UW1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAH | CAI | doub | 1.36Å | 1.38Å | Aromatic |
| CAH | CAR | sing | 1.40Å | 1.37Å | Aromatic |
| CAI | CAW | sing | 1.41Å | 1.38Å | Aromatic |
| OAP | CAR | sing | 1.36Å | 1.36Å | |
| OAP | CAM | sing | 1.43Å | 1.45Å | |
| CAR | CAK | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAM | sing | 1.53Å | 1.54Å | |
| CAW | CAL | sing | 1.41Å | 1.40Å | Aromatic |
| CAW | CAX | doub | 1.42Å | 1.37Å | Aromatic |
| CAL | CAS | doub | 1.39Å | 1.38Å | Aromatic |
| CAK | CAX | sing | 1.40Å | 1.38Å | Aromatic |
| CAX | NAN | sing | 1.34Å | 1.32Å | Aromatic |
| CAS | CAU | sing | 1.48Å | 1.33Å | |
| CAS | CAJ | sing | 1.40Å | 1.38Å | Aromatic |
| OAG | CAQ | doub | 1.22Å | 1.22Å | |
| CAQ | NAE | sing | 1.35Å | 1.32Å | |
| CAQ | CAV | sing | 1.47Å | 1.38Å | |
| CAU | CAV | sing | 1.47Å | 1.35Å | Aromatic |
| CAU | NAO | doub | 1.31Å | 1.33Å | Aromatic |
| NAN | CAJ | doub | 1.31Å | 1.39Å | Aromatic |
| CAV | CAT | doub | 1.39Å | 1.36Å | Aromatic |
| CAB | CAZ | sing | 1.53Å | 1.54Å | |
| NAO | NAY | sing | 1.40Å | 1.20Å | Aromatic |
| CAT | NAY | sing | 1.35Å | 1.35Å | Aromatic |
| CAT | NAF | sing | 1.38Å | 1.34Å | |
| NAY | CAZ | sing | 1.47Å | 1.53Å | |
| CAZ | CAD | sing | 1.53Å | 1.53Å | |
| CAZ | CAC | sing | 1.53Å | 1.55Å | |
| CAA | H1 | sing | 1.09Å | 1.10Å | |
| CAA | H2 | sing | 1.09Å | 1.10Å | |
| CAA | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAK | H6 | sing | 1.08Å | 1.08Å | |
| CAH | H7 | sing | 1.08Å | 1.08Å | |
| CAI | H8 | sing | 1.08Å | 1.08Å | |
| CAL | H9 | sing | 1.08Å | 1.08Å | |
| CAJ | H10 | sing | 1.08Å | 1.08Å | |
| CAC | H11 | sing | 1.09Å | 1.10Å | |
| CAC | H12 | sing | 1.09Å | 1.10Å | |
| CAC | H13 | sing | 1.09Å | 1.10Å | |
| CAD | H14 | sing | 1.09Å | 1.10Å | |
| CAD | H15 | sing | 1.09Å | 1.10Å | |
| CAD | H16 | sing | 1.09Å | 1.10Å | |
| CAB | H17 | sing | 1.09Å | 1.10Å | |
| CAB | H18 | sing | 1.09Å | 1.10Å | |
| CAB | H19 | sing | 1.09Å | 1.10Å | |
| NAF | H20 | sing | 0.97Å | 1.00Å | |
| NAF | H21 | sing | 0.97Å | 1.00Å | |
| NAE | H22 | sing | 0.97Å | 1.00Å | |
| NAE | H23 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAI | CAH | CAR | 120.3° | 120.8° |
| CAH | CAI | CAW | 120.9° | 119.8° |
| CAI | CAH | H7 | 119.9° | 119.6° |
| CAH | CAI | H8 | 119.5° | 120.1° |
| CAH | CAR | OAP | 117.4° | 119.6° |
| CAH | CAR | CAK | 119.3° | 120.8° |
| CAR | CAH | H7 | 119.8° | 119.6° |
| CAI | CAW | CAL | 120.2° | 121.0° |
| CAI | CAW | CAX | 118.5° | 119.9° |
| CAW | CAI | H8 | 119.5° | 120.1° |
| CAR | OAP | CAM | 114.4° | 116.9° |
| OAP | CAR | CAK | 123.3° | 119.5° |
| OAP | CAM | CAA | 110.2° | 109.5° |
| OAP | CAM | H4 | 109.3° | 109.5° |
| OAP | CAM | H5 | 109.3° | 109.4° |
| CAR | CAK | CAX | 119.7° | 119.6° |
| CAR | CAK | H6 | 120.2° | 120.2° |
| CAM | CAA | H1 | 109.5° | 109.5° |
| CAM | CAA | H2 | 109.4° | 109.5° |
| CAM | CAA | H3 | 109.5° | 109.5° |
| CAA | CAM | H4 | 109.3° | 109.5° |
| CAA | CAM | H5 | 109.3° | 109.4° |
| CAL | CAW | CAX | 121.3° | 119.1° |
| CAW | CAL | CAS | 119.2° | 117.9° |
| CAW | CAL | H9 | 120.4° | 121.0° |
| CAW | CAX | CAK | 121.3° | 119.1° |
| CAW | CAX | NAN | 119.6° | 120.2° |
| CAL | CAS | CAU | 124.0° | 120.2° |
| CAL | CAS | CAJ | 117.8° | 119.6° |
| CAS | CAL | H9 | 120.4° | 121.0° |
| CAK | CAX | NAN | 119.1° | 120.8° |
| CAX | CAK | H6 | 120.2° | 120.1° |
| CAX | NAN | CAJ | 120.6° | 121.7° |
| CAU | CAS | CAJ | 118.1° | 120.2° |
| CAS | CAU | CAV | 131.4° | 126.4° |
| CAS | CAU | NAO | 120.4° | 126.4° |
| CAS | CAJ | NAN | 121.6° | 121.5° |
| CAS | CAJ | H10 | 119.2° | 119.3° |
| OAG | CAQ | NAE | 118.5° | 120.0° |
| OAG | CAQ | CAV | 121.0° | 120.0° |
| NAE | CAQ | CAV | 120.1° | 120.0° |
| CAQ | NAE | H22 | 120.0° | 120.0° |
| CAQ | NAE | H23 | 120.0° | 120.0° |
| CAQ | CAV | CAU | 133.2° | 126.9° |
| CAQ | CAV | CAT | 123.8° | 126.9° |
| CAV | CAU | NAO | 108.2° | 107.1° |
| CAU | CAV | CAT | 103.0° | 106.2° |
| CAU | NAO | NAY | 111.3° | 109.4° |
| NAN | CAJ | H10 | 119.2° | 119.2° |
| CAV | CAT | NAY | 108.9° | 107.6° |
| CAV | CAT | NAF | 128.6° | 126.2° |
| CAB | CAZ | NAY | 110.8° | 109.5° |
| CAB | CAZ | CAD | 107.3° | 109.5° |
| CAB | CAZ | CAC | 110.4° | 109.5° |
| CAZ | CAB | H17 | 109.5° | 109.4° |
| CAZ | CAB | H18 | 109.5° | 109.4° |
| CAZ | CAB | H19 | 109.5° | 109.5° |
| NAO | NAY | CAT | 108.6° | 109.7° |
| NAO | NAY | CAZ | 119.9° | 125.1° |
| NAY | CAT | NAF | 122.5° | 126.2° |
| CAT | NAY | CAZ | 131.5° | 125.2° |
| CAT | NAF | H20 | 109.5° | 120.0° |
| CAT | NAF | H21 | 109.4° | 119.9° |
| NAY | CAZ | CAD | 110.8° | 109.5° |
| NAY | CAZ | CAC | 109.4° | 109.5° |
| CAD | CAZ | CAC | 108.0° | 109.5° |
| CAZ | CAD | H14 | 109.5° | 109.5° |
| CAZ | CAD | H15 | 109.5° | 109.4° |
| CAZ | CAD | H16 | 109.4° | 109.5° |
| CAZ | CAC | H11 | 109.5° | 109.5° |
| CAZ | CAC | H12 | 109.5° | 109.5° |
| CAZ | CAC | H13 | 109.5° | 109.5° |
| H1 | CAA | H2 | 109.5° | 109.5° |
| H1 | CAA | H3 | 109.5° | 109.4° |
| H2 | CAA | H3 | 109.5° | 109.4° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H11 | CAC | H12 | 109.5° | 109.4° |
| H11 | CAC | H13 | 109.5° | 109.5° |
| H12 | CAC | H13 | 109.5° | 109.5° |
| H14 | CAD | H15 | 109.5° | 109.5° |
| H14 | CAD | H16 | 109.5° | 109.5° |
| H15 | CAD | H16 | 109.5° | 109.4° |
| H17 | CAB | H18 | 109.5° | 109.5° |
| H17 | CAB | H19 | 109.4° | 109.5° |
| H18 | CAB | H19 | 109.5° | 109.5° |
| H20 | NAF | H21 | 109.5° | 120.1° |
| H22 | NAE | H23 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAI | CAH | CAR | H7 | 180.0° | 180.0° |
| CAH | CAI | CAW | H8 | 180.0° | 179.9° |
| CAI | CAH | CAR | OAP | 178.8° | 180.0° |
| CAI | CAH | CAR | CAK | 0.0° | 0.3° |
| CAH | CAI | CAW | CAL | 178.3° | 180.0° |
| CAH | CAI | CAW | CAX | 0.9° | 0.3° |
| CAR | CAH | CAI | CAW | 0.4° | 0.0° |
| CAH | CAR | OAP | CAK | 178.8° | 179.7° |
| CAH | CAR | OAP | CAM | 148.2° | 0.3° |
| CAH | CAR | CAK | CAX | 0.1° | 0.3° |
| CAH | CAR | CAK | H6 | 179.9° | 179.7° |
| CAR | CAH | CAI | H8 | 179.6° | 179.9° |
| CAI | CAW | CAL | CAX | 179.1° | 179.7° |
| CAI | CAW | CAL | CAS | 178.2° | 180.0° |
| CAI | CAW | CAX | CAK | 1.0° | 0.3° |
| CAI | CAW | CAX | NAN | 179.9° | 179.7° |
| CAW | CAI | CAH | H7 | 179.5° | 180.0° |
| CAI | CAW | CAL | H9 | 1.8° | 0.0° |
| CAR | OAP | CAM | CAA | 168.3° | 180.0° |
| OAP | CAR | CAK | CAX | 178.7° | 180.0° |
| CAR | OAP | CAM | H4 | 71.6° | 60.0° |
| CAR | OAP | CAM | H5 | 48.2° | 60.0° |
| OAP | CAR | CAK | H6 | 1.3° | 0.1° |
| OAP | CAR | CAH | H7 | 1.2° | 0.0° |
| CAM | OAP | CAR | CAK | 33.0° | 180.0° |
| OAP | CAM | CAA | H4 | 120.1° | 120.1° |
| OAP | CAM | CAA | H5 | 120.1° | 119.9° |
| OAP | CAM | CAA | H1 | 180.0° | 179.9° |
| OAP | CAM | CAA | H2 | 60.0° | 60.0° |
| OAP | CAM | CAA | H3 | 60.0° | 60.0° |
| OAP | CAM | H4 | H5 | 119.7° | 120.0° |
| CAR | CAK | CAX | CAW | 0.6° | 0.0° |
| CAR | CAK | CAX | H6 | 180.0° | 180.0° |
| CAR | CAK | CAX | NAN | 179.5° | 180.0° |
| CAK | CAR | CAH | H7 | 180.0° | 179.7° |
| CAM | CAA | H1 | H2 | 120.0° | 120.0° |
| CAM | CAA | H1 | H3 | 120.0° | 120.0° |
| CAM | CAA | H2 | H3 | 120.0° | 120.0° |
| CAA | CAM | H4 | H5 | 119.6° | 120.0° |
| CAW | CAL | CAS | H9 | 180.0° | 179.9° |
| CAL | CAW | CAX | CAK | 178.2° | 180.0° |
| CAL | CAW | CAX | NAN | 0.8° | 0.0° |
| CAW | CAL | CAS | CAU | 178.5° | 180.0° |
| CAW | CAL | CAS | CAJ | 2.0° | 0.4° |
| CAL | CAW | CAI | H8 | 1.7° | 0.1° |
| CAX | CAW | CAL | CAS | 0.9° | 0.2° |
| CAW | CAX | CAK | NAN | 178.9° | 180.0° |
| CAW | CAX | NAN | CAJ | 1.3° | 0.0° |
| CAW | CAX | CAK | H6 | 179.4° | 180.0° |
| CAX | CAW | CAI | H8 | 179.1° | 179.7° |
| CAX | CAW | CAL | H9 | 179.1° | 179.7° |
| CAL | CAS | CAU | CAJ | 176.5° | 179.5° |
| CAL | CAS | CAU | CAV | 51.3° | 145.0° |
| CAL | CAS | CAU | NAO | 132.0° | 34.7° |
| CAL | CAS | CAJ | NAN | 1.5° | 0.4° |
| CAL | CAS | CAJ | H10 | 178.5° | 179.7° |
| CAK | CAX | NAN | CAJ | 177.7° | 180.0° |
| CAX | NAN | CAJ | CAS | 0.1° | 0.2° |
| NAN | CAX | CAK | H6 | 0.5° | 0.0° |
| CAX | NAN | CAJ | H10 | 179.9° | 180.0° |
| CAS | CAU | CAV | CAQ | 1.5° | 0.0° |
| CAS | CAU | CAV | NAO | 177.0° | 179.7° |
| CAU | CAS | CAJ | NAN | 178.3° | 180.0° |
| CAS | CAU | CAV | CAT | 178.6° | 179.8° |
| CAS | CAU | NAO | NAY | 179.2° | 180.0° |
| CAU | CAS | CAL | H9 | 1.5° | 0.1° |
| CAU | CAS | CAJ | H10 | 1.7° | 0.2° |
| CAJ | CAS | CAU | CAV | 132.1° | 35.5° |
| CAJ | CAS | CAU | NAO | 44.5° | 144.8° |
| CAS | CAJ | NAN | H10 | 180.0° | 179.9° |
| CAJ | CAS | CAL | H9 | 178.0° | 179.5° |
| OAG | CAQ | NAE | CAV | 173.3° | 180.0° |
| OAG | CAQ | CAV | CAU | 163.6° | 90.0° |
| OAG | CAQ | CAV | CAT | 16.3° | 89.8° |
| OAG | CAQ | NAE | H22 | 0.0° | 179.9° |
| OAG | CAQ | NAE | H23 | 180.0° | 0.1° |
| NAE | CAQ | CAV | CAU | 23.3° | 90.0° |
| NAE | CAQ | CAV | CAT | 156.8° | 90.2° |
| CAQ | NAE | H22 | H23 | 180.0° | 179.9° |
| CAQ | CAV | CAU | CAT | 179.9° | 179.9° |
| CAQ | CAV | CAU | NAO | 178.5° | 179.7° |
| CAQ | CAV | CAT | NAY | 179.1° | 179.7° |
| CAQ | CAV | CAT | NAF | 2.0° | 0.0° |
| CAV | CAQ | NAE | H22 | 173.3° | 0.1° |
| CAV | CAQ | NAE | H23 | 6.7° | 179.9° |
| CAV | CAU | NAO | NAY | 1.8° | 0.2° |
| CAU | CAV | CAT | NAY | 1.0° | 0.4° |
| CAU | CAV | CAT | NAF | 177.9° | 179.9° |
| NAO | CAU | CAV | CAT | 1.6° | 0.4° |
| CAU | NAO | NAY | CAT | 1.2° | 0.0° |
| CAU | NAO | NAY | CAZ | 179.2° | 180.0° |
| CAV | CAT | NAY | NAO | 0.1° | 0.3° |
| CAV | CAT | NAY | NAF | 178.9° | 179.7° |
| CAV | CAT | NAY | CAZ | 179.7° | 179.7° |
| CAV | CAT | NAF | H20 | 180.0° | 179.7° |
| CAV | CAT | NAF | H21 | 60.0° | 0.3° |
| CAB | CAZ | NAY | NAO | 115.9° | 120.0° |
| CAB | CAZ | NAY | CAT | 64.5° | 60.0° |
| CAB | CAZ | NAY | CAD | 119.0° | 120.0° |
| CAB | CAZ | NAY | CAC | 122.0° | 120.0° |
| CAB | CAZ | CAD | CAC | 119.1° | 120.0° |
| CAB | CAZ | CAC | H11 | 180.0° | 180.0° |
| CAB | CAZ | CAC | H12 | 60.0° | 60.0° |
| CAB | CAZ | CAC | H13 | 60.0° | 60.0° |
| CAB | CAZ | CAD | H14 | 180.0° | 60.0° |
| CAB | CAZ | CAD | H15 | 60.0° | 60.0° |
| CAB | CAZ | CAD | H16 | 60.0° | 180.0° |
| CAZ | CAB | H17 | H18 | 120.0° | 120.0° |
| CAZ | CAB | H17 | H19 | 120.0° | 120.0° |
| CAZ | CAB | H18 | H19 | 120.0° | 120.0° |
| NAO | NAY | CAT | CAZ | 179.6° | 180.0° |
| NAO | NAY | CAT | NAF | 179.0° | 180.0° |
| NAO | NAY | CAZ | CAD | 3.1° | 0.0° |
| NAO | NAY | CAZ | CAC | 122.1° | 120.0° |
| CAT | NAY | CAZ | CAD | 176.5° | 180.0° |
| CAT | NAY | CAZ | CAC | 57.5° | 60.0° |
| NAY | CAT | NAF | H20 | 1.3° | 0.0° |
| NAY | CAT | NAF | H21 | 118.7° | 180.0° |
| NAF | CAT | NAY | CAZ | 1.4° | 0.0° |
| CAT | NAF | H20 | H21 | 120.0° | 180.0° |
| NAY | CAZ | CAD | CAC | 119.8° | 120.0° |
| NAY | CAZ | CAC | H11 | 57.8° | 60.0° |
| NAY | CAZ | CAC | H12 | 177.8° | 180.0° |
| NAY | CAZ | CAC | H13 | 62.2° | 60.0° |
| NAY | CAZ | CAD | H14 | 58.9° | 60.0° |
| NAY | CAZ | CAD | H15 | 61.1° | 180.0° |
| NAY | CAZ | CAD | H16 | 178.9° | 60.0° |
| NAY | CAZ | CAB | H17 | 180.0° | 60.0° |
| NAY | CAZ | CAB | H18 | 60.0° | 180.0° |
| NAY | CAZ | CAB | H19 | 60.0° | 60.0° |
| CAD | CAZ | CAC | H11 | 62.9° | 60.0° |
| CAD | CAZ | CAC | H12 | 57.1° | 60.0° |
| CAD | CAZ | CAC | H13 | 177.1° | 180.0° |
| CAZ | CAD | H14 | H15 | 120.0° | 120.0° |
| CAZ | CAD | H14 | H16 | 120.0° | 120.0° |
| CAZ | CAD | H15 | H16 | 120.0° | 120.0° |
| CAD | CAZ | CAB | H17 | 58.9° | 180.0° |
| CAD | CAZ | CAB | H18 | 61.1° | 60.0° |
| CAD | CAZ | CAB | H19 | 178.9° | 60.0° |
| CAZ | CAC | H11 | H12 | 120.0° | 120.0° |
| CAZ | CAC | H11 | H13 | 120.0° | 120.0° |
| CAZ | CAC | H12 | H13 | 120.0° | 120.0° |
| CAC | CAZ | CAD | H14 | 60.9° | 180.0° |
| CAC | CAZ | CAD | H15 | 179.1° | 60.0° |
| CAC | CAZ | CAD | H16 | 59.1° | 60.0° |
| CAC | CAZ | CAB | H17 | 58.6° | 60.0° |
| CAC | CAZ | CAB | H18 | 178.7° | 60.0° |
| CAC | CAZ | CAB | H19 | 61.3° | 180.0° |
| H1 | CAA | H2 | H3 | 120.0° | 119.9° |
| H1 | CAA | CAM | H4 | 59.9° | 60.0° |
| H1 | CAA | CAM | H5 | 59.8° | 60.0° |
| H2 | CAA | CAM | H4 | 179.9° | 60.1° |
| H2 | CAA | CAM | H5 | 60.1° | 179.9° |
| H3 | CAA | CAM | H4 | 60.1° | 180.0° |
| H3 | CAA | CAM | H5 | 179.9° | 60.0° |
| H7 | CAH | CAI | H8 | 0.4° | 0.1° |
| H11 | CAC | H12 | H13 | 120.0° | 120.0° |
| H14 | CAD | H15 | H16 | 120.0° | 120.0° |
| H17 | CAB | H18 | H19 | 120.0° | 120.0° |
