MUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAL | CAI | sing | 1.43Å | 1.43Å | |
| CAI | CAG | sing | 1.53Å | 1.53Å | |
| OAJ | CAG | sing | 1.43Å | 1.43Å | |
| CAG | CAE | sing | 1.53Å | 1.53Å | |
| CAE | OAB | sing | 1.45Å | 1.43Å | |
| OAB | CAA | sing | 1.35Å | 1.36Å | |
| OAD | CAA | doub | 1.22Å | 1.23Å | |
| CAA | CAC | sing | 1.47Å | 1.53Å | |
| CAC | CAF | doub | 1.33Å | 1.53Å | |
| CAF | CAH | sing | 1.51Å | 1.53Å | |
| CAH | CAK | sing | 1.53Å | 1.53Å | |
| CAK | CAM | sing | 1.53Å | 1.53Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAN | CAO | sing | 1.53Å | 1.53Å | |
| CAO | CAP | sing | 1.53Å | 1.53Å | |
| CAP | CAQ | sing | 1.53Å | 1.53Å | |
| CAR | CAQ | sing | 1.53Å | 1.53Å | |
| CAR | H1 | sing | 1.09Å | 1.10Å | |
| CAR | H2 | sing | 1.09Å | 1.10Å | |
| CAR | H3 | sing | 1.09Å | 1.10Å | |
| CAQ | H4 | sing | 1.09Å | 1.10Å | |
| CAQ | H5 | sing | 1.09Å | 1.10Å | |
| CAP | H6 | sing | 1.09Å | 1.10Å | |
| CAP | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.09Å | 1.10Å | |
| CAN | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAK | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAH | H16 | sing | 1.09Å | 1.10Å | |
| CAH | H17 | sing | 1.09Å | 1.10Å | |
| CAF | H18 | sing | 1.08Å | 1.08Å | |
| CAC | H20 | sing | 1.08Å | 1.08Å | |
| CAE | H22 | sing | 1.09Å | 1.10Å | |
| CAE | H23 | sing | 1.09Å | 1.10Å | |
| CAG | H24 | sing | 1.09Å | 1.10Å | |
| OAJ | H25 | sing | 0.97Å | 0.95Å | |
| CAI | H26 | sing | 1.09Å | 1.10Å | |
| CAI | H27 | sing | 1.09Å | 1.10Å | |
| OAL | H28 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAL | CAI | CAG | 109.5° | 109.5° |
| OAL | CAI | H26 | 109.5° | 109.5° |
| OAL | CAI | H27 | 109.5° | 109.5° |
| CAI | OAL | H28 | 109.5° | 114.0° |
| CAI | CAG | OAJ | 109.5° | 109.5° |
| CAI | CAG | CAE | 109.5° | 109.5° |
| CAI | CAG | H24 | 109.0° | 109.5° |
| CAG | CAI | H26 | 109.5° | 109.4° |
| CAG | CAI | H27 | 109.5° | 109.4° |
| OAJ | CAG | CAE | 109.5° | 109.4° |
| OAJ | CAG | H24 | 110.4° | 109.4° |
| CAG | OAJ | H25 | 109.5° | 114.0° |
| CAG | CAE | OAB | 109.6° | 109.5° |
| CAG | CAE | H22 | 109.4° | 109.5° |
| CAG | CAE | H23 | 109.4° | 109.5° |
| CAE | CAG | H24 | 109.0° | 109.5° |
| CAE | OAB | CAA | 110.0° | 117.0° |
| OAB | CAE | H22 | 109.4° | 109.5° |
| OAB | CAE | H23 | 109.5° | 109.4° |
| OAB | CAA | OAD | 123.7° | 120.0° |
| OAB | CAA | CAC | 114.8° | 120.0° |
| OAD | CAA | CAC | 120.8° | 120.0° |
| CAA | CAC | CAF | 115.4° | 120.0° |
| CAA | CAC | H20 | 122.3° | 120.0° |
| CAC | CAF | CAH | 115.4° | 120.0° |
| CAC | CAF | H18 | 122.3° | 120.0° |
| CAF | CAC | H20 | 122.3° | 120.0° |
| CAF | CAH | CAK | 109.6° | 109.5° |
| CAF | CAH | H16 | 109.4° | 109.4° |
| CAF | CAH | H17 | 109.4° | 109.4° |
| CAH | CAF | H18 | 122.3° | 120.0° |
| CAH | CAK | CAM | 109.1° | 109.5° |
| CAH | CAK | H14 | 109.6° | 109.4° |
| CAH | CAK | H15 | 109.6° | 109.5° |
| CAK | CAH | H16 | 109.4° | 109.5° |
| CAK | CAH | H17 | 109.4° | 109.5° |
| CAK | CAM | CAN | 109.2° | 109.5° |
| CAK | CAM | H12 | 109.5° | 109.4° |
| CAK | CAM | H13 | 109.5° | 109.5° |
| CAM | CAK | H14 | 109.6° | 109.5° |
| CAM | CAK | H15 | 109.5° | 109.5° |
| CAM | CAN | CAO | 109.2° | 109.5° |
| CAM | CAN | H10 | 109.6° | 109.4° |
| CAM | CAN | H11 | 109.5° | 109.5° |
| CAN | CAM | H12 | 109.5° | 109.4° |
| CAN | CAM | H13 | 109.5° | 109.5° |
| CAN | CAO | CAP | 109.6° | 109.5° |
| CAN | CAO | H8 | 109.5° | 109.5° |
| CAN | CAO | H9 | 109.4° | 109.5° |
| CAO | CAN | H10 | 109.5° | 109.5° |
| CAO | CAN | H11 | 109.6° | 109.5° |
| CAO | CAP | CAQ | 109.0° | 109.5° |
| CAO | CAP | H6 | 109.6° | 109.5° |
| CAO | CAP | H7 | 109.6° | 109.5° |
| CAP | CAO | H8 | 109.4° | 109.5° |
| CAP | CAO | H9 | 109.4° | 109.5° |
| CAP | CAQ | CAR | 109.2° | 109.5° |
| CAP | CAQ | H4 | 109.5° | 109.5° |
| CAP | CAQ | H5 | 109.6° | 109.5° |
| CAQ | CAP | H6 | 109.6° | 109.5° |
| CAQ | CAP | H7 | 109.6° | 109.5° |
| CAQ | CAR | H1 | 109.5° | 109.5° |
| CAQ | CAR | H2 | 109.4° | 109.5° |
| CAQ | CAR | H3 | 109.5° | 109.5° |
| CAR | CAQ | H4 | 109.5° | 109.4° |
| CAR | CAQ | H5 | 109.6° | 109.5° |
| H1 | CAR | H2 | 109.5° | 109.4° |
| H1 | CAR | H3 | 109.5° | 109.5° |
| H2 | CAR | H3 | 109.5° | 109.5° |
| H4 | CAQ | H5 | 109.5° | 109.5° |
| H6 | CAP | H7 | 109.5° | 109.5° |
| H8 | CAO | H9 | 109.5° | 109.4° |
| H10 | CAN | H11 | 109.4° | 109.4° |
| H12 | CAM | H13 | 109.5° | 109.5° |
| H14 | CAK | H15 | 109.5° | 109.5° |
| H16 | CAH | H17 | 109.5° | 109.5° |
| H22 | CAE | H23 | 109.5° | 109.5° |
| H26 | CAI | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAL | CAI | CAG | H26 | 120.0° | 120.0° |
| OAL | CAI | CAG | H27 | 120.0° | 120.0° |
| OAL | CAI | CAG | OAJ | 24.7° | 65.0° |
| OAL | CAI | CAG | CAE | 95.3° | 175.0° |
| OAL | CAI | CAG | H24 | 145.5° | 55.0° |
| OAL | CAI | H26 | H27 | 120.0° | 120.1° |
| CAI | CAG | OAJ | CAE | 120.0° | 120.0° |
| CAI | CAG | OAJ | H24 | 120.0° | 120.0° |
| CAI | CAG | CAE | H24 | 119.2° | 120.0° |
| CAI | CAG | CAE | OAB | 150.9° | 175.0° |
| CAI | CAG | CAE | H22 | 30.9° | 65.0° |
| CAI | CAG | CAE | H23 | 89.0° | 55.0° |
| CAI | CAG | OAJ | H25 | 180.0° | 59.9° |
| CAG | CAI | H26 | H27 | 120.0° | 119.9° |
| CAG | CAI | OAL | H28 | 180.0° | 180.0° |
| OAJ | CAG | CAE | H24 | 120.8° | 119.9° |
| OAJ | CAG | CAE | OAB | 89.1° | 65.0° |
| OAJ | CAG | CAE | H22 | 150.9° | 55.1° |
| OAJ | CAG | CAE | H23 | 31.0° | 175.1° |
| OAJ | CAG | CAI | H26 | 95.4° | 55.1° |
| OAJ | CAG | CAI | H27 | 144.7° | 175.0° |
| CAG | CAE | OAB | H22 | 120.0° | 120.0° |
| CAG | CAE | OAB | H23 | 120.0° | 120.0° |
| CAG | CAE | OAB | CAA | 67.2° | 180.0° |
| CAG | CAE | H22 | H23 | 119.9° | 120.0° |
| CAE | CAG | OAJ | H25 | 60.0° | 60.1° |
| CAE | CAG | CAI | H26 | 144.7° | 64.9° |
| CAE | CAG | CAI | H27 | 24.7° | 55.0° |
| CAE | OAB | CAA | OAD | 19.8° | 0.0° |
| CAE | OAB | CAA | CAC | 151.0° | 180.0° |
| OAB | CAE | H22 | H23 | 120.0° | 120.0° |
| OAB | CAE | CAG | H24 | 31.8° | 54.9° |
| OAB | CAA | OAD | CAC | 170.3° | 180.0° |
| OAB | CAA | CAC | CAF | 178.5° | 180.0° |
| OAB | CAA | CAC | H20 | 1.5° | 0.0° |
| CAA | OAB | CAE | H22 | 52.8° | 60.0° |
| CAA | OAB | CAE | H23 | 172.8° | 60.0° |
| OAD | CAA | CAC | CAF | 10.4° | 0.0° |
| OAD | CAA | CAC | H20 | 169.6° | 180.0° |
| CAA | CAC | CAF | H20 | 180.0° | 180.0° |
| CAA | CAC | CAF | CAH | 156.3° | 180.0° |
| CAA | CAC | CAF | H18 | 23.7° | 0.1° |
| CAC | CAF | CAH | H18 | 180.0° | 180.0° |
| CAC | CAF | CAH | CAK | 1.8° | 125.0° |
| CAC | CAF | CAH | H16 | 118.2° | 5.0° |
| CAC | CAF | CAH | H17 | 121.8° | 115.0° |
| CAF | CAH | CAK | H16 | 120.0° | 120.0° |
| CAF | CAH | CAK | H17 | 120.0° | 120.0° |
| CAF | CAH | CAK | CAM | 157.4° | 180.0° |
| CAF | CAH | CAK | H14 | 82.6° | 60.0° |
| CAF | CAH | CAK | H15 | 37.5° | 60.0° |
| CAF | CAH | H16 | H17 | 120.0° | 119.9° |
| CAH | CAF | CAC | H20 | 23.7° | 0.0° |
| CAH | CAK | CAM | H14 | 119.9° | 120.0° |
| CAH | CAK | CAM | H15 | 120.0° | 120.0° |
| CAH | CAK | CAM | CAN | 40.3° | 180.0° |
| CAH | CAK | CAM | H12 | 160.2° | 60.1° |
| CAH | CAK | CAM | H13 | 79.6° | 60.0° |
| CAH | CAK | H14 | H15 | 120.2° | 120.0° |
| CAK | CAH | H16 | H17 | 119.9° | 120.0° |
| CAK | CAH | CAF | H18 | 178.2° | 55.0° |
| CAK | CAM | CAN | H12 | 119.9° | 119.9° |
| CAK | CAM | CAN | H13 | 119.9° | 120.0° |
| CAK | CAM | CAN | CAO | 127.4° | 180.0° |
| CAK | CAM | CAN | H10 | 112.6° | 60.0° |
| CAK | CAM | CAN | H11 | 7.4° | 59.9° |
| CAK | CAM | H12 | H13 | 120.1° | 120.1° |
| CAM | CAK | H14 | H15 | 120.2° | 120.1° |
| CAM | CAK | CAH | H16 | 37.4° | 60.0° |
| CAM | CAK | CAH | H17 | 82.5° | 60.0° |
| CAM | CAN | CAO | H10 | 120.0° | 120.0° |
| CAM | CAN | CAO | H11 | 120.0° | 120.0° |
| CAM | CAN | CAO | CAP | 173.9° | 180.0° |
| CAM | CAN | CAO | H8 | 66.2° | 60.0° |
| CAM | CAN | CAO | H9 | 53.9° | 60.0° |
| CAM | CAN | H10 | H11 | 120.1° | 120.0° |
| CAN | CAM | H12 | H13 | 120.1° | 120.0° |
| CAN | CAM | CAK | H14 | 79.6° | 60.0° |
| CAN | CAM | CAK | H15 | 160.3° | 60.0° |
| CAN | CAO | CAP | H8 | 120.0° | 120.1° |
| CAN | CAO | CAP | H9 | 120.0° | 120.0° |
| CAN | CAO | CAP | CAQ | 136.7° | 180.0° |
| CAN | CAO | CAP | H6 | 16.8° | 60.0° |
| CAN | CAO | CAP | H7 | 103.4° | 60.0° |
| CAN | CAO | H8 | H9 | 120.0° | 120.0° |
| CAO | CAN | H10 | H11 | 120.1° | 120.0° |
| CAO | CAN | CAM | H12 | 7.5° | 60.0° |
| CAO | CAN | CAM | H13 | 112.7° | 60.0° |
| CAO | CAP | CAQ | H6 | 119.9° | 120.0° |
| CAO | CAP | CAQ | H7 | 119.9° | 120.0° |
| CAO | CAP | CAQ | CAR | 34.4° | 180.0° |
| CAO | CAP | CAQ | H4 | 154.3° | 60.0° |
| CAO | CAP | CAQ | H5 | 85.6° | 60.0° |
| CAO | CAP | H6 | H7 | 120.3° | 120.0° |
| CAP | CAO | H8 | H9 | 119.9° | 119.9° |
| CAP | CAO | CAN | H10 | 53.9° | 60.0° |
| CAP | CAO | CAN | H11 | 66.2° | 60.0° |
| CAP | CAQ | CAR | H4 | 119.9° | 120.0° |
| CAP | CAQ | CAR | H5 | 120.0° | 120.0° |
| CAP | CAQ | CAR | H1 | 180.0° | 60.0° |
| CAP | CAQ | CAR | H2 | 60.0° | 180.0° |
| CAP | CAQ | CAR | H3 | 60.0° | 60.0° |
| CAP | CAQ | H4 | H5 | 120.2° | 120.1° |
| CAQ | CAP | H6 | H7 | 120.2° | 120.0° |
| CAQ | CAP | CAO | H8 | 103.3° | 60.0° |
| CAQ | CAP | CAO | H9 | 16.7° | 60.0° |
| CAQ | CAR | H1 | H2 | 120.0° | 120.0° |
| CAQ | CAR | H1 | H3 | 120.0° | 120.0° |
| CAQ | CAR | H2 | H3 | 120.0° | 120.0° |
| CAR | CAQ | H4 | H5 | 120.1° | 120.0° |
| CAR | CAQ | CAP | H6 | 85.6° | 60.0° |
| CAR | CAQ | CAP | H7 | 154.3° | 60.0° |
| H1 | CAR | H2 | H3 | 120.0° | 120.0° |
| H1 | CAR | CAQ | H4 | 60.1° | 180.0° |
| H1 | CAR | CAQ | H5 | 60.0° | 60.0° |
| H2 | CAR | CAQ | H4 | 180.0° | 60.0° |
| H2 | CAR | CAQ | H5 | 60.0° | 60.0° |
| H3 | CAR | CAQ | H4 | 60.0° | 60.0° |
| H3 | CAR | CAQ | H5 | 179.9° | 180.0° |
| H4 | CAQ | CAP | H6 | 34.4° | 180.0° |
| H4 | CAQ | CAP | H7 | 85.8° | 60.0° |
| H5 | CAQ | CAP | H6 | 154.5° | 60.0° |
| H5 | CAQ | CAP | H7 | 34.3° | 180.0° |
| H6 | CAP | CAO | H8 | 136.8° | 179.9° |
| H6 | CAP | CAO | H9 | 103.2° | 60.0° |
| H7 | CAP | CAO | H8 | 16.6° | 60.1° |
| H7 | CAP | CAO | H9 | 136.6° | NaN° |
| H8 | CAO | CAN | H10 | 173.9° | 180.0° |
| H8 | CAO | CAN | H11 | 53.8° | 60.1° |
| H9 | CAO | CAN | H10 | 66.1° | 60.0° |
| H9 | CAO | CAN | H11 | 173.8° | 180.0° |
| H10 | CAN | CAM | H12 | 127.5° | 179.9° |
| H10 | CAN | CAM | H13 | 7.3° | 60.0° |
| H11 | CAN | CAM | H12 | 112.5° | 60.0° |
| H11 | CAN | CAM | H13 | 127.3° | 180.0° |
| H12 | CAM | CAK | H14 | 40.3° | 180.0° |
| H12 | CAM | CAK | H15 | 79.8° | 59.9° |
| H13 | CAM | CAK | H14 | 160.4° | 60.0° |
| H13 | CAM | CAK | H15 | 40.3° | NaN° |
| H14 | CAK | CAH | H16 | 157.4° | 180.0° |
| H14 | CAK | CAH | H17 | 37.4° | 60.0° |
| H15 | CAK | CAH | H16 | 82.5° | 60.0° |
| H15 | CAK | CAH | H17 | 157.5° | 180.0° |
| H16 | CAH | CAF | H18 | 61.8° | 175.0° |
| H17 | CAH | CAF | H18 | 58.2° | 65.0° |
| H18 | CAF | CAC | H20 | 156.3° | 180.0° |
| H22 | CAE | CAG | H24 | 88.3° | 175.0° |
| H23 | CAE | CAG | H24 | 151.8° | 65.0° |
| H24 | CAG | OAJ | H25 | 60.0° | 179.9° |
| H24 | CAG | CAI | H26 | 25.5° | 175.0° |
| H24 | CAG | CAI | H27 | 94.5° | 65.1° |
| H26 | CAI | OAL | H28 | 60.0° | 60.0° |
| H27 | CAI | OAL | H28 | 60.0° | 60.0° |
