8LX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBB | OBG | sing | 1.43Å | 1.44Å | |
| OBG | CAY | sing | 1.36Å | 1.37Å | |
| CAY | CBA | doub | 1.39Å | 1.39Å | Aromatic |
| CAY | CAZ | sing | 1.39Å | 1.39Å | Aromatic |
| CBA | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAW | doub | 1.38Å | 1.39Å | Aromatic |
| CAX | CAV | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAV | sing | 1.39Å | 1.39Å | Aromatic |
| CAV | OBF | sing | 1.36Å | 1.37Å | |
| OBF | C4 | sing | 1.36Å | 1.37Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | N1 | doub | 1.32Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | NAA | sing | 1.39Å | 1.33Å | |
| CAR | NAA | sing | 1.46Å | 1.47Å | |
| NAA | CAK | sing | 1.46Å | 1.48Å | |
| CAK | CAM | sing | 1.53Å | 1.54Å | |
| CAM | OBC | sing | 1.43Å | 1.41Å | |
| OBC | CAL | sing | 1.36Å | 1.36Å | |
| CAL | CAN | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | CAO | sing | 1.39Å | 1.40Å | Aromatic |
| CAN | CAI | sing | 1.38Å | 1.38Å | Aromatic |
| CAO | CAJ | doub | 1.38Å | 1.40Å | Aromatic |
| CAI | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| SBH | CAE | sing | 1.82Å | 1.81Å | |
| SBH | CAP | sing | 1.77Å | 1.68Å | |
| CAJ | CAG | sing | 1.38Å | 1.39Å | Aromatic |
| CAG | CAF | sing | 1.51Å | 1.41Å | |
| OBE | CAP | doub | 1.21Å | 1.23Å | |
| CAE | CAF | sing | 1.53Å | 1.55Å | |
| CAE | CAH | sing | 1.51Å | 1.42Å | |
| CAP | NAB | sing | 1.33Å | 1.34Å | |
| NAB | CAH | sing | 1.32Å | 1.35Å | |
| CAH | OBD | doub | 1.21Å | 1.23Å | |
| CAE | H1 | sing | 1.09Å | 1.10Å | |
| CAF | H2 | sing | 1.09Å | 1.10Å | |
| CAF | H3 | sing | 1.09Å | 1.10Å | |
| CAI | H4 | sing | 1.08Å | 1.08Å | |
| CAJ | H5 | sing | 1.08Å | 1.08Å | |
| CAK | H6 | sing | 1.09Å | 1.10Å | |
| CAK | H7 | sing | 1.09Å | 1.10Å | |
| CAM | H8 | sing | 1.09Å | 1.10Å | |
| CAM | H9 | sing | 1.09Å | 1.10Å | |
| CAN | H10 | sing | 1.08Å | 1.08Å | |
| CAO | H11 | sing | 1.08Å | 1.08Å | |
| CAR | H12 | sing | 1.09Å | 1.10Å | |
| CAR | H13 | sing | 1.09Å | 1.10Å | |
| CAR | H14 | sing | 1.09Å | 1.10Å | |
| CAW | H15 | sing | 1.08Å | 1.08Å | |
| CAX | H16 | sing | 1.08Å | 1.08Å | |
| CAZ | H17 | sing | 1.08Å | 1.08Å | |
| NAB | H18 | sing | 0.97Å | 1.00Å | |
| CBA | H19 | sing | 1.08Å | 1.08Å | |
| CBB | H20 | sing | 1.09Å | 1.10Å | |
| CBB | H21 | sing | 1.09Å | 1.10Å | |
| CBB | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBB | OBG | CAY | 111.5° | 117.0° |
| OBG | CBB | H20 | 109.5° | 109.5° |
| OBG | CBB | H21 | 109.5° | 109.4° |
| OBG | CBB | H22 | 109.5° | 109.5° |
| OBG | CAY | CBA | 120.4° | 120.0° |
| OBG | CAY | CAZ | 119.4° | 120.0° |
| CBA | CAY | CAZ | 120.2° | 120.0° |
| CAY | CBA | CAX | 120.2° | 120.0° |
| CAY | CBA | H19 | 119.9° | 120.0° |
| CAY | CAZ | CAW | 119.4° | 120.0° |
| CAY | CAZ | H17 | 120.3° | 120.0° |
| CBA | CAX | CAV | 119.7° | 120.0° |
| CBA | CAX | H16 | 120.2° | 120.0° |
| CAX | CBA | H19 | 119.9° | 120.0° |
| CAZ | CAW | CAV | 120.6° | 120.0° |
| CAZ | CAW | H15 | 119.7° | 120.0° |
| CAW | CAZ | H17 | 120.3° | 120.0° |
| CAX | CAV | CAW | 120.0° | 120.0° |
| CAX | CAV | OBF | 119.5° | 120.0° |
| CAV | CAX | H16 | 120.2° | 120.0° |
| CAW | CAV | OBF | 120.4° | 120.0° |
| CAV | CAW | H15 | 119.7° | 120.0° |
| CAV | OBF | C4 | 116.4° | 118.0° |
| OBF | C4 | N3 | 119.3° | 120.5° |
| OBF | C4 | C5 | 119.3° | 120.5° |
| N3 | C4 | C5 | 121.4° | 119.1° |
| C4 | N3 | C2 | 119.9° | 120.9° |
| C4 | C5 | C6 | 118.9° | 118.3° |
| C4 | C5 | H24 | 120.6° | 120.9° |
| N3 | C2 | N1 | 118.7° | 121.9° |
| N3 | C2 | H23 | 120.7° | 119.1° |
| C5 | C6 | N1 | 119.7° | 119.0° |
| C5 | C6 | NAA | 122.1° | 120.5° |
| C6 | C5 | H24 | 120.6° | 120.8° |
| C2 | N1 | C6 | 121.5° | 120.9° |
| N1 | C2 | H23 | 120.7° | 119.0° |
| N1 | C6 | NAA | 118.2° | 120.5° |
| C6 | NAA | CAR | 118.4° | 120.0° |
| C6 | NAA | CAK | 121.1° | 120.0° |
| CAR | NAA | CAK | 120.6° | 120.0° |
| NAA | CAR | H12 | 109.5° | 109.5° |
| NAA | CAR | H13 | 109.5° | 109.5° |
| NAA | CAR | H14 | 109.5° | 109.4° |
| NAA | CAK | CAM | 110.6° | 109.5° |
| NAA | CAK | H6 | 109.2° | 109.5° |
| NAA | CAK | H7 | 109.2° | 109.5° |
| CAK | CAM | OBC | 108.4° | 109.4° |
| CAM | CAK | H6 | 109.2° | 109.5° |
| CAM | CAK | H7 | 109.2° | 109.4° |
| CAK | CAM | H8 | 109.7° | 109.4° |
| CAK | CAM | H9 | 109.7° | 109.4° |
| CAM | OBC | CAL | 112.4° | 116.9° |
| OBC | CAM | H8 | 109.7° | 109.5° |
| OBC | CAM | H9 | 109.7° | 109.5° |
| OBC | CAL | CAN | 117.9° | 120.0° |
| OBC | CAL | CAO | 122.2° | 120.1° |
| CAN | CAL | CAO | 119.8° | 119.9° |
| CAL | CAN | CAI | 120.5° | 119.9° |
| CAL | CAN | H10 | 119.8° | 120.1° |
| CAL | CAO | CAJ | 119.7° | 120.0° |
| CAL | CAO | H11 | 120.1° | 120.1° |
| CAN | CAI | CAG | 120.5° | 120.1° |
| CAN | CAI | H4 | 119.8° | 120.0° |
| CAI | CAN | H10 | 119.8° | 120.0° |
| CAO | CAJ | CAG | 120.1° | 120.0° |
| CAO | CAJ | H5 | 120.0° | 120.0° |
| CAJ | CAO | H11 | 120.2° | 120.0° |
| CAI | CAG | CAJ | 119.4° | 120.1° |
| CAI | CAG | CAF | 119.0° | 120.0° |
| CAG | CAI | H4 | 119.7° | 119.9° |
| CAE | SBH | CAP | 94.0° | 94.3° |
| SBH | CAE | CAF | 113.0° | 110.7° |
| SBH | CAE | CAH | 102.7° | 103.0° |
| SBH | CAE | H1 | 107.6° | 110.8° |
| SBH | CAP | OBE | 124.3° | 126.1° |
| SBH | CAP | NAB | 111.5° | 107.7° |
| CAJ | CAG | CAF | 121.6° | 119.9° |
| CAG | CAJ | H5 | 120.0° | 120.0° |
| CAG | CAF | CAE | 113.9° | 109.5° |
| CAG | CAF | H2 | 108.3° | 109.5° |
| CAG | CAF | H3 | 108.4° | 109.5° |
| OBE | CAP | NAB | 124.1° | 126.2° |
| CAF | CAE | CAH | 110.3° | 110.7° |
| CAF | CAE | H1 | 110.6° | 110.6° |
| CAE | CAF | H2 | 108.4° | 109.5° |
| CAE | CAF | H3 | 108.3° | 109.5° |
| CAE | CAH | NAB | 117.6° | 113.8° |
| CAE | CAH | OBD | 122.7° | 123.1° |
| CAH | CAE | H1 | 112.5° | 110.7° |
| CAP | NAB | CAH | 114.0° | 121.3° |
| CAP | NAB | H18 | 123.0° | 119.3° |
| NAB | CAH | OBD | 119.5° | 123.1° |
| CAH | NAB | H18 | 123.0° | 119.4° |
| H2 | CAF | H3 | 109.5° | 109.5° |
| H6 | CAK | H7 | 109.5° | 109.4° |
| H8 | CAM | H9 | 109.5° | 109.5° |
| H12 | CAR | H13 | 109.5° | 109.5° |
| H12 | CAR | H14 | 109.5° | 109.5° |
| H13 | CAR | H14 | 109.5° | 109.5° |
| H20 | CBB | H21 | 109.5° | 109.5° |
| H20 | CBB | H22 | 109.5° | 109.4° |
| H21 | CBB | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBB | OBG | CAY | CBA | 3.0° | 180.0° |
| CBB | OBG | CAY | CAZ | 177.7° | 0.2° |
| OBG | CBB | H20 | H21 | 120.0° | 120.0° |
| OBG | CBB | H20 | H22 | 120.0° | 120.0° |
| OBG | CBB | H21 | H22 | 120.0° | 120.0° |
| OBG | CAY | CBA | CAZ | 179.2° | 179.8° |
| OBG | CAY | CBA | CAX | 179.9° | 179.9° |
| OBG | CAY | CAZ | CAW | 179.8° | 179.9° |
| OBG | CAY | CAZ | H17 | 0.2° | 0.2° |
| OBG | CAY | CBA | H19 | 0.2° | 0.2° |
| CAY | OBG | CBB | H20 | 180.0° | 180.0° |
| CAY | OBG | CBB | H21 | 60.0° | 60.0° |
| CAY | OBG | CBB | H22 | 60.0° | 60.0° |
| CAY | CBA | CAX | H19 | 180.0° | 179.7° |
| CBA | CAY | CAZ | CAW | 0.5° | 0.3° |
| CAY | CBA | CAX | CAV | 0.7° | 0.0° |
| CAY | CBA | CAX | H16 | 179.3° | 180.0° |
| CBA | CAY | CAZ | H17 | 179.4° | 180.0° |
| CAZ | CAY | CBA | CAX | 0.6° | 0.3° |
| CAY | CAZ | CAW | H17 | 180.0° | 179.7° |
| CAY | CAZ | CAW | CAV | 0.9° | 0.0° |
| CAY | CAZ | CAW | H15 | 179.1° | 180.0° |
| CAZ | CAY | CBA | H19 | 179.4° | 180.0° |
| CBA | CAX | CAV | H16 | 180.0° | 179.9° |
| CBA | CAX | CAV | CAW | 2.1° | 0.2° |
| CBA | CAX | CAV | OBF | 178.1° | 180.0° |
| CAZ | CAW | CAV | CAX | 2.2° | 0.2° |
| CAZ | CAW | CAV | H15 | 180.0° | 179.9° |
| CAZ | CAW | CAV | OBF | 178.1° | 180.0° |
| CAX | CAV | CAW | OBF | 175.9° | 179.8° |
| CAX | CAV | OBF | C4 | 70.9° | 109.9° |
| CAX | CAV | CAW | H15 | 177.8° | 179.8° |
| CAV | CAX | CBA | H19 | 179.3° | 179.8° |
| CAW | CAV | OBF | C4 | 113.1° | 70.3° |
| CAW | CAV | CAX | H16 | 177.8° | 179.7° |
| CAV | CAW | CAZ | H17 | 179.1° | 179.8° |
| CAV | OBF | C4 | N3 | 28.3° | 5.8° |
| CAV | OBF | C4 | C5 | 152.9° | 174.1° |
| OBF | CAV | CAW | H15 | 1.9° | 0.0° |
| OBF | CAV | CAX | H16 | 1.9° | 0.1° |
| OBF | C4 | N3 | C5 | 178.8° | 180.0° |
| OBF | C4 | N3 | C2 | 180.0° | 180.0° |
| OBF | C4 | C5 | C6 | 179.8° | 180.0° |
| OBF | C4 | C5 | H24 | 0.2° | 0.1° |
| N3 | C4 | C5 | C6 | 1.0° | 0.1° |
| C4 | N3 | C2 | N1 | 0.8° | 0.0° |
| C4 | N3 | C2 | H23 | 179.2° | 180.0° |
| N3 | C4 | C5 | H24 | 179.0° | 180.0° |
| C5 | C4 | N3 | C2 | 1.3° | 0.1° |
| C4 | C5 | C6 | H24 | 180.0° | 179.9° |
| C4 | C5 | C6 | N1 | 0.3° | 0.1° |
| C4 | C5 | C6 | NAA | 179.1° | 180.0° |
| N3 | C2 | N1 | H23 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C5 | C6 | N1 | NAA | 179.5° | 179.9° |
| C5 | C6 | NAA | CAR | 9.0° | 5.0° |
| C5 | C6 | NAA | CAK | 170.5° | 175.0° |
| C2 | N1 | C6 | NAA | 179.6° | 180.0° |
| N1 | C6 | NAA | CAR | 171.6° | 175.0° |
| N1 | C6 | NAA | CAK | 8.9° | 5.0° |
| C6 | N1 | C2 | H23 | 179.9° | 180.0° |
| N1 | C6 | C5 | H24 | 179.7° | 180.0° |
| C6 | NAA | CAR | CAK | 179.5° | 180.0° |
| C6 | NAA | CAK | CAM | 86.1° | 90.0° |
| C6 | NAA | CAK | H6 | 34.0° | 150.0° |
| C6 | NAA | CAK | H7 | 153.7° | 30.0° |
| C6 | NAA | CAR | H12 | 180.0° | 90.0° |
| C6 | NAA | CAR | H13 | 60.0° | 30.0° |
| C6 | NAA | CAR | H14 | 60.0° | 150.0° |
| NAA | C6 | C5 | H24 | 0.9° | 0.1° |
| CAR | NAA | CAK | CAM | 94.4° | 90.0° |
| CAR | NAA | CAK | H6 | 145.4° | 30.0° |
| CAR | NAA | CAK | H7 | 25.8° | 150.0° |
| NAA | CAR | H12 | H13 | 120.0° | 120.1° |
| NAA | CAR | H12 | H14 | 120.0° | 120.0° |
| NAA | CAR | H13 | H14 | 120.0° | 120.0° |
| NAA | CAK | CAM | H6 | 120.1° | 120.1° |
| NAA | CAK | CAM | H7 | 120.2° | 120.0° |
| NAA | CAK | CAM | OBC | 73.6° | 65.0° |
| NAA | CAK | H6 | H7 | 119.5° | 120.1° |
| NAA | CAK | CAM | H8 | 46.2° | 175.0° |
| NAA | CAK | CAM | H9 | 166.5° | 55.0° |
| CAK | NAA | CAR | H12 | 0.5° | 90.0° |
| CAK | NAA | CAR | H13 | 119.5° | 150.0° |
| CAK | NAA | CAR | H14 | 120.5° | 30.0° |
| CAK | CAM | OBC | H8 | 119.8° | 120.0° |
| CAK | CAM | OBC | H9 | 119.9° | 119.9° |
| CAK | CAM | OBC | CAL | 165.9° | 180.0° |
| CAM | CAK | H6 | H7 | 119.5° | 119.9° |
| CAK | CAM | H8 | H9 | 120.5° | 119.9° |
| CAM | OBC | CAL | CAN | 161.6° | 180.0° |
| CAM | OBC | CAL | CAO | 20.6° | 0.3° |
| OBC | CAM | CAK | H6 | 166.2° | 175.0° |
| OBC | CAM | CAK | H7 | 46.6° | 55.0° |
| OBC | CAM | H8 | H9 | 120.5° | 120.1° |
| OBC | CAL | CAN | CAO | 177.9° | 179.7° |
| OBC | CAL | CAN | CAI | 179.7° | 180.0° |
| OBC | CAL | CAO | CAJ | 179.8° | 180.0° |
| CAL | OBC | CAM | H8 | 46.1° | 60.0° |
| CAL | OBC | CAM | H9 | 74.2° | 60.1° |
| OBC | CAL | CAN | H10 | 0.3° | 0.3° |
| OBC | CAL | CAO | H11 | 0.2° | 0.3° |
| CAL | CAN | CAI | H10 | 180.0° | 179.7° |
| CAN | CAL | CAO | CAJ | 2.0° | 0.4° |
| CAL | CAN | CAI | CAG | 1.3° | 0.0° |
| CAL | CAN | CAI | H4 | 178.7° | 180.0° |
| CAN | CAL | CAO | H11 | 178.0° | 180.0° |
| CAO | CAL | CAN | CAI | 2.4° | 0.3° |
| CAL | CAO | CAJ | H11 | 180.0° | 179.7° |
| CAL | CAO | CAJ | CAG | 0.5° | 0.1° |
| CAL | CAO | CAJ | H5 | 179.6° | 180.0° |
| CAO | CAL | CAN | H10 | 177.6° | 180.0° |
| CAN | CAI | CAG | H4 | 180.0° | 180.0° |
| CAN | CAI | CAG | CAJ | 0.2° | 0.3° |
| CAN | CAI | CAG | CAF | 179.5° | 180.0° |
| CAO | CAJ | CAG | CAI | 0.6° | 0.2° |
| CAO | CAJ | CAG | H5 | 180.0° | 179.9° |
| CAO | CAJ | CAG | CAF | 179.9° | 179.9° |
| CAI | CAG | CAJ | CAF | 179.3° | 179.7° |
| CAI | CAG | CAF | CAE | 103.1° | 90.0° |
| CAI | CAG | CAF | H2 | 136.2° | 30.0° |
| CAI | CAG | CAF | H3 | 17.5° | 150.0° |
| CAI | CAG | CAJ | H5 | 179.3° | 179.7° |
| CAG | CAI | CAN | H10 | 178.8° | 179.7° |
| SBH | CAE | CAF | CAG | 73.5° | 71.4° |
| CAE | SBH | CAP | OBE | 178.5° | 180.0° |
| SBH | CAE | CAF | CAH | 114.3° | 113.6° |
| SBH | CAE | CAF | H1 | 120.7° | 123.3° |
| SBH | CAE | CAH | H1 | 115.4° | 118.5° |
| CAE | SBH | CAP | NAB | 2.7° | 0.0° |
| SBH | CAE | CAH | NAB | 3.7° | 0.0° |
| SBH | CAE | CAH | OBD | 179.7° | 180.0° |
| SBH | CAE | CAF | H2 | 165.9° | 48.6° |
| SBH | CAE | CAF | H3 | 47.2° | 168.6° |
| SBH | CAP | OBE | NAB | 178.7° | 180.0° |
| CAP | SBH | CAE | CAF | 115.3° | 118.4° |
| CAP | SBH | CAE | CAH | 3.5° | 0.0° |
| SBH | CAP | NAB | CAH | 0.9° | 0.0° |
| CAP | SBH | CAE | H1 | 122.3° | 118.5° |
| SBH | CAP | NAB | H18 | 179.1° | 180.0° |
| CAJ | CAG | CAF | CAE | 77.6° | 90.3° |
| CAJ | CAG | CAF | H2 | 43.1° | 149.7° |
| CAJ | CAG | CAF | H3 | 161.8° | 29.7° |
| CAJ | CAG | CAI | H4 | 179.7° | 179.8° |
| CAG | CAJ | CAO | H11 | 179.5° | 179.8° |
| CAG | CAF | CAE | H2 | 120.6° | 120.0° |
| CAG | CAF | CAE | H3 | 120.7° | 120.0° |
| CAG | CAF | CAE | CAH | 172.3° | 175.0° |
| CAG | CAF | CAE | H1 | 47.2° | 51.8° |
| CAG | CAF | H2 | H3 | 118.0° | 120.0° |
| CAF | CAG | CAI | H4 | 0.5° | 0.0° |
| CAF | CAG | CAJ | H5 | 0.1° | 0.0° |
| OBE | CAP | NAB | CAH | 179.7° | 179.9° |
| OBE | CAP | NAB | H18 | 0.3° | 0.0° |
| CAF | CAE | CAH | H1 | 123.9° | 123.1° |
| CAF | CAE | CAH | NAB | 117.0° | 118.3° |
| CAF | CAE | CAH | OBD | 59.6° | 61.6° |
| CAE | CAF | H2 | H3 | 118.0° | 120.0° |
| CAE | CAH | NAB | CAP | 2.1° | 0.0° |
| CAE | CAH | NAB | OBD | 176.7° | 179.9° |
| CAH | CAE | CAF | H2 | 51.6° | 65.0° |
| CAH | CAE | CAF | H3 | 67.0° | 55.0° |
| CAE | CAH | NAB | H18 | 177.9° | 180.0° |
| CAP | NAB | CAH | H18 | 180.0° | 180.0° |
| CAP | NAB | CAH | OBD | 178.8° | 180.0° |
| NAB | CAH | CAE | H1 | 119.1° | 118.5° |
| OBD | CAH | CAE | H1 | 64.3° | 61.5° |
| OBD | CAH | NAB | H18 | 1.2° | 0.1° |
| H1 | CAE | CAF | H2 | 73.4° | 171.8° |
| H1 | CAE | CAF | H3 | 167.9° | 68.1° |
| H4 | CAI | CAN | H10 | 1.2° | 0.3° |
| H5 | CAJ | CAO | H11 | 0.4° | 0.3° |
| H6 | CAK | CAM | H8 | 74.0° | 54.9° |
| H6 | CAK | CAM | H9 | 46.4° | 65.0° |
| H7 | CAK | CAM | H8 | 166.4° | 65.0° |
| H7 | CAK | CAM | H9 | 73.3° | 175.0° |
| H12 | CAR | H13 | H14 | 120.0° | 120.0° |
| H15 | CAW | CAZ | H17 | 0.8° | 0.3° |
| H16 | CAX | CBA | H19 | 0.8° | 0.3° |
| H20 | CBB | H21 | H22 | 120.0° | 120.0° |
