Å | |
| CAV | CBB | sing | 1.51Å | 1.42Å | |
| CBB | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CBB | CBA | sing | 1.38Å | 1.40Å | Aromatic |
| CAW | CAX | sing | 1.38Å | 1.37Å | Aromatic |
| CAX | CAY | doub | 1.39Å | 1.37Å | Aromatic |
| CAY | CAZ | sing | 1.39Å | 1.40Å | Aromatic |
| BBC | OBE | sing | 1.42Å | 1.51Å | |
| BBC | OBD | sing | 1.42Å | 1.55Å | |
| CAZ | CBA | doub | 1.38Å | 1.41Å | Aromatic |
| CAY | BBC | sing | 1.57Å | 1.85Å | |
| CAA | H1 | sing | 1.08Å | 1.08Å | |
| CAD | H2 | sing | 1.08Å | 1.08Å | |
| CAE | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.08Å | 1.08Å | |
| CAU | H6 | sing | 1.09Å | 1.10Å | |
| CAU | H7 | sing | 1.09Å | 1.10Å | |
| CAT | H8 | sing | 1.09Å | 1.10Å | |
| CAT | H9 | sing | 1.09Å | 1.10Å | |
| CAQ | H10 | sing | 1.09Å | 1.10Å | |
| CAQ | H11 | sing | 1.09Å | 1.10Å | |
| CAR | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.09Å | 1.10Å | |
| CAV | H15 | sing | 1.09Å | 1.10Å | |
| CAV | H16 | sing | 1.09Å | 1.10Å | |
| CAW | H17 | sing | 1.08Å | 1.08Å | |
| CAX | H18 | sing | 1.08Å | 1.08Å | |
| OBE | H19 | sing | 0.97Å | 0.95Å | |
| OBD | H20 | sing | 0.97Å | 0.95Å | |
| CAZ | H21 | sing | 1.08Å | 1.08Å | |
| CBA | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 119.7° | 119.8° |
| CAA | CAB | CLN | 119.9° | 119.9° |
| CAA | CAB | CAC | 120.0° | 120.1° |
| CAB | CAA | H1 | 120.2° | 120.1° |
| CAA | CAF | CAE | 119.9° | 119.7° |
| CAA | CAF | CAG | 127.0° | 120.1° |
| CAF | CAA | H1 | 120.1° | 120.1° |
| CLN | CAB | CAC | 120.1° | 120.0° |
| CAB | CAC | CLM | 120.4° | 119.8° |
| CAB | CAC | CAD | 119.7° | 120.4° |
| CLM | CAC | CAD | 119.8° | 119.8° |
| CAC | CAD | CAE | 120.0° | 120.2° |
| CAC | CAD | H2 | 120.0° | 119.9° |
| CAD | CAE | CAF | 119.8° | 119.8° |
| CAE | CAD | H2 | 119.9° | 119.9° |
| CAD | CAE | H3 | 120.1° | 120.1° |
| CAE | CAF | CAG | 111.5° | 120.2° |
| CAF | CAE | H3 | 120.1° | 120.1° |
| CAF | CAG | CAH | 127.8° | 120.0° |
| CAF | CAG | H4 | 116.1° | 120.0° |
| CAG | CAH | SAI | 127.5° | 128.2° |
| CAG | CAH | CAL | 124.7° | 128.2° |
| CAH | CAG | H4 | 116.1° | 120.0° |
| SAI | CAH | CAL | 105.6° | 103.6° |
| CAH | SAI | CAJ | 92.2° | 94.3° |
| CAH | CAL | OAO | 123.7° | 122.7° |
| CAH | CAL | NAK | 117.0° | 114.7° |
| SAI | CAJ | NAK | 111.6° | 107.0° |
| SAI | CAJ | NAP | 125.8° | 126.4° |
| OAO | CAL | NAK | 118.9° | 122.7° |
| CAL | NAK | CAJ | 113.0° | 120.4° |
| NAK | CAJ | NAP | 121.8° | 126.5° |
| CAJ | NAP | CAU | 125.9° | 120.9° |
| CAJ | NAP | CAQ | 119.7° | 120.9° |
| CAU | NAP | CAQ | 113.1° | 118.2° |
| NAP | CAU | CAT | 109.5° | 108.5° |
| NAP | CAU | H6 | 109.5° | 109.7° |
| NAP | CAU | H7 | 109.4° | 109.6° |
| NAP | CAQ | CAR | 108.3° | 108.5° |
| NAP | CAQ | H10 | 109.8° | 109.6° |
| NAP | CAQ | H11 | 109.8° | 109.7° |
| CAU | CAT | NAS | 112.3° | 109.3° |
| CAT | CAU | H6 | 109.5° | 109.6° |
| CAT | CAU | H7 | 109.5° | 109.6° |
| CAU | CAT | H8 | 108.8° | 109.5° |
| CAU | CAT | H9 | 108.8° | 109.5° |
| CAT | NAS | CAR | 101.9° | 111.1° |
| CAT | NAS | CAV | 109.3° | 111.0° |
| NAS | CAT | H8 | 108.7° | 109.4° |
| NAS | CAT | H9 | 108.7° | 109.6° |
| CAQ | CAR | NAS | 116.6° | 109.4° |
| CAR | CAQ | H10 | 109.8° | 109.6° |
| CAR | CAQ | H11 | 109.8° | 109.7° |
| CAQ | CAR | H12 | 107.6° | 109.5° |
| CAQ | CAR | H13 | 107.7° | 109.5° |
| CAR | NAS | CAV | 112.9° | 110.9° |
| NAS | CAR | H12 | 107.7° | 109.6° |
| NAS | CAR | H13 | 107.6° | 109.4° |
| NAS | CAV | CBB | 110.7° | 109.4° |
| NAS | CAV | H15 | 109.1° | 109.5° |
| NAS | CAV | H16 | 109.2° | 109.5° |
| CAV | CBB | CAW | 113.2° | 119.9° |
| CAV | CBB | CBA | 125.0° | 119.9° |
| CBB | CAV | H15 | 109.2° | 109.5° |
| CBB | CAV | H16 | 109.2° | 109.5° |
| CAW | CBB | CBA | 121.8° | 120.3° |
| CBB | CAW | CAX | 121.3° | 120.1° |
| CBB | CAW | H17 | 119.4° | 120.0° |
| CBB | CBA | CAZ | 117.4° | 120.1° |
| CBB | CBA | H22 | 121.3° | 119.9° |
| CAW | CAX | CAY | 117.2° | 119.9° |
| CAX | CAW | H17 | 119.4° | 119.9° |
| CAW | CAX | H18 | 121.4° | 120.1° |
| CAX | CAY | CAZ | 123.9° | 119.7° |
| CAX | CAY | BBC | 111.7° | 120.1° |
| CAY | CAX | H18 | 121.4° | 120.1° |
| CAY | CAZ | CBA | 118.4° | 119.9° |
| CAZ | CAY | BBC | 124.1° | 120.1° |
| CAY | CAZ | H21 | 120.8° | 120.1° |
| OBE | BBC | OBD | 124.2° | 120.0° |
| OBE | BBC | CAY | 114.6° | 120.0° |
| BBC | OBE | H19 | 109.5° | 114.0° |
| OBD | BBC | CAY | 114.3° | 120.0° |
| BBC | OBD | H20 | 109.5° | 114.0° |
| CBA | CAZ | H21 | 120.8° | 120.0° |
| CAZ | CBA | H22 | 121.3° | 120.0° |
| H6 | CAU | H7 | 109.4° | 109.8° |
| H8 | CAT | H9 | 109.5° | 109.5° |
| H10 | CAQ | H11 | 109.4° | 109.8° |
| H12 | CAR | H13 | 109.5° | 109.4° |
| H15 | CAV | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | H1 | 180.0° | 179.7° |
| CAA | CAB | CLN | CAC | 179.8° | 180.0° |
| CAA | CAB | CAC | CLM | 177.4° | 180.0° |
| CAA | CAB | CAC | CAD | 1.5° | 0.0° |
| CAB | CAA | CAF | CAE | 11.1° | 0.0° |
| CAB | CAA | CAF | CAG | 175.6° | 179.9° |
| CAF | CAA | CAB | CLN | 172.7° | 180.0° |
| CAF | CAA | CAB | CAC | 7.6° | 0.0° |
| CAA | CAF | CAE | CAD | 8.5° | 0.0° |
| CAA | CAF | CAE | CAG | 166.7° | 180.0° |
| CAA | CAF | CAG | CAH | 18.0° | 159.4° |
| CAA | CAF | CAE | H3 | 171.5° | 180.0° |
| CAA | CAF | CAG | H4 | 162.0° | 20.6° |
| CLN | CAB | CAC | CLM | 2.4° | 0.0° |
| CLN | CAB | CAC | CAD | 178.7° | 180.0° |
| CLN | CAB | CAA | H1 | 7.4° | 0.3° |
| CAB | CAC | CLM | CAD | 178.9° | 180.0° |
| CAB | CAC | CAD | CAE | 1.1° | 0.0° |
| CAC | CAB | CAA | H1 | 172.4° | 179.7° |
| CAB | CAC | CAD | H2 | 179.0° | 180.0° |
| CLM | CAC | CAD | CAE | 180.0° | 180.0° |
| CLM | CAC | CAD | H2 | 0.1° | 0.0° |
| CAC | CAD | CAE | H2 | 180.0° | 180.0° |
| CAC | CAD | CAE | CAF | 2.4° | 0.0° |
| CAC | CAD | CAE | H3 | 177.6° | 180.0° |
| CAD | CAE | CAF | H3 | 180.0° | 180.0° |
| CAD | CAE | CAF | CAG | 175.2° | 180.0° |
| CAE | CAF | CAG | CAH | 147.6° | 20.6° |
| CAE | CAF | CAA | H1 | 168.9° | 179.7° |
| CAF | CAE | CAD | H2 | 177.6° | 180.0° |
| CAE | CAF | CAG | H4 | 32.4° | 159.4° |
| CAF | CAG | CAH | H4 | 180.0° | 180.0° |
| CAF | CAG | CAH | SAI | 25.8° | 7.3° |
| CAF | CAG | CAH | CAL | 173.7° | 172.5° |
| CAG | CAF | CAA | H1 | 4.4° | 0.3° |
| CAG | CAF | CAE | H3 | 4.8° | 0.0° |
| CAG | CAH | SAI | CAL | 163.4° | 179.8° |
| CAG | CAH | SAI | CAJ | 170.6° | 180.0° |
| CAG | CAH | CAL | OAO | 15.5° | 0.0° |
| CAG | CAH | CAL | NAK | 172.0° | 180.0° |
| SAI | CAH | CAL | OAO | 179.5° | 179.8° |
| SAI | CAH | CAL | NAK | 8.0° | 0.2° |
| CAH | SAI | CAJ | NAK | 5.2° | 0.2° |
| CAH | SAI | CAJ | NAP | 175.5° | 180.0° |
| SAI | CAH | CAG | H4 | 154.2° | 172.7° |
| CAL | CAH | SAI | CAJ | 7.3° | 0.2° |
| CAH | CAL | OAO | NAK | 172.4° | 180.0° |
| CAH | CAL | NAK | CAJ | 4.6° | 0.1° |
| CAL | CAH | CAG | H4 | 6.3° | 7.5° |
| SAI | CAJ | NAK | CAL | 1.6° | 0.0° |
| SAI | CAJ | NAK | NAP | 170.7° | 179.8° |
| SAI | CAJ | NAP | CAU | 165.9° | 180.0° |
| SAI | CAJ | NAP | CAQ | 0.2° | 0.2° |
| OAO | CAL | NAK | CAJ | 177.5° | 179.9° |
| CAL | NAK | CAJ | NAP | 172.3° | 179.9° |
| NAK | CAJ | NAP | CAU | 24.7° | 0.2° |
| NAK | CAJ | NAP | CAQ | 169.1° | 179.9° |
| CAJ | NAP | CAU | CAQ | 166.9° | 179.7° |
| CAJ | NAP | CAU | CAT | 140.5° | 128.8° |
| CAJ | NAP | CAQ | CAR | 141.0° | 128.8° |
| CAJ | NAP | CAU | H6 | 99.5° | 111.5° |
| CAJ | NAP | CAU | H7 | 20.5° | 9.1° |
| CAJ | NAP | CAQ | H10 | 21.1° | 9.1° |
| CAJ | NAP | CAQ | H11 | 99.2° | 111.4° |
| NAP | CAU | CAT | H6 | 120.0° | 119.7° |
| NAP | CAU | CAT | H7 | 120.0° | 119.7° |
| NAP | CAU | CAT | NAS | 59.4° | 53.9° |
| CAU | NAP | CAQ | CAR | 51.2° | 50.9° |
| NAP | CAU | H6 | H7 | 120.0° | 120.5° |
| NAP | CAU | CAT | H8 | 179.8° | 173.8° |
| NAP | CAU | CAT | H9 | 61.0° | 66.1° |
| CAU | NAP | CAQ | H10 | 171.0° | 170.6° |
| CAU | NAP | CAQ | H11 | 68.6° | 68.8° |
| CAQ | NAP | CAU | CAT | 52.6° | 51.0° |
| NAP | CAQ | CAR | H10 | 119.8° | 119.6° |
| NAP | CAQ | CAR | H11 | 119.8° | 119.8° |
| NAP | CAQ | CAR | NAS | 59.8° | 54.0° |
| CAQ | NAP | CAU | H6 | 67.5° | 68.8° |
| CAQ | NAP | CAU | H7 | 172.6° | 170.6° |
| NAP | CAQ | H10 | H11 | 120.5° | 120.5° |
| NAP | CAQ | CAR | H12 | 61.3° | 66.1° |
| NAP | CAQ | CAR | H13 | 179.2° | 173.8° |
| CAU | CAT | NAS | H8 | 120.4° | 119.9° |
| CAU | CAT | NAS | H9 | 120.4° | 120.0° |
| CAU | CAT | NAS | CAR | 60.8° | 63.4° |
| CAU | CAT | NAS | CAV | 179.6° | 172.7° |
| CAT | CAU | H6 | H7 | 120.0° | 120.5° |
| CAU | CAT | H8 | H9 | 118.7° | 120.1° |
| CAT | NAS | CAR | CAQ | 63.1° | 63.4° |
| CAT | NAS | CAR | CAV | 117.1° | 123.9° |
| CAT | NAS | CAV | CBB | 151.4° | 170.1° |
| NAS | CAT | CAU | H6 | 60.6° | 65.8° |
| NAS | CAT | CAU | H7 | 179.4° | 173.6° |
| NAS | CAT | H8 | H9 | 118.7° | 120.1° |
| CAT | NAS | CAR | H12 | 57.9° | 56.7° |
| CAT | NAS | CAR | H13 | 175.8° | 176.6° |
| CAT | NAS | CAV | H15 | 88.4° | 50.1° |
| CAT | NAS | CAV | H16 | 31.2° | 70.0° |
| CAQ | CAR | NAS | H12 | 121.0° | 120.1° |
| CAQ | CAR | NAS | H13 | 121.0° | 120.0° |
| CAQ | CAR | NAS | CAV | 179.8° | 172.7° |
| CAR | CAQ | H10 | H11 | 120.6° | 120.5° |
| CAQ | CAR | H12 | H13 | 116.8° | 120.1° |
| CAR | NAS | CAV | CBB | 38.8° | 66.0° |
| CAR | NAS | CAT | H8 | 178.8° | 176.7° |
| CAR | NAS | CAT | H9 | 59.6° | 56.6° |
| NAS | CAR | CAQ | H10 | 179.6° | 173.6° |
| NAS | CAR | CAQ | H11 | 60.0° | 65.8° |
| NAS | CAR | H12 | H13 | 116.8° | 119.9° |
| CAR | NAS | CAV | H15 | 159.0° | 174.0° |
| CAR | NAS | CAV | H16 | 81.4° | 54.0° |
| NAS | CAV | CBB | H15 | 120.2° | 120.0° |
| NAS | CAV | CBB | H16 | 120.2° | 120.0° |
| NAS | CAV | CBB | CAW | 100.2° | 90.0° |
| NAS | CAV | CBB | CBA | 77.6° | 90.3° |
| CAV | NAS | CAT | H8 | 59.1° | 52.8° |
| CAV | NAS | CAT | H9 | 60.0° | 67.3° |
| CAV | NAS | CAR | H12 | 59.2° | 67.2° |
| CAV | NAS | CAR | H13 | 58.8° | 52.7° |
| NAS | CAV | H15 | H16 | 119.5° | 120.0° |
| CAV | CBB | CAW | CBA | 177.9° | 179.7° |
| CAV | CBB | CAW | CAX | 176.7° | 180.0° |
| CAV | CBB | CBA | CAZ | 176.7° | 179.8° |
| CBB | CAV | H15 | H16 | 119.4° | 120.0° |
| CAV | CBB | CAW | H17 | 3.3° | 0.0° |
| CAV | CBB | CBA | H22 | 3.3° | 0.0° |
| CBB | CAW | CAX | H17 | 180.0° | 180.0° |
| CBB | CAW | CAX | CAY | 2.4° | 0.0° |
| CAW | CBB | CBA | CAZ | 1.0° | 0.5° |
| CAW | CBB | CAV | H15 | 139.7° | 30.0° |
| CAW | CBB | CAV | H16 | 20.1° | 150.0° |
| CBB | CAW | CAX | H18 | 177.5° | 180.0° |
| CAW | CBB | CBA | H22 | 179.1° | 179.7° |
| CBA | CBB | CAW | CAX | 1.2° | 0.3° |
| CBB | CBA | CAZ | CAY | 2.1° | 0.5° |
| CBB | CBA | CAZ | H22 | 180.0° | 179.8° |
| CBA | CBB | CAV | H15 | 42.5° | 149.7° |
| CBA | CBB | CAV | H16 | 162.1° | 29.7° |
| CBA | CBB | CAW | H17 | 178.8° | 179.7° |
| CBB | CBA | CAZ | H21 | 177.9° | 179.7° |
| CAW | CAX | CAY | H18 | 180.0° | 180.0° |
| CAW | CAX | CAY | CAZ | 3.7° | 0.0° |
| CAW | CAX | CAY | BBC | 178.3° | 180.0° |
| CAX | CAY | CAZ | BBC | 173.9° | 180.0° |
| CAX | CAY | BBC | OBE | 29.2° | 0.0° |
| CAX | CAY | BBC | OBD | 178.4° | 180.0° |
| CAX | CAY | CAZ | CBA | 3.6° | 0.2° |
| CAY | CAX | CAW | H17 | 177.6° | 179.9° |
| CAX | CAY | CAZ | H21 | 176.4° | 179.9° |
| CAZ | CAY | BBC | OBE | 156.3° | 180.0° |
| CAZ | CAY | BBC | OBD | 3.9° | 0.0° |
| CAY | CAZ | CBA | H21 | 180.0° | 179.8° |
| CAZ | CAY | CAX | H18 | 176.2° | 180.0° |
| CAY | CAZ | CBA | H22 | 178.0° | 179.8° |
| OBE | BBC | OBD | CAY | 149.3° | 180.0° |
| OBE | BBC | OBD | H20 | 180.0° | 0.0° |
| OBD | BBC | OBE | H19 | 180.0° | 0.1° |
| CBA | CAZ | CAY | BBC | 177.5° | 179.8° |
| BBC | CAY | CAX | H18 | 1.7° | 0.0° |
| CAY | BBC | OBE | H19 | 30.7° | 179.9° |
| CAY | BBC | OBD | H20 | 30.7° | 180.0° |
| BBC | CAY | CAZ | H21 | 2.5° | 0.1° |
| H2 | CAD | CAE | H3 | 2.4° | 0.0° |
| H6 | CAU | CAT | H8 | 59.8° | 54.1° |
| H6 | CAU | CAT | H9 | 179.0° | 174.1° |
| H7 | CAU | CAT | H8 | 60.2° | 66.5° |
| H7 | CAU | CAT | H9 | 59.0° | 53.5° |
| H10 | CAQ | CAR | H12 | 58.6° | 53.5° |
| H10 | CAQ | CAR | H13 | 59.4° | 66.5° |
| H11 | CAQ | CAR | H12 | 178.9° | 174.1° |
| H11 | CAQ | CAR | H13 | 61.0° | 54.1° |
| H17 | CAW | CAX | H18 | 2.4° | 0.0° |
| H21 | CAZ | CBA | H22 | 2.1° | 0.1° |
