8ME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAG | CAK | doub | 1.38Å | 1.41Å | Aromatic |
| CAG | CAF | sing | 1.39Å | 1.41Å | Aromatic |
| CAK | CAW | sing | 1.39Å | 1.37Å | Aromatic |
| CAF | CAJ | doub | 1.38Å | 1.39Å | Aromatic |
| OAC | CAU | doub | 1.22Å | 1.27Å | |
| CAW | CAU | sing | 1.47Å | 1.40Å | |
| CAW | CAV | doub | 1.41Å | 1.40Å | Aromatic |
| CAJ | CAV | sing | 1.40Å | 1.42Å | Aromatic |
| CAU | NAQ | sing | 1.35Å | 1.37Å | |
| CAV | NAO | sing | 1.36Å | 1.36Å | |
| CAH | NAN | doub | 1.32Å | 1.31Å | Aromatic |
| CAH | CAD | sing | 1.38Å | 1.40Å | Aromatic |
| NAQ | CAS | sing | 1.36Å | 1.38Å | |
| NAO | CAS | doub | 1.30Å | 1.35Å | |
| CAL | CAM | sing | 1.53Å | 1.52Å | |
| CAL | CAR | sing | 1.51Å | 1.53Å | |
| NAN | CAT | sing | 1.32Å | 1.36Å | Aromatic |
| CAD | CAE | doub | 1.39Å | 1.37Å | Aromatic |
| CAS | CAM | sing | 1.51Å | 1.49Å | |
| CAR | NAP | sing | 1.35Å | 1.32Å | |
| CAR | OAB | doub | 1.21Å | 1.22Å | |
| NAP | CAX | sing | 1.47Å | 1.47Å | |
| CAT | CAI | doub | 1.38Å | 1.39Å | Aromatic |
| CAT | CAX | sing | 1.51Å | 1.51Å | |
| CAE | CAI | sing | 1.39Å | 1.39Å | Aromatic |
| CAX | CAA | sing | 1.53Å | 1.53Å | |
| CAI | H1 | sing | 1.08Å | 1.08Å | |
| CAE | H2 | sing | 1.08Å | 1.08Å | |
| CAD | H3 | sing | 1.08Å | 1.08Å | |
| CAH | H4 | sing | 1.08Å | 1.08Å | |
| CAX | H5 | sing | 1.09Å | 1.10Å | |
| CAA | H6 | sing | 1.09Å | 1.10Å | |
| CAA | H7 | sing | 1.09Å | 1.10Å | |
| CAA | H8 | sing | 1.09Å | 1.10Å | |
| NAP | H9 | sing | 0.97Å | 1.00Å | |
| CAL | H10 | sing | 1.09Å | 1.10Å | |
| CAL | H11 | sing | 1.09Å | 1.10Å | |
| CAM | H12 | sing | 1.09Å | 1.10Å | |
| CAM | H13 | sing | 1.09Å | 1.10Å | |
| CAJ | H14 | sing | 1.08Å | 1.08Å | |
| CAF | H15 | sing | 1.08Å | 1.08Å | |
| CAG | H16 | sing | 1.08Å | 1.08Å | |
| CAK | H17 | sing | 1.08Å | 1.08Å | |
| NAQ | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAK | CAG | CAF | 120.3° | 120.5° |
| CAG | CAK | CAW | 121.7° | 119.5° |
| CAK | CAG | H16 | 119.9° | 119.7° |
| CAG | CAK | H17 | 119.1° | 120.2° |
| CAG | CAF | CAJ | 117.5° | 120.9° |
| CAG | CAF | H15 | 121.2° | 119.5° |
| CAF | CAG | H16 | 119.8° | 119.8° |
| CAK | CAW | CAU | 119.9° | 122.0° |
| CAK | CAW | CAV | 118.7° | 120.1° |
| CAW | CAK | H17 | 119.2° | 120.2° |
| CAF | CAJ | CAV | 122.0° | 119.6° |
| CAF | CAJ | H14 | 119.0° | 120.1° |
| CAJ | CAF | H15 | 121.2° | 119.6° |
| OAC | CAU | CAW | 123.6° | 121.3° |
| OAC | CAU | NAQ | 121.4° | 121.3° |
| CAU | CAW | CAV | 121.3° | 118.0° |
| CAW | CAU | NAQ | 115.0° | 117.4° |
| CAW | CAV | CAJ | 119.6° | 119.4° |
| CAW | CAV | NAO | 121.2° | 119.0° |
| CAJ | CAV | NAO | 119.0° | 121.6° |
| CAV | CAJ | H14 | 119.0° | 120.2° |
| CAU | NAQ | CAS | 123.3° | 120.6° |
| CAU | NAQ | H18 | 118.4° | 119.7° |
| CAV | NAO | CAS | 117.7° | 121.6° |
| NAN | CAH | CAD | 121.7° | 120.8° |
| CAH | NAN | CAT | 119.6° | 121.8° |
| NAN | CAH | H4 | 119.2° | 119.7° |
| CAH | CAD | CAE | 120.7° | 119.2° |
| CAH | CAD | H3 | 119.6° | 120.4° |
| CAD | CAH | H4 | 119.2° | 119.6° |
| NAQ | CAS | NAO | 121.4° | 123.4° |
| NAQ | CAS | CAM | 115.8° | 118.3° |
| CAS | NAQ | H18 | 118.4° | 119.7° |
| NAO | CAS | CAM | 122.8° | 118.3° |
| CAM | CAL | CAR | 107.1° | 109.5° |
| CAL | CAM | CAS | 113.4° | 109.5° |
| CAM | CAL | H10 | 110.1° | 109.4° |
| CAM | CAL | H11 | 110.1° | 109.5° |
| CAL | CAM | H12 | 108.5° | 109.4° |
| CAL | CAM | H13 | 108.5° | 109.5° |
| CAL | CAR | NAP | 117.4° | 120.0° |
| CAL | CAR | OAB | 120.5° | 120.0° |
| CAR | CAL | H10 | 110.1° | 109.4° |
| CAR | CAL | H11 | 110.1° | 109.5° |
| NAN | CAT | CAI | 120.2° | 120.7° |
| NAN | CAT | CAX | 119.2° | 119.7° |
| CAD | CAE | CAI | 116.7° | 118.4° |
| CAD | CAE | H2 | 121.6° | 120.8° |
| CAE | CAD | H3 | 119.7° | 120.4° |
| CAS | CAM | H12 | 108.5° | 109.5° |
| CAS | CAM | H13 | 108.5° | 109.5° |
| NAP | CAR | OAB | 122.0° | 120.0° |
| CAR | NAP | CAX | 120.2° | 120.0° |
| CAR | NAP | H9 | 119.9° | 120.0° |
| NAP | CAX | CAT | 111.6° | 109.4° |
| NAP | CAX | CAA | 108.1° | 109.5° |
| NAP | CAX | H5 | 111.1° | 109.4° |
| CAX | NAP | H9 | 119.9° | 120.0° |
| CAI | CAT | CAX | 120.5° | 119.6° |
| CAT | CAI | CAE | 121.0° | 119.2° |
| CAT | CAI | H1 | 119.5° | 120.4° |
| CAT | CAX | CAA | 105.2° | 109.5° |
| CAT | CAX | H5 | 110.5° | 109.5° |
| CAE | CAI | H1 | 119.5° | 120.4° |
| CAI | CAE | H2 | 121.7° | 120.7° |
| CAA | CAX | H5 | 110.1° | 109.5° |
| CAX | CAA | H6 | 109.5° | 109.4° |
| CAX | CAA | H7 | 109.4° | 109.4° |
| CAX | CAA | H8 | 109.5° | 109.5° |
| H6 | CAA | H7 | 109.5° | 109.5° |
| H6 | CAA | H8 | 109.5° | 109.5° |
| H7 | CAA | H8 | 109.5° | 109.5° |
| H10 | CAL | H11 | 109.5° | 109.5° |
| H12 | CAM | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAK | CAG | CAF | H16 | 180.0° | 179.9° |
| CAG | CAK | CAW | H17 | 180.0° | 180.0° |
| CAK | CAG | CAF | CAJ | 2.1° | 0.1° |
| CAG | CAK | CAW | CAU | 178.6° | 180.0° |
| CAG | CAK | CAW | CAV | 2.0° | 0.1° |
| CAK | CAG | CAF | H15 | 177.9° | 179.9° |
| CAF | CAG | CAK | CAW | 1.5° | 0.1° |
| CAG | CAF | CAJ | H15 | 180.0° | 180.0° |
| CAG | CAF | CAJ | CAV | 0.8° | 0.0° |
| CAG | CAF | CAJ | H14 | 179.2° | 180.0° |
| CAF | CAG | CAK | H17 | 178.5° | 179.9° |
| CAK | CAW | CAU | OAC | 3.1° | 0.1° |
| CAK | CAW | CAU | CAV | 176.4° | 179.9° |
| CAK | CAW | CAV | CAJ | 4.9° | 0.0° |
| CAK | CAW | CAU | NAQ | 178.9° | 179.8° |
| CAK | CAW | CAV | NAO | 179.7° | 179.9° |
| CAW | CAK | CAG | H16 | 178.5° | 180.0° |
| CAF | CAJ | CAV | CAW | 4.3° | 0.0° |
| CAF | CAJ | CAV | H14 | 180.0° | 180.0° |
| CAF | CAJ | CAV | NAO | 179.9° | 179.9° |
| CAJ | CAF | CAG | H16 | 177.9° | 180.0° |
| OAC | CAU | CAW | NAQ | 178.1° | 179.7° |
| OAC | CAU | CAW | CAV | 179.5° | 180.0° |
| OAC | CAU | NAQ | CAS | 179.0° | 179.7° |
| OAC | CAU | NAQ | H18 | 0.9° | 0.3° |
| CAU | CAW | CAV | CAJ | 178.7° | 179.9° |
| CAU | CAW | CAV | NAO | 3.2° | 0.0° |
| CAW | CAU | NAQ | CAS | 0.9° | 0.6° |
| CAU | CAW | CAK | H17 | 1.4° | 0.1° |
| CAW | CAU | NAQ | H18 | 179.0° | 180.0° |
| CAW | CAV | CAJ | NAO | 175.6° | 179.9° |
| CAV | CAW | CAU | NAQ | 2.4° | 0.3° |
| CAW | CAV | NAO | CAS | 2.2° | 0.0° |
| CAW | CAV | CAJ | H14 | 175.6° | 180.0° |
| CAV | CAW | CAK | H17 | 177.9° | 180.0° |
| CAJ | CAV | NAO | CAS | 177.7° | 179.9° |
| CAV | CAJ | CAF | H15 | 179.2° | 180.0° |
| CAU | NAQ | CAS | H18 | 180.0° | 179.4° |
| CAU | NAQ | CAS | NAO | 0.1° | 0.6° |
| CAU | NAQ | CAS | CAM | 179.5° | 179.7° |
| CAV | NAO | CAS | NAQ | 0.7° | 0.3° |
| CAV | NAO | CAS | CAM | 180.0° | 179.9° |
| NAO | CAV | CAJ | H14 | 0.1° | 0.1° |
| NAN | CAH | CAD | H4 | 180.0° | 179.7° |
| NAN | CAH | CAD | CAE | 0.2° | 0.0° |
| CAH | NAN | CAT | CAI | 3.0° | 0.6° |
| CAH | NAN | CAT | CAX | 178.7° | 180.0° |
| NAN | CAH | CAD | H3 | 179.8° | 180.0° |
| CAD | CAH | NAN | CAT | 1.8° | 0.3° |
| CAH | CAD | CAE | H3 | 180.0° | 180.0° |
| CAH | CAD | CAE | CAI | 0.2° | 0.0° |
| CAH | CAD | CAE | H2 | 179.8° | 179.9° |
| NAQ | CAS | NAO | CAM | 179.3° | 179.7° |
| NAQ | CAS | CAM | CAL | 94.6° | 179.7° |
| NAQ | CAS | CAM | H12 | 144.8° | 59.7° |
| NAQ | CAS | CAM | H13 | 26.0° | 60.3° |
| NAO | CAS | CAM | CAL | 86.1° | 0.0° |
| NAO | CAS | CAM | H12 | 34.5° | 119.9° |
| NAO | CAS | CAM | H13 | 153.4° | 120.0° |
| NAO | CAS | NAQ | H18 | 179.9° | 180.0° |
| CAM | CAL | CAR | H10 | 119.6° | 119.9° |
| CAM | CAL | CAR | H11 | 119.6° | 120.0° |
| CAL | CAM | CAS | H12 | 120.6° | 120.0° |
| CAL | CAM | CAS | H13 | 120.6° | 120.0° |
| CAM | CAL | CAR | NAP | 110.8° | 180.0° |
| CAM | CAL | CAR | OAB | 66.9° | 0.1° |
| CAM | CAL | H10 | H11 | 121.1° | 120.0° |
| CAL | CAM | H12 | H13 | 118.2° | 120.0° |
| CAR | CAL | CAM | CAS | 172.4° | 180.0° |
| CAL | CAR | NAP | OAB | 177.7° | 179.9° |
| CAL | CAR | NAP | CAX | 178.1° | 180.0° |
| CAL | CAR | NAP | H9 | 2.0° | 0.0° |
| CAR | CAL | H10 | H11 | 121.1° | 120.1° |
| CAR | CAL | CAM | H12 | 51.8° | 60.1° |
| CAR | CAL | CAM | H13 | 67.1° | 60.0° |
| NAN | CAT | CAX | NAP | 57.7° | 25.0° |
| NAN | CAT | CAI | CAX | 175.7° | 179.4° |
| NAN | CAT | CAI | CAE | 2.6° | 0.6° |
| NAN | CAT | CAX | CAA | 59.3° | 95.0° |
| NAN | CAT | CAI | H1 | 177.4° | 179.7° |
| CAT | NAN | CAH | H4 | 178.2° | 180.0° |
| NAN | CAT | CAX | H5 | 178.1° | 144.9° |
| CAD | CAE | CAI | CAT | 1.0° | 0.3° |
| CAD | CAE | CAI | H2 | 180.0° | 179.9° |
| CAD | CAE | CAI | H1 | 179.0° | 179.9° |
| CAE | CAD | CAH | H4 | 179.8° | 179.7° |
| CAS | CAM | CAL | H10 | 52.7° | 60.0° |
| CAS | CAM | CAL | H11 | 68.0° | 60.0° |
| CAS | CAM | H12 | H13 | 118.2° | 120.0° |
| CAM | CAS | NAQ | H18 | 0.5° | 0.3° |
| CAR | NAP | CAX | H9 | 180.0° | 180.0° |
| CAR | NAP | CAX | CAT | 86.8° | 155.0° |
| CAR | NAP | CAX | CAA | 157.9° | 85.0° |
| CAR | NAP | CAX | H5 | 37.0° | 35.0° |
| NAP | CAR | CAL | H10 | 8.9° | 60.1° |
| NAP | CAR | CAL | H11 | 129.6° | 60.0° |
| OAB | CAR | NAP | CAX | 0.4° | 0.0° |
| OAB | CAR | NAP | H9 | 179.6° | 180.0° |
| OAB | CAR | CAL | H10 | 173.4° | 120.0° |
| OAB | CAR | CAL | H11 | 52.7° | 119.9° |
| NAP | CAX | CAT | CAI | 126.6° | 154.5° |
| NAP | CAX | CAT | CAA | 117.0° | 120.0° |
| NAP | CAX | CAT | H5 | 124.2° | 120.0° |
| NAP | CAX | CAA | H5 | 121.6° | 120.0° |
| NAP | CAX | CAA | H6 | 180.0° | 180.0° |
| NAP | CAX | CAA | H7 | 60.0° | 60.0° |
| NAP | CAX | CAA | H8 | 60.0° | 60.0° |
| CAT | CAI | CAE | H1 | 180.0° | 179.8° |
| CAI | CAT | CAX | CAA | 116.4° | 85.6° |
| CAT | CAI | CAE | H2 | 179.0° | 179.8° |
| CAI | CAT | CAX | H5 | 2.4° | 34.5° |
| CAX | CAT | CAI | CAE | 178.3° | 180.0° |
| CAT | CAX | CAA | H5 | 119.1° | 120.1° |
| CAX | CAT | CAI | H1 | 1.7° | 0.2° |
| CAT | CAX | CAA | H6 | 60.6° | 60.0° |
| CAT | CAX | CAA | H7 | 179.4° | 179.9° |
| CAT | CAX | CAA | H8 | 59.3° | 60.0° |
| CAT | CAX | NAP | H9 | 93.1° | 25.0° |
| CAI | CAE | CAD | H3 | 179.8° | 180.0° |
| CAX | CAA | H6 | H7 | 120.0° | 120.0° |
| CAX | CAA | H6 | H8 | 120.0° | 120.0° |
| CAX | CAA | H7 | H8 | 120.0° | 120.0° |
| CAA | CAX | NAP | H9 | 22.1° | 95.0° |
| H1 | CAI | CAE | H2 | 1.0° | 0.0° |
| H2 | CAE | CAD | H3 | 0.2° | 0.1° |
| H3 | CAD | CAH | H4 | 0.2° | 0.3° |
| H5 | CAX | CAA | H6 | 58.4° | 60.0° |
| H5 | CAX | CAA | H7 | 61.6° | 60.0° |
| H5 | CAX | CAA | H8 | 178.4° | 180.0° |
| H5 | CAX | NAP | H9 | 143.1° | 145.0° |
| H6 | CAA | H7 | H8 | 120.0° | 120.1° |
| H10 | CAL | CAM | H12 | 67.9° | 180.0° |
| H10 | CAL | CAM | H13 | 173.3° | 60.0° |
| H11 | CAL | CAM | H12 | 171.4° | 60.0° |
| H11 | CAL | CAM | H13 | 52.6° | 180.0° |
| H14 | CAJ | CAF | H15 | 0.8° | 0.0° |
| H15 | CAF | CAG | H16 | 2.1° | 0.1° |
| H16 | CAG | CAK | H17 | 1.4° | 0.0° |
