D0K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBD | OBC | sing | 1.43Å | 1.44Å | |
| OBC | CAZ | sing | 1.36Å | 1.37Å | |
| CAQ | CAP | sing | 1.53Å | 1.53Å | |
| CAP | NAN | sing | 1.47Å | 1.47Å | |
| CAZ | CAY | doub | 1.39Å | 1.40Å | Aromatic |
| CAZ | CBA | sing | 1.39Å | 1.40Å | Aromatic |
| NAN | CAM | sing | 1.35Å | 1.34Å | |
| CAY | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| OAO | CAM | doub | 1.22Å | 1.23Å | |
| CBA | CBB | doub | 1.38Å | 1.40Å | Aromatic |
| CAM | NAL | sing | 1.35Å | 1.36Å | |
| CAX | CAW | doub | 1.39Å | 1.40Å | Aromatic |
| CBB | CAW | sing | 1.39Å | 1.39Å | Aromatic |
| NAL | CAH | sing | 1.39Å | 1.35Å | |
| CAW | NAK | sing | 1.40Å | 1.34Å | |
| CAI | CAH | doub | 1.39Å | 1.41Å | Aromatic |
| CAI | CAJ | sing | 1.39Å | 1.42Å | Aromatic |
| CAH | NAG | sing | 1.33Å | 1.34Å | Aromatic |
| NAK | CAJ | sing | 1.39Å | 1.36Å | |
| CAJ | CAE | doub | 1.41Å | 1.43Å | Aromatic |
| NAG | CAF | doub | 1.32Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.40Å | 1.41Å | Aromatic |
| CAE | CAC | sing | 1.47Å | 1.43Å | |
| OAD | CAC | doub | 1.22Å | 1.23Å | |
| CAC | NAB | sing | 1.35Å | 1.36Å | |
| NAB | CAA | sing | 1.40Å | 1.34Å | |
| CAA | CAR | doub | 1.39Å | 1.40Å | Aromatic |
| CAA | CAV | sing | 1.39Å | 1.40Å | Aromatic |
| CAR | CAS | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | NAU | doub | 1.32Å | 1.40Å | Aromatic |
| CAS | CAT | doub | 1.38Å | 1.39Å | Aromatic |
| NAU | CAT | sing | 1.32Å | 1.40Å | Aromatic |
| CBD | H1 | sing | 1.09Å | 1.10Å | |
| CBD | H2 | sing | 1.09Å | 1.10Å | |
| CBD | H3 | sing | 1.09Å | 1.10Å | |
| CBA | H4 | sing | 1.08Å | 1.08Å | |
| CBB | H5 | sing | 1.08Å | 1.08Å | |
| CAY | H6 | sing | 1.08Å | 1.08Å | |
| CAX | H7 | sing | 1.08Å | 1.08Å | |
| NAK | H8 | sing | 0.97Å | 1.00Å | |
| CAI | H9 | sing | 1.08Å | 1.08Å | |
| NAL | H10 | sing | 0.97Å | 1.00Å | |
| NAN | H11 | sing | 0.97Å | 1.00Å | |
| CAP | H12 | sing | 1.09Å | 1.10Å | |
| CAP | H13 | sing | 1.09Å | 1.10Å | |
| CAQ | H14 | sing | 1.09Å | 1.10Å | |
| CAQ | H15 | sing | 1.09Å | 1.10Å | |
| CAQ | H16 | sing | 1.09Å | 1.10Å | |
| CAF | H17 | sing | 1.08Å | 1.08Å | |
| NAB | H18 | sing | 0.97Å | 1.00Å | |
| CAR | H19 | sing | 1.08Å | 1.08Å | |
| CAS | H20 | sing | 1.08Å | 1.08Å | |
| CAT | H21 | sing | 1.08Å | 1.08Å | |
| CAV | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBD | OBC | CAZ | 117.0° | 116.9° |
| OBC | CBD | H1 | 109.5° | 109.5° |
| OBC | CBD | H2 | 109.5° | 109.5° |
| OBC | CBD | H3 | 109.4° | 109.4° |
| OBC | CAZ | CAY | 119.1° | 120.0° |
| OBC | CAZ | CBA | 122.1° | 120.0° |
| CAQ | CAP | NAN | 110.2° | 109.4° |
| CAQ | CAP | H12 | 109.3° | 109.5° |
| CAQ | CAP | H13 | 109.3° | 109.5° |
| CAP | CAQ | H14 | 109.5° | 109.5° |
| CAP | CAQ | H15 | 109.5° | 109.5° |
| CAP | CAQ | H16 | 109.5° | 109.5° |
| CAP | NAN | CAM | 123.4° | 120.0° |
| CAP | NAN | H11 | 118.3° | 120.1° |
| NAN | CAP | H12 | 109.3° | 109.5° |
| NAN | CAP | H13 | 109.3° | 109.4° |
| CAY | CAZ | CBA | 118.8° | 120.1° |
| CAZ | CAY | CAX | 120.5° | 120.0° |
| CAZ | CAY | H6 | 119.7° | 120.0° |
| CAZ | CBA | CBB | 120.5° | 120.0° |
| CAZ | CBA | H4 | 119.8° | 120.0° |
| NAN | CAM | OAO | 120.7° | 120.0° |
| NAN | CAM | NAL | 115.2° | 120.0° |
| CAM | NAN | H11 | 118.3° | 120.0° |
| CAY | CAX | CAW | 120.4° | 120.0° |
| CAX | CAY | H6 | 119.8° | 120.0° |
| CAY | CAX | H7 | 119.8° | 120.0° |
| OAO | CAM | NAL | 124.1° | 120.0° |
| CBA | CBB | CAW | 120.8° | 120.0° |
| CBB | CBA | H4 | 119.7° | 120.0° |
| CBA | CBB | H5 | 119.6° | 120.0° |
| CAM | NAL | CAH | 124.4° | 120.0° |
| CAM | NAL | H10 | 117.8° | 120.0° |
| CAX | CAW | CBB | 119.0° | 120.0° |
| CAX | CAW | NAK | 123.6° | 120.0° |
| CAW | CAX | H7 | 119.8° | 120.0° |
| CBB | CAW | NAK | 117.3° | 120.0° |
| CAW | CBB | H5 | 119.6° | 120.0° |
| NAL | CAH | CAI | 127.5° | 119.5° |
| NAL | CAH | NAG | 113.6° | 119.5° |
| CAH | NAL | H10 | 117.8° | 120.0° |
| CAW | NAK | CAJ | 125.7° | 120.0° |
| CAW | NAK | H8 | 117.2° | 120.0° |
| CAH | CAI | CAJ | 121.2° | 119.2° |
| CAI | CAH | NAG | 118.9° | 121.1° |
| CAH | CAI | H9 | 119.4° | 120.4° |
| CAI | CAJ | NAK | 124.8° | 120.9° |
| CAI | CAJ | CAE | 119.3° | 118.2° |
| CAJ | CAI | H9 | 119.4° | 120.4° |
| CAH | NAG | CAF | 121.9° | 122.0° |
| NAK | CAJ | CAE | 115.9° | 120.9° |
| CAJ | NAK | H8 | 117.2° | 120.0° |
| CAJ | CAE | CAF | 116.9° | 118.8° |
| CAJ | CAE | CAC | 123.6° | 120.6° |
| NAG | CAF | CAE | 121.9° | 120.7° |
| NAG | CAF | H17 | 119.0° | 119.7° |
| CAF | CAE | CAC | 119.4° | 120.6° |
| CAE | CAF | H17 | 119.1° | 119.6° |
| CAE | CAC | OAD | 119.1° | 120.0° |
| CAE | CAC | NAB | 118.0° | 120.0° |
| OAD | CAC | NAB | 122.9° | 120.0° |
| CAC | NAB | CAA | 123.2° | 120.0° |
| CAC | NAB | H18 | 118.4° | 120.0° |
| NAB | CAA | CAR | 122.6° | 120.5° |
| NAB | CAA | CAV | 118.7° | 120.5° |
| CAA | NAB | H18 | 118.4° | 120.0° |
| CAR | CAA | CAV | 118.6° | 119.0° |
| CAA | CAR | CAS | 121.3° | 118.4° |
| CAA | CAR | H19 | 119.4° | 120.8° |
| CAA | CAV | NAU | 120.3° | 120.7° |
| CAA | CAV | H22 | 119.8° | 119.7° |
| CAR | CAS | CAT | 119.8° | 119.2° |
| CAS | CAR | H19 | 119.3° | 120.8° |
| CAR | CAS | H20 | 120.1° | 120.4° |
| CAV | NAU | CAT | 120.3° | 121.8° |
| NAU | CAV | H22 | 119.8° | 119.6° |
| CAS | CAT | NAU | 119.7° | 120.9° |
| CAT | CAS | H20 | 120.1° | 120.4° |
| CAS | CAT | H21 | 120.2° | 119.6° |
| NAU | CAT | H21 | 120.1° | 119.5° |
| H1 | CBD | H2 | 109.5° | 109.5° |
| H1 | CBD | H3 | 109.5° | 109.4° |
| H2 | CBD | H3 | 109.5° | 109.4° |
| H12 | CAP | H13 | 109.5° | 109.5° |
| H14 | CAQ | H15 | 109.5° | 109.5° |
| H14 | CAQ | H16 | 109.4° | 109.5° |
| H15 | CAQ | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBD | OBC | CAZ | CAY | 143.3° | 180.0° |
| CBD | OBC | CAZ | CBA | 37.5° | 0.3° |
| OBC | CBD | H1 | H2 | 120.0° | 120.1° |
| OBC | CBD | H1 | H3 | 120.0° | 119.9° |
| OBC | CBD | H2 | H3 | 120.0° | 119.9° |
| OBC | CAZ | CAY | CBA | 179.3° | 179.7° |
| OBC | CAZ | CAY | CAX | 179.4° | 180.0° |
| OBC | CAZ | CBA | CBB | 179.8° | 180.0° |
| CAZ | OBC | CBD | H1 | 180.0° | 60.1° |
| CAZ | OBC | CBD | H2 | 60.0° | 60.1° |
| CAZ | OBC | CBD | H3 | 60.0° | 180.0° |
| OBC | CAZ | CBA | H4 | 0.2° | 0.0° |
| OBC | CAZ | CAY | H6 | 0.6° | 0.0° |
| CAQ | CAP | NAN | H12 | 120.1° | 120.0° |
| CAQ | CAP | NAN | H13 | 120.1° | 120.0° |
| CAQ | CAP | NAN | CAM | 142.1° | 180.0° |
| CAQ | CAP | NAN | H11 | 37.9° | 0.0° |
| CAQ | CAP | H12 | H13 | 119.7° | 120.1° |
| CAP | CAQ | H14 | H15 | 120.0° | 120.0° |
| CAP | CAQ | H14 | H16 | 120.0° | 120.0° |
| CAP | CAQ | H15 | H16 | 120.0° | 120.0° |
| CAP | NAN | CAM | H11 | 180.0° | 180.0° |
| CAP | NAN | CAM | OAO | 0.0° | 0.0° |
| CAP | NAN | CAM | NAL | 179.0° | 180.0° |
| NAN | CAP | H12 | H13 | 119.7° | 120.0° |
| NAN | CAP | CAQ | H14 | 180.0° | 60.0° |
| NAN | CAP | CAQ | H15 | 60.0° | 180.0° |
| NAN | CAP | CAQ | H16 | 60.0° | 60.0° |
| CAZ | CAY | CAX | H6 | 180.0° | 179.9° |
| CAY | CAZ | CBA | CBB | 0.5° | 0.3° |
| CAZ | CAY | CAX | CAW | 1.6° | 0.0° |
| CAY | CAZ | CBA | H4 | 179.5° | 179.7° |
| CAZ | CAY | CAX | H7 | 178.4° | 180.0° |
| CBA | CAZ | CAY | CAX | 0.1° | 0.2° |
| CAZ | CBA | CBB | H4 | 180.0° | 180.0° |
| CAZ | CBA | CBB | CAW | 0.8° | 0.0° |
| CAZ | CBA | CBB | H5 | 179.2° | 180.0° |
| CBA | CAZ | CAY | H6 | 179.8° | 179.7° |
| NAN | CAM | OAO | NAL | 178.9° | 180.0° |
| NAN | CAM | NAL | CAH | 177.1° | 174.9° |
| NAN | CAM | NAL | H10 | 2.9° | 5.1° |
| CAM | NAN | CAP | H12 | 97.7° | 60.0° |
| CAM | NAN | CAP | H13 | 22.0° | 60.0° |
| CAY | CAX | CAW | H7 | 180.0° | 180.0° |
| CAY | CAX | CAW | CBB | 2.9° | 0.3° |
| CAY | CAX | CAW | NAK | 178.1° | 179.9° |
| OAO | CAM | NAL | CAH | 3.9° | 5.1° |
| OAO | CAM | NAL | H10 | 176.1° | 174.9° |
| OAO | CAM | NAN | H11 | 179.9° | 180.0° |
| CBA | CBB | CAW | CAX | 2.5° | 0.2° |
| CBA | CBB | CAW | H5 | 180.0° | 180.0° |
| CBA | CBB | CAW | NAK | 178.0° | 180.0° |
| CAM | NAL | CAH | H10 | 180.0° | 180.0° |
| CAM | NAL | CAH | CAI | 30.8° | 174.9° |
| CAM | NAL | CAH | NAG | 150.0° | 5.1° |
| NAL | CAM | NAN | H11 | 1.0° | 0.0° |
| CAX | CAW | CBB | NAK | 175.5° | 179.8° |
| CAX | CAW | NAK | CAJ | 64.6° | 4.5° |
| CAX | CAW | CBB | H5 | 177.5° | 179.7° |
| CAW | CAX | CAY | H6 | 178.4° | 180.0° |
| CAX | CAW | NAK | H8 | 115.4° | 175.7° |
| CBB | CAW | NAK | CAJ | 120.2° | 175.3° |
| CAW | CBB | CBA | H4 | 179.2° | 180.0° |
| CBB | CAW | CAX | H7 | 177.1° | 179.7° |
| CBB | CAW | NAK | H8 | 59.8° | 4.6° |
| NAL | CAH | CAI | NAG | 179.2° | 180.0° |
| NAL | CAH | CAI | CAJ | 179.3° | 180.0° |
| NAL | CAH | NAG | CAF | 179.7° | 180.0° |
| NAL | CAH | CAI | H9 | 0.7° | 0.0° |
| CAW | NAK | CAJ | CAI | 8.3° | 104.1° |
| CAW | NAK | CAJ | H8 | 180.0° | 179.9° |
| CAW | NAK | CAJ | CAE | 173.4° | 75.7° |
| NAK | CAW | CBB | H5 | 2.0° | 0.1° |
| NAK | CAW | CAX | H7 | 1.9° | 0.0° |
| CAH | CAI | CAJ | H9 | 180.0° | 180.0° |
| CAH | CAI | CAJ | NAK | 179.2° | 180.0° |
| CAH | CAI | CAJ | CAE | 0.9° | 0.2° |
| CAI | CAH | NAG | CAF | 0.4° | 0.0° |
| CAI | CAH | NAL | H10 | 149.2° | 5.1° |
| CAJ | CAI | CAH | NAG | 0.2° | 0.0° |
| CAI | CAJ | NAK | CAE | 178.3° | 179.8° |
| CAI | CAJ | CAE | CAF | 1.7° | 0.4° |
| CAI | CAJ | CAE | CAC | 179.3° | 179.8° |
| CAI | CAJ | NAK | H8 | 171.7° | 75.8° |
| CAH | NAG | CAF | CAE | 0.4° | 0.2° |
| NAG | CAH | CAI | H9 | 179.8° | 180.0° |
| NAG | CAH | NAL | H10 | 30.0° | 174.9° |
| CAH | NAG | CAF | H17 | 179.6° | 180.0° |
| NAK | CAJ | CAE | CAF | 179.9° | 179.8° |
| NAK | CAJ | CAE | CAC | 2.3° | 0.0° |
| NAK | CAJ | CAI | H9 | 0.8° | 0.0° |
| CAJ | CAE | CAF | NAG | 1.5° | 0.5° |
| CAJ | CAE | CAF | CAC | 177.7° | 179.8° |
| CAJ | CAE | CAC | OAD | 30.7° | 5.6° |
| CAJ | CAE | CAC | NAB | 150.1° | 174.5° |
| CAE | CAJ | NAK | H8 | 6.6° | 104.4° |
| CAE | CAJ | CAI | H9 | 179.1° | 179.8° |
| CAJ | CAE | CAF | H17 | 178.5° | 179.8° |
| NAG | CAF | CAE | H17 | 180.0° | 179.8° |
| NAG | CAF | CAE | CAC | 179.2° | 179.7° |
| CAF | CAE | CAC | OAD | 146.9° | 174.2° |
| CAF | CAE | CAC | NAB | 32.3° | 5.7° |
| CAE | CAC | OAD | NAB | 179.2° | 179.9° |
| CAE | CAC | NAB | CAA | 176.3° | 174.3° |
| CAC | CAE | CAF | H17 | 0.8° | 0.0° |
| CAE | CAC | NAB | H18 | 3.8° | 5.7° |
| OAD | CAC | NAB | CAA | 2.9° | 5.6° |
| OAD | CAC | NAB | H18 | 177.1° | 174.4° |
| CAC | NAB | CAA | H18 | 180.0° | 180.0° |
| CAC | NAB | CAA | CAR | 47.8° | 34.5° |
| CAC | NAB | CAA | CAV | 136.7° | 145.7° |
| NAB | CAA | CAR | CAV | 175.5° | 179.8° |
| NAB | CAA | CAR | CAS | 177.9° | 180.0° |
| NAB | CAA | CAV | NAU | 178.1° | 179.7° |
| NAB | CAA | CAR | H19 | 2.1° | 0.0° |
| NAB | CAA | CAV | H22 | 1.9° | 0.1° |
| CAA | CAR | CAS | H19 | 180.0° | 180.0° |
| CAR | CAA | CAV | NAU | 2.4° | 0.5° |
| CAA | CAR | CAS | CAT | 1.2° | 0.0° |
| CAR | CAA | NAB | H18 | 132.2° | 145.6° |
| CAA | CAR | CAS | H20 | 178.8° | 180.0° |
| CAR | CAA | CAV | H22 | 177.6° | 179.7° |
| CAV | CAA | CAR | CAS | 2.4° | 0.2° |
| CAA | CAV | NAU | H22 | 180.0° | 179.8° |
| CAA | CAV | NAU | CAT | 1.4° | 0.6° |
| CAV | CAA | NAB | H18 | 43.2° | 34.2° |
| CAV | CAA | CAR | H19 | 177.6° | 179.8° |
| CAR | CAS | CAT | H20 | 180.0° | 179.9° |
| CAR | CAS | CAT | NAU | 0.1° | 0.0° |
| CAR | CAS | CAT | H21 | 179.9° | 179.9° |
| CAV | NAU | CAT | CAS | 0.2° | 0.3° |
| CAV | NAU | CAT | H21 | 179.8° | 179.8° |
| CAS | CAT | NAU | H21 | 180.0° | 179.9° |
| CAT | CAS | CAR | H19 | 178.8° | 180.0° |
| NAU | CAT | CAS | H20 | 179.9° | 179.9° |
| CAT | NAU | CAV | H22 | 178.7° | 179.6° |
| H1 | CBD | H2 | H3 | 120.0° | 119.9° |
| H4 | CBA | CBB | H5 | 0.8° | 0.0° |
| H6 | CAY | CAX | H7 | 1.6° | 0.0° |
| H11 | NAN | CAP | H12 | 82.2° | 120.0° |
| H11 | NAN | CAP | H13 | 158.0° | 120.0° |
| H12 | CAP | CAQ | H14 | 59.9° | 60.0° |
| H12 | CAP | CAQ | H15 | 60.1° | 60.0° |
| H12 | CAP | CAQ | H16 | 179.9° | 180.0° |
| H13 | CAP | CAQ | H14 | 59.9° | 180.0° |
| H13 | CAP | CAQ | H15 | 179.9° | 60.0° |
| H13 | CAP | CAQ | H16 | 60.1° | 59.9° |
| H14 | CAQ | H15 | H16 | 120.0° | 120.0° |
| H19 | CAR | CAS | H20 | 1.2° | 0.0° |
| H20 | CAS | CAT | H21 | 0.1° | 0.0° |
