1MU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAQ | doub | 1.21Å | 1.24Å | |
| OAE | CAQ | sing | 1.35Å | 1.25Å | |
| CAQ | CAT | sing | 1.48Å | 1.54Å | |
| CAT | CAK | doub | 1.40Å | 1.40Å | Aromatic |
| CAT | CAL | sing | 1.40Å | 1.39Å | Aromatic |
| CAK | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAL | CAJ | doub | 1.38Å | 1.38Å | Aromatic |
| CAI | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAJ | CAS | sing | 1.38Å | 1.37Å | Aromatic |
| CAS | CAN | sing | 1.51Å | 1.51Å | |
| CAN | CAM | sing | 1.53Å | 1.53Å | |
| OAC | SAW | doub | 1.42Å | 1.50Å | |
| CAM | NAO | sing | 1.46Å | 1.45Å | |
| OAD | SAW | doub | 1.42Å | 1.49Å | |
| SAW | NAO | sing | 1.66Å | 1.60Å | |
| SAW | CAU | sing | 1.76Å | 1.73Å | |
| CAH | CAU | sing | 1.37Å | 1.34Å | Aromatic |
| CAH | CAG | doub | 1.34Å | 1.34Å | Aromatic |
| CAU | CAV | doub | 1.37Å | 1.40Å | Aromatic |
| CAG | SAP | sing | 1.71Å | 1.70Å | Aromatic |
| OAB | CAR | doub | 1.22Å | 1.24Å | |
| CAV | CAR | sing | 1.46Å | 1.51Å | |
| CAV | SAP | sing | 1.76Å | 1.65Å | Aromatic |
| CAR | OAF | sing | 1.35Å | 1.26Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAK | H2 | sing | 1.08Å | 1.08Å | |
| OAE | H3 | sing | 0.97Å | 0.95Å | |
| CAL | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| NAO | H10 | sing | 0.97Å | 1.00Å | |
| CAH | H11 | sing | 1.08Å | 1.08Å | |
| CAG | H12 | sing | 1.08Å | 1.08Å | |
| OAF | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAQ | OAE | 123.4° | 120.0° |
| OAA | CAQ | CAT | 120.0° | 120.0° |
| OAE | CAQ | CAT | 116.5° | 119.9° |
| CAQ | OAE | H3 | 109.5° | 117.0° |
| CAQ | CAT | CAK | 122.8° | 120.1° |
| CAQ | CAT | CAL | 117.4° | 120.2° |
| CAK | CAT | CAL | 119.7° | 119.7° |
| CAT | CAK | CAI | 119.5° | 119.9° |
| CAT | CAK | H2 | 120.3° | 120.1° |
| CAT | CAL | CAJ | 120.7° | 119.8° |
| CAT | CAL | H4 | 119.7° | 120.1° |
| CAK | CAI | CAS | 119.6° | 120.1° |
| CAK | CAI | H1 | 120.2° | 120.0° |
| CAI | CAK | H2 | 120.3° | 120.0° |
| CAL | CAJ | CAS | 119.4° | 120.2° |
| CAJ | CAL | H4 | 119.7° | 120.1° |
| CAL | CAJ | H5 | 120.3° | 119.9° |
| CAI | CAS | CAJ | 121.1° | 120.3° |
| CAI | CAS | CAN | 121.8° | 119.8° |
| CAS | CAI | H1 | 120.2° | 119.9° |
| CAJ | CAS | CAN | 117.1° | 119.8° |
| CAS | CAJ | H5 | 120.3° | 120.0° |
| CAS | CAN | CAM | 104.6° | 109.5° |
| CAS | CAN | H6 | 110.7° | 109.4° |
| CAS | CAN | H7 | 110.7° | 109.5° |
| CAN | CAM | NAO | 109.0° | 109.5° |
| CAM | CAN | H6 | 110.7° | 109.4° |
| CAM | CAN | H7 | 110.7° | 109.5° |
| CAN | CAM | H8 | 109.6° | 109.4° |
| CAN | CAM | H9 | 109.6° | 109.5° |
| OAC | SAW | OAD | 110.6° | 123.2° |
| OAC | SAW | NAO | 110.3° | 106.4° |
| OAC | SAW | CAU | 110.1° | 106.4° |
| CAM | NAO | SAW | 109.5° | 120.0° |
| NAO | CAM | H8 | 109.6° | 109.5° |
| NAO | CAM | H9 | 109.6° | 109.5° |
| CAM | NAO | H10 | 109.5° | 120.0° |
| OAD | SAW | NAO | 109.2° | 106.4° |
| OAD | SAW | CAU | 112.1° | 106.4° |
| NAO | SAW | CAU | 104.3° | 107.2° |
| SAW | NAO | H10 | 109.4° | 120.0° |
| SAW | CAU | CAH | 120.3° | 123.4° |
| SAW | CAU | CAV | 125.8° | 123.3° |
| CAU | CAH | CAG | 114.9° | 115.1° |
| CAH | CAU | CAV | 113.9° | 113.3° |
| CAU | CAH | H11 | 122.5° | 122.4° |
| CAH | CAG | SAP | 108.1° | 111.0° |
| CAG | CAH | H11 | 122.5° | 122.5° |
| CAH | CAG | H12 | 126.0° | 124.5° |
| CAU | CAV | CAR | 131.1° | 125.5° |
| CAU | CAV | SAP | 107.7° | 109.0° |
| CAG | SAP | CAV | 95.4° | 91.6° |
| SAP | CAG | H12 | 126.0° | 124.5° |
| OAB | CAR | CAV | 117.9° | 120.1° |
| OAB | CAR | OAF | 126.0° | 120.0° |
| CAR | CAV | SAP | 121.2° | 125.5° |
| CAV | CAR | OAF | 116.0° | 120.0° |
| CAR | OAF | H13 | 109.5° | 117.1° |
| H6 | CAN | H7 | 109.5° | 109.4° |
| H8 | CAM | H9 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAQ | OAE | CAT | 177.1° | 179.9° |
| OAA | CAQ | CAT | CAK | 53.8° | 0.0° |
| OAA | CAQ | CAT | CAL | 124.9° | 180.0° |
| OAA | CAQ | OAE | H3 | 0.0° | 0.0° |
| OAE | CAQ | CAT | CAK | 129.0° | 180.0° |
| OAE | CAQ | CAT | CAL | 52.3° | 0.1° |
| CAQ | CAT | CAK | CAL | 178.7° | 180.0° |
| CAQ | CAT | CAK | CAI | 177.9° | 179.9° |
| CAQ | CAT | CAL | CAJ | 178.8° | 180.0° |
| CAQ | CAT | CAK | H2 | 2.1° | 0.0° |
| CAT | CAQ | OAE | H3 | 177.1° | 180.0° |
| CAQ | CAT | CAL | H4 | 1.3° | 0.0° |
| CAT | CAK | CAI | H2 | 180.0° | 180.0° |
| CAK | CAT | CAL | CAJ | 0.0° | 0.0° |
| CAT | CAK | CAI | CAS | 1.7° | 0.0° |
| CAT | CAK | CAI | H1 | 178.3° | 179.7° |
| CAK | CAT | CAL | H4 | 180.0° | 180.0° |
| CAL | CAT | CAK | CAI | 0.8° | 0.0° |
| CAT | CAL | CAJ | H4 | 180.0° | 180.0° |
| CAT | CAL | CAJ | CAS | 0.0° | 0.0° |
| CAL | CAT | CAK | H2 | 179.2° | 180.0° |
| CAT | CAL | CAJ | H5 | 180.0° | 180.0° |
| CAK | CAI | CAS | H1 | 180.0° | 179.7° |
| CAK | CAI | CAS | CAJ | 1.8° | 0.0° |
| CAK | CAI | CAS | CAN | 179.5° | 179.7° |
| CAL | CAJ | CAS | CAI | 0.9° | 0.0° |
| CAL | CAJ | CAS | H5 | 180.0° | 179.9° |
| CAL | CAJ | CAS | CAN | 179.7° | 179.7° |
| CAI | CAS | CAJ | CAN | 178.8° | 179.7° |
| CAI | CAS | CAN | CAM | 105.8° | 90.0° |
| CAS | CAI | CAK | H2 | 178.3° | 180.0° |
| CAI | CAS | CAJ | H5 | 179.1° | 180.0° |
| CAI | CAS | CAN | H6 | 13.5° | 150.0° |
| CAI | CAS | CAN | H7 | 135.0° | 30.0° |
| CAJ | CAS | CAN | CAM | 73.0° | 90.2° |
| CAJ | CAS | CAI | H1 | 178.2° | 179.7° |
| CAS | CAJ | CAL | H4 | 179.9° | 180.0° |
| CAJ | CAS | CAN | H6 | 167.7° | 29.7° |
| CAJ | CAS | CAN | H7 | 46.2° | 149.7° |
| CAS | CAN | CAM | H6 | 119.2° | 120.0° |
| CAS | CAN | CAM | H7 | 119.2° | 120.1° |
| CAS | CAN | CAM | NAO | 161.3° | 180.0° |
| CAN | CAS | CAI | H1 | 0.5° | 0.0° |
| CAN | CAS | CAJ | H5 | 0.3° | 0.2° |
| CAS | CAN | H6 | H7 | 122.3° | 120.0° |
| CAS | CAN | CAM | H8 | 78.7° | 60.1° |
| CAS | CAN | CAM | H9 | 41.4° | 60.0° |
| CAN | CAM | NAO | H8 | 119.9° | 119.9° |
| CAN | CAM | NAO | H9 | 119.9° | 120.0° |
| CAN | CAM | NAO | SAW | 94.1° | 164.0° |
| CAM | CAN | H6 | H7 | 122.3° | 120.0° |
| CAN | CAM | H8 | H9 | 120.2° | 120.0° |
| CAN | CAM | NAO | H10 | 25.9° | 16.0° |
| OAC | SAW | NAO | CAM | 30.2° | 178.5° |
| OAC | SAW | OAD | NAO | 121.6° | 122.9° |
| OAC | SAW | OAD | CAU | 123.3° | 123.0° |
| OAC | SAW | NAO | CAU | 118.2° | 113.5° |
| OAC | SAW | CAU | CAH | 7.0° | 130.5° |
| OAC | SAW | CAU | CAV | 171.4° | 49.7° |
| OAC | SAW | NAO | H10 | 89.8° | 1.6° |
| CAM | NAO | SAW | OAD | 91.6° | 48.6° |
| CAM | NAO | SAW | H10 | 120.0° | 179.9° |
| CAM | NAO | SAW | CAU | 148.4° | 64.9° |
| NAO | CAM | CAN | H6 | 42.1° | 60.0° |
| NAO | CAM | CAN | H7 | 79.4° | 59.9° |
| NAO | CAM | H8 | H9 | 120.2° | 120.0° |
| OAD | SAW | NAO | CAU | 120.0° | 113.5° |
| OAD | SAW | CAU | CAH | 116.6° | 2.4° |
| OAD | SAW | CAU | CAV | 65.0° | 177.4° |
| OAD | SAW | NAO | H10 | 148.4° | 131.3° |
| NAO | SAW | CAU | CAH | 125.3° | 116.0° |
| NAO | SAW | CAU | CAV | 53.1° | 63.8° |
| SAW | NAO | CAM | H8 | 146.0° | 44.1° |
| SAW | NAO | CAM | H9 | 25.9° | 76.0° |
| SAW | CAU | CAH | CAV | 178.6° | 179.8° |
| SAW | CAU | CAH | CAG | 179.6° | 179.9° |
| SAW | CAU | CAV | CAR | 0.5° | 0.1° |
| SAW | CAU | CAV | SAP | 179.1° | 179.9° |
| CAU | SAW | NAO | H10 | 28.4° | 115.1° |
| SAW | CAU | CAH | H11 | 0.4° | 0.0° |
| CAU | CAH | CAG | H11 | 180.0° | 179.9° |
| CAU | CAH | CAG | SAP | 1.0° | 0.0° |
| CAH | CAU | CAV | CAR | 178.0° | 179.7° |
| CAH | CAU | CAV | SAP | 0.6° | 0.3° |
| CAU | CAH | CAG | H12 | 179.0° | 179.9° |
| CAG | CAH | CAU | CAV | 1.0° | 0.3° |
| CAH | CAG | SAP | H12 | 180.0° | 180.0° |
| CAH | CAG | SAP | CAV | 0.6° | 0.1° |
| CAU | CAV | SAP | CAG | 0.0° | 0.3° |
| CAU | CAV | CAR | OAB | 0.3° | 5.7° |
| CAU | CAV | CAR | SAP | 178.4° | 180.0° |
| CAU | CAV | CAR | OAF | 177.0° | 174.2° |
| CAV | CAU | CAH | H11 | 179.0° | 179.8° |
| CAG | SAP | CAV | CAR | 178.8° | 179.8° |
| SAP | CAG | CAH | H11 | 179.0° | 180.0° |
| OAB | CAR | CAV | OAF | 177.3° | 180.0° |
| OAB | CAR | CAV | SAP | 178.7° | 174.3° |
| OAB | CAR | OAF | H13 | 0.0° | 0.0° |
| CAV | CAR | OAF | H13 | 177.0° | 180.0° |
| SAP | CAV | CAR | OAF | 1.4° | 5.7° |
| CAV | SAP | CAG | H12 | 179.4° | 179.9° |
| H1 | CAI | CAK | H2 | 1.7° | 0.3° |
| H4 | CAL | CAJ | H5 | 0.1° | 0.0° |
| H6 | CAN | CAM | H8 | 162.1° | 180.0° |
| H6 | CAN | CAM | H9 | 77.8° | 60.0° |
| H7 | CAN | CAM | H8 | 40.5° | 60.0° |
| H7 | CAN | CAM | H9 | 160.6° | 179.9° |
| H8 | CAM | NAO | H10 | 94.0° | 135.9° |
| H9 | CAM | NAO | H10 | 145.9° | 104.1° |
| H11 | CAH | CAG | H12 | 1.0° | 0.0° |
