2M9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | SBC | doub | 1.42Å | 1.45Å | |
| OAD | SBD | doub | 1.42Å | 1.49Å | |
| OAB | SBC | doub | 1.42Å | 1.44Å | |
| SBC | OAI | sing | 1.52Å | 1.47Å | |
| SBC | CAS | sing | 1.76Å | 1.69Å | |
| CAM | CAS | doub | 1.32Å | 1.44Å | Aromatic |
| CAM | CAT | sing | 1.47Å | 1.43Å | Aromatic |
| OAC | SBD | doub | 1.42Å | 1.48Å | |
| SBD | CAT | sing | 1.76Å | 1.64Å | |
| SBD | OAJ | sing | 1.52Å | 1.48Å | |
| CAS | CAW | sing | 1.47Å | 1.41Å | Aromatic |
| CAT | CAX | doub | 1.31Å | 1.44Å | Aromatic |
| CAW | CAO | doub | 1.31Å | 1.41Å | Aromatic |
| CAW | CBA | sing | 1.48Å | 1.45Å | Aromatic |
| CAO | CAP | sing | 1.48Å | 1.39Å | Aromatic |
| CAX | CBA | sing | 1.47Å | 1.43Å | Aromatic |
| CAX | CAQ | sing | 1.47Å | 1.42Å | Aromatic |
| CBA | CBB | doub | 1.30Å | 1.43Å | Aromatic |
| CAQ | CAR | doub | 1.32Å | 1.38Å | Aromatic |
| CAP | CAY | doub | 1.31Å | 1.42Å | Aromatic |
| CBB | CAY | sing | 1.48Å | 1.40Å | Aromatic |
| CBB | CAZ | sing | 1.47Å | 1.40Å | Aromatic |
| CAR | CAZ | sing | 1.47Å | 1.40Å | Aromatic |
| CAY | CAU | sing | 1.47Å | 1.43Å | Aromatic |
| CAZ | CAV | doub | 1.31Å | 1.39Å | Aromatic |
| OAE | SBE | doub | 1.42Å | 1.51Å | |
| CAU | SBE | sing | 1.76Å | 1.65Å | |
| CAU | CAN | doub | 1.32Å | 1.41Å | Aromatic |
| CAV | CAN | sing | 1.47Å | 1.41Å | Aromatic |
| CAV | OBF | sing | 1.36Å | 1.39Å | |
| SBE | OAK | doub | 1.42Å | 1.46Å | |
| SBE | OAF | sing | 1.52Å | 1.47Å | |
| OBF | CAG | sing | 1.43Å | 1.43Å | |
| CAM | H1 | sing | 1.08Å | 1.08Å | |
| CAO | H2 | sing | 1.08Å | 1.08Å | |
| CAP | H3 | sing | 1.08Å | 1.08Å | |
| CAQ | H4 | sing | 1.08Å | 1.08Å | |
| CAR | H5 | sing | 1.08Å | 1.08Å | |
| CAG | H6 | sing | 1.09Å | 1.10Å | |
| CAG | H7 | sing | 1.09Å | 1.10Å | |
| CAG | H8 | sing | 1.09Å | 1.10Å | |
| CAN | H9 | sing | 1.08Å | 1.08Å | |
| OAJ | H10 | sing | 0.97Å | 0.95Å | |
| OAI | H11 | sing | 0.97Å | 0.95Å | |
| OAF | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | SBC | OAB | 115.8° | 123.2° |
| OAA | SBC | OAI | 108.7° | 106.4° |
| OAA | SBC | CAS | 106.4° | 106.4° |
| OAD | SBD | OAC | 106.2° | 123.2° |
| OAD | SBD | CAT | 113.2° | 106.4° |
| OAD | SBD | OAJ | 102.1° | 106.4° |
| OAB | SBC | OAI | 108.9° | 106.4° |
| OAB | SBC | CAS | 108.4° | 106.4° |
| OAI | SBC | CAS | 108.3° | 107.2° |
| SBC | OAI | H11 | 109.5° | 114.0° |
| SBC | CAS | CAM | 120.8° | 120.3° |
| SBC | CAS | CAW | 122.4° | 120.3° |
| CAS | CAM | CAT | 125.1° | 122.8° |
| CAM | CAS | CAW | 116.8° | 119.4° |
| CAS | CAM | H1 | 117.5° | 118.6° |
| CAM | CAT | SBD | 118.2° | 119.0° |
| CAM | CAT | CAX | 116.5° | 122.0° |
| CAT | CAM | H1 | 117.4° | 118.6° |
| OAC | SBD | CAT | 111.1° | 106.4° |
| OAC | SBD | OAJ | 115.8° | 106.4° |
| CAT | SBD | OAJ | 108.3° | 107.2° |
| SBD | CAT | CAX | 125.3° | 119.0° |
| SBD | OAJ | H10 | 109.5° | 114.0° |
| CAS | CAW | CAO | 121.6° | 122.7° |
| CAS | CAW | CBA | 120.7° | 117.6° |
| CAT | CAX | CBA | 120.1° | 119.0° |
| CAT | CAX | CAQ | 121.3° | 121.8° |
| CAO | CAW | CBA | 117.6° | 119.8° |
| CAW | CAO | CAP | 122.7° | 120.0° |
| CAW | CAO | H2 | 118.7° | 120.0° |
| CAW | CBA | CAX | 120.7° | 119.2° |
| CAW | CBA | CBB | 118.7° | 120.2° |
| CAO | CAP | CAY | 120.8° | 120.0° |
| CAP | CAO | H2 | 118.7° | 120.0° |
| CAO | CAP | H3 | 119.6° | 120.0° |
| CBA | CAX | CAQ | 118.5° | 119.2° |
| CAX | CBA | CBB | 120.6° | 120.6° |
| CAX | CAQ | CAR | 120.2° | 120.2° |
| CAX | CAQ | H4 | 120.0° | 119.9° |
| CBA | CBB | CAY | 122.5° | 120.3° |
| CBA | CBB | CAZ | 118.3° | 120.6° |
| CAQ | CAR | CAZ | 121.5° | 120.3° |
| CAR | CAQ | H4 | 119.9° | 119.9° |
| CAQ | CAR | H5 | 119.3° | 119.8° |
| CAP | CAY | CBB | 117.8° | 119.7° |
| CAP | CAY | CAU | 121.0° | 122.7° |
| CAY | CAP | H3 | 119.7° | 120.0° |
| CAY | CBB | CAZ | 119.2° | 119.2° |
| CBB | CAY | CAU | 121.2° | 117.6° |
| CBB | CAZ | CAR | 120.9° | 119.2° |
| CBB | CAZ | CAV | 121.0° | 119.0° |
| CAR | CAZ | CAV | 118.1° | 121.8° |
| CAZ | CAR | H5 | 119.2° | 119.9° |
| CAY | CAU | SBE | 124.2° | 120.3° |
| CAY | CAU | CAN | 117.8° | 119.3° |
| CAZ | CAV | CAN | 120.2° | 122.0° |
| CAZ | CAV | OBF | 116.2° | 119.0° |
| OAE | SBE | CAU | 107.2° | 106.5° |
| OAE | SBE | OAK | 107.7° | 123.2° |
| OAE | SBE | OAF | 103.5° | 106.4° |
| SBE | CAU | CAN | 117.9° | 120.4° |
| CAU | SBE | OAK | 117.6° | 106.4° |
| CAU | SBE | OAF | 109.3° | 107.2° |
| CAU | CAN | CAV | 120.5° | 122.8° |
| CAU | CAN | H9 | 119.8° | 118.6° |
| CAN | CAV | OBF | 123.6° | 119.0° |
| CAV | CAN | H9 | 119.8° | 118.6° |
| CAV | OBF | CAG | 121.3° | 117.0° |
| OAK | SBE | OAF | 110.5° | 106.4° |
| SBE | OAF | H12 | 109.5° | 114.1° |
| OBF | CAG | H6 | 109.5° | 109.5° |
| OBF | CAG | H7 | 109.5° | 109.5° |
| OBF | CAG | H8 | 109.5° | 109.5° |
| H6 | CAG | H7 | 109.5° | 109.5° |
| H6 | CAG | H8 | 109.5° | 109.5° |
| H7 | CAG | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | SBC | OAB | OAI | 122.9° | 123.0° |
| OAA | SBC | OAB | CAS | 119.4° | 122.9° |
| OAA | SBC | OAI | CAS | 115.3° | 113.5° |
| OAA | SBC | CAS | CAM | 4.5° | 149.6° |
| OAA | SBC | CAS | CAW | 174.9° | 30.5° |
| OAA | SBC | OAI | H11 | 127.0° | 66.5° |
| OAD | SBD | CAT | CAM | 5.6° | 14.2° |
| OAD | SBD | OAC | CAT | 123.4° | 123.0° |
| OAD | SBD | OAC | OAJ | 112.5° | 123.0° |
| OAD | SBD | CAT | OAJ | 112.5° | 113.5° |
| OAD | SBD | CAT | CAX | 176.3° | 166.0° |
| OAD | SBD | OAJ | H10 | 0.0° | 66.5° |
| OAB | SBC | OAI | CAS | 117.7° | 113.5° |
| OAB | SBC | CAS | CAM | 120.6° | 16.6° |
| OAB | SBC | CAS | CAW | 59.9° | 163.4° |
| OAB | SBC | OAI | H11 | 0.0° | 66.5° |
| OAI | SBC | CAS | CAM | 121.3° | 96.9° |
| OAI | SBC | CAS | CAW | 58.2° | 83.1° |
| SBC | CAS | CAM | CAW | 179.5° | 180.0° |
| SBC | CAS | CAM | CAT | 180.0° | 180.0° |
| SBC | CAS | CAW | CAO | 1.8° | 0.1° |
| SBC | CAS | CAW | CBA | 179.7° | 180.0° |
| SBC | CAS | CAM | H1 | 0.0° | 0.0° |
| CAS | SBC | OAI | H11 | 117.7° | 180.0° |
| CAS | CAM | CAT | H1 | 180.0° | 179.9° |
| CAS | CAM | CAT | SBD | 179.3° | 180.0° |
| CAS | CAM | CAT | CAX | 1.0° | 0.2° |
| CAM | CAS | CAW | CAO | 178.8° | 180.0° |
| CAM | CAS | CAW | CBA | 0.9° | 0.0° |
| CAM | CAT | SBD | OAC | 124.9° | 147.2° |
| CAM | CAT | SBD | CAX | 178.1° | 179.8° |
| CAM | CAT | SBD | OAJ | 106.8° | 99.3° |
| CAT | CAM | CAS | CAW | 0.5° | 0.0° |
| CAM | CAT | CAX | CBA | 1.9° | 0.4° |
| CAM | CAT | CAX | CAQ | 178.3° | 179.8° |
| OAC | SBD | CAT | OAJ | 128.3° | 113.5° |
| OAC | SBD | CAT | CAX | 57.0° | 33.0° |
| OAC | SBD | OAJ | H10 | 114.8° | 66.5° |
| SBD | CAT | CAX | CBA | 180.0° | 179.8° |
| SBD | CAT | CAX | CAQ | 3.6° | 0.0° |
| SBD | CAT | CAM | H1 | 0.7° | 0.1° |
| CAT | SBD | OAJ | H10 | 119.7° | 180.0° |
| OAJ | SBD | CAT | CAX | 71.2° | 80.5° |
| CAS | CAW | CAO | CBA | 178.0° | 179.9° |
| CAS | CAW | CAO | CAP | 179.8° | 180.0° |
| CAS | CAW | CBA | CAX | 1.8° | 0.2° |
| CAS | CAW | CBA | CBB | 179.2° | 180.0° |
| CAW | CAS | CAM | H1 | 179.5° | 180.0° |
| CAS | CAW | CAO | H2 | 0.2° | 0.0° |
| CAT | CAX | CBA | CAW | 2.4° | 0.4° |
| CAT | CAX | CBA | CAQ | 176.5° | 179.8° |
| CAT | CAX | CBA | CBB | 178.7° | 179.8° |
| CAT | CAX | CAQ | CAR | 179.2° | 179.9° |
| CAX | CAT | CAM | H1 | 179.0° | 179.8° |
| CAT | CAX | CAQ | H4 | 0.7° | 0.0° |
| CAW | CAO | CAP | H2 | 180.0° | 179.9° |
| CAO | CAW | CBA | CAX | 179.8° | 179.8° |
| CAO | CAW | CBA | CBB | 1.2° | 0.0° |
| CAW | CAO | CAP | CAY | 1.2° | 0.1° |
| CAW | CAO | CAP | H3 | 178.8° | 180.0° |
| CBA | CAW | CAO | CAP | 1.8° | 0.1° |
| CAW | CBA | CAX | CBB | 179.0° | 179.8° |
| CAW | CBA | CAX | CAQ | 178.9° | 179.7° |
| CAW | CBA | CBB | CAY | 0.0° | 0.1° |
| CAW | CBA | CBB | CAZ | 179.0° | 180.0° |
| CBA | CAW | CAO | H2 | 178.2° | 180.0° |
| CAO | CAP | CAY | H3 | 180.0° | 179.9° |
| CAO | CAP | CAY | CBB | 0.0° | 0.0° |
| CAO | CAP | CAY | CAU | 178.3° | 179.9° |
| CBA | CAX | CAQ | CAR | 2.8° | 0.2° |
| CAX | CBA | CBB | CAY | 179.0° | 179.7° |
| CAX | CBA | CBB | CAZ | 0.0° | 0.2° |
| CBA | CAX | CAQ | H4 | 177.2° | 179.8° |
| CAQ | CAX | CBA | CBB | 2.2° | 0.1° |
| CAX | CAQ | CAR | H4 | 180.0° | 180.0° |
| CAX | CAQ | CAR | CAZ | 1.3° | 0.8° |
| CAX | CAQ | CAR | H5 | 178.7° | 179.9° |
| CBA | CBB | CAY | CAP | 0.6° | 0.1° |
| CBA | CBB | CAY | CAZ | 179.1° | 179.9° |
| CBA | CBB | CAZ | CAR | 1.5° | 0.7° |
| CBA | CBB | CAY | CAU | 177.7° | 180.0° |
| CBA | CBB | CAZ | CAV | 179.8° | 180.0° |
| CAQ | CAR | CAZ | CBB | 1.0° | 1.0° |
| CAQ | CAR | CAZ | H5 | 180.0° | 179.2° |
| CAQ | CAR | CAZ | CAV | 179.3° | 179.7° |
| CAP | CAY | CBB | CAU | 178.3° | 179.9° |
| CAP | CAY | CBB | CAZ | 179.7° | 180.0° |
| CAP | CAY | CAU | SBE | 1.7° | 0.0° |
| CAP | CAY | CAU | CAN | 177.9° | 179.8° |
| CAY | CAP | CAO | H2 | 178.8° | 180.0° |
| CAY | CBB | CAZ | CAR | 179.4° | 179.2° |
| CAY | CBB | CAZ | CAV | 1.1° | 0.1° |
| CBB | CAY | CAU | SBE | 179.9° | 180.0° |
| CBB | CAY | CAU | CAN | 3.8° | 0.1° |
| CBB | CAY | CAP | H3 | 180.0° | 179.9° |
| CBB | CAZ | CAR | CAV | 178.3° | 179.2° |
| CAZ | CBB | CAY | CAU | 1.4° | 0.0° |
| CBB | CAZ | CAV | CAN | 0.9° | 0.1° |
| CBB | CAZ | CAV | OBF | 179.4° | 180.0° |
| CBB | CAZ | CAR | H5 | 179.0° | 179.8° |
| CAR | CAZ | CAV | CAN | 179.3° | 179.3° |
| CAR | CAZ | CAV | OBF | 1.0° | 0.8° |
| CAZ | CAR | CAQ | H4 | 178.7° | 179.3° |
| CAY | CAU | SBE | OAE | 63.8° | 36.5° |
| CAY | CAU | SBE | CAN | 176.2° | 179.8° |
| CAY | CAU | CAN | CAV | 4.0° | 0.3° |
| CAY | CAU | SBE | OAK | 57.6° | 96.5° |
| CAY | CAU | SBE | OAF | 175.4° | 150.0° |
| CAU | CAY | CAP | H3 | 1.7° | 0.0° |
| CAY | CAU | CAN | H9 | 176.1° | 179.9° |
| CAZ | CAV | CAN | CAU | 1.7° | 0.3° |
| CAZ | CAV | CAN | OBF | 179.7° | 179.9° |
| CAZ | CAV | OBF | CAG | 154.1° | 180.0° |
| CAV | CAZ | CAR | H5 | 0.7° | 0.6° |
| CAZ | CAV | CAN | H9 | 178.4° | 179.9° |
| OAE | SBE | CAU | OAK | 121.4° | 133.0° |
| OAE | SBE | CAU | OAF | 111.5° | 113.5° |
| OAE | SBE | CAU | CAN | 112.4° | 143.7° |
| OAE | SBE | OAK | OAF | 112.4° | 122.9° |
| OAE | SBE | OAF | H12 | 0.0° | 66.5° |
| SBE | CAU | CAN | CAV | 179.6° | 179.9° |
| CAU | SBE | OAK | OAF | 126.5° | 114.1° |
| SBE | CAU | CAN | H9 | 0.4° | 0.1° |
| CAU | SBE | OAF | H12 | 113.9° | 179.9° |
| CAU | CAN | CAV | H9 | 180.0° | 179.8° |
| CAU | CAN | CAV | OBF | 178.0° | 179.8° |
| CAN | CAU | SBE | OAK | 126.2° | 83.4° |
| CAN | CAU | SBE | OAF | 0.9° | 30.1° |
| CAN | CAV | OBF | CAG | 26.2° | 0.0° |
| CAV | OBF | CAG | H6 | 180.0° | 60.0° |
| CAV | OBF | CAG | H7 | 60.0° | 179.9° |
| CAV | OBF | CAG | H8 | 60.0° | 60.0° |
| OBF | CAV | CAN | H9 | 2.0° | 0.0° |
| OAK | SBE | OAF | H12 | 115.1° | 66.4° |
| OBF | CAG | H6 | H7 | 120.0° | 120.0° |
| OBF | CAG | H6 | H8 | 120.0° | 120.0° |
| OBF | CAG | H7 | H8 | 120.0° | 120.0° |
| H2 | CAO | CAP | H3 | 1.2° | 0.1° |
| H4 | CAQ | CAR | H5 | 1.3° | 0.1° |
| H6 | CAG | H7 | H8 | 120.0° | 120.0° |
