8MU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NAA | C2 | sing | 1.38Å | 1.31Å | |
| NAS | CAR | sing | 1.47Å | 1.49Å | |
| C2 | N3 | doub | 1.33Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.35Å | Aromatic |
| CBD | CBC | sing | 1.53Å | 1.53Å | |
| CAR | CAQ | sing | 1.51Å | 1.42Å | |
| N3 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.33Å | Aromatic |
| CAP | CAQ | doub | 1.38Å | 1.40Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | CBC | sing | 1.51Å | 1.39Å | |
| C4 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| CAQ | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.40Å | Aromatic |
| C6 | NAE | sing | 1.38Å | 1.34Å | |
| C5 | CAG | sing | 1.43Å | 1.41Å | |
| CAO | CAN | doub | 1.39Å | 1.40Å | Aromatic |
| CAT | CAU | doub | 1.38Å | 1.39Å | Aromatic |
| CAG | CAH | trip | 1.17Å | 1.15Å | |
| CAN | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | sing | 1.48Å | 1.40Å | |
| CAH | CAI | sing | 1.47Å | 1.48Å | |
| CAL | CAM | doub | 1.39Å | 1.38Å | Aromatic |
| CAL | CAK | sing | 1.38Å | 1.38Å | Aromatic |
| CAM | CAV | sing | 1.40Å | 1.34Å | Aromatic |
| CAJ | CAI | sing | 1.53Å | 1.52Å | |
| CAI | CAK | sing | 1.51Å | 1.39Å | |
| CAK | CBA | doub | 1.38Å | 1.39Å | Aromatic |
| CAV | OAW | sing | 1.36Å | 1.36Å | |
| CAV | CAZ | doub | 1.39Å | 1.34Å | Aromatic |
| OAW | CAX | sing | 1.44Å | 1.45Å | |
| CBA | CAZ | sing | 1.39Å | 1.33Å | Aromatic |
| CAZ | OAY | sing | 1.37Å | 1.36Å | |
| CAX | OAY | sing | 1.44Å | 1.44Å | |
| CAI | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAJ | H3 | sing | 1.09Å | 1.10Å | |
| CAJ | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.08Å | 1.08Å | |
| CAO | H6 | sing | 1.08Å | 1.08Å | |
| CAP | H7 | sing | 1.08Å | 1.08Å | |
| CAR | H8 | sing | 1.09Å | 1.10Å | |
| CAR | H9 | sing | 1.09Å | 1.10Å | |
| CAT | H10 | sing | 1.08Å | 1.08Å | |
| CAU | H11 | sing | 1.08Å | 1.08Å | |
| CAX | H12 | sing | 1.09Å | 1.10Å | |
| CAX | H13 | sing | 1.09Å | 1.10Å | |
| CBA | H14 | sing | 1.08Å | 1.08Å | |
| CBC | H15 | sing | 1.09Å | 1.10Å | |
| CBC | H16 | sing | 1.09Å | 1.10Å | |
| CBD | H17 | sing | 1.09Å | 1.10Å | |
| CBD | H18 | sing | 1.09Å | 1.10Å | |
| CBD | H19 | sing | 1.09Å | 1.10Å | |
| NAA | H20 | sing | 0.97Å | 1.00Å | |
| NAA | H21 | sing | 0.97Å | 1.00Å | |
| NAE | H22 | sing | 0.97Å | 1.00Å | |
| NAE | H23 | sing | 0.97Å | 1.00Å | |
| NAS | H24 | sing | 1.01Å | 1.00Å | |
| NAS | H25 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NAA | C2 | N3 | 120.3° | 119.0° |
| NAA | C2 | N1 | 118.6° | 119.0° |
| C2 | NAA | H20 | 109.5° | 120.0° |
| C2 | NAA | H21 | 109.5° | 120.0° |
| NAS | CAR | CAQ | 115.5° | 109.4° |
| NAS | CAR | H8 | 107.9° | 109.5° |
| NAS | CAR | H9 | 108.0° | 109.5° |
| CAR | NAS | H24 | 109.5° | 111.0° |
| CAR | NAS | H25 | 109.4° | 111.0° |
| N3 | C2 | N1 | 121.1° | 122.0° |
| C2 | N3 | C4 | 120.9° | 121.1° |
| C2 | N1 | C6 | 120.0° | 120.8° |
| CBD | CBC | C4 | 108.9° | 109.5° |
| CBD | CBC | H15 | 109.6° | 109.5° |
| CBD | CBC | H16 | 109.6° | 109.5° |
| CBC | CBD | H17 | 109.5° | 109.5° |
| CBC | CBD | H18 | 109.5° | 109.5° |
| CBC | CBD | H19 | 109.5° | 109.4° |
| CAR | CAQ | CAP | 121.0° | 119.9° |
| CAR | CAQ | CAT | 120.8° | 119.9° |
| CAQ | CAR | H8 | 107.9° | 109.5° |
| CAQ | CAR | H9 | 107.9° | 109.5° |
| N3 | C4 | CBC | 118.2° | 120.5° |
| N3 | C4 | C5 | 119.8° | 119.1° |
| N1 | C6 | C5 | 120.7° | 118.9° |
| N1 | C6 | NAE | 121.1° | 120.6° |
| CAQ | CAP | CAO | 120.8° | 120.1° |
| CAP | CAQ | CAT | 118.2° | 120.3° |
| CAQ | CAP | H7 | 119.6° | 120.0° |
| CAP | CAO | CAN | 120.6° | 119.9° |
| CAP | CAO | H6 | 119.7° | 120.0° |
| CAO | CAP | H7 | 119.6° | 120.0° |
| CBC | C4 | C5 | 122.0° | 120.4° |
| C4 | CBC | H15 | 109.6° | 109.4° |
| C4 | CBC | H16 | 109.6° | 109.5° |
| C4 | C5 | C6 | 117.5° | 118.2° |
| C4 | C5 | CAG | 121.6° | 120.9° |
| CAQ | CAT | CAU | 121.1° | 120.1° |
| CAQ | CAT | H10 | 119.4° | 119.9° |
| C5 | C6 | NAE | 118.2° | 120.6° |
| C6 | C5 | CAG | 120.8° | 120.9° |
| C6 | NAE | H22 | 109.5° | 120.0° |
| C6 | NAE | H23 | 109.5° | 120.0° |
| C5 | CAG | CAH | 179.4° | 180.0° |
| CAO | CAN | CAU | 118.4° | 119.8° |
| CAO | CAN | CAM | 121.2° | 120.1° |
| CAN | CAO | H6 | 119.7° | 120.1° |
| CAT | CAU | CAN | 120.8° | 119.9° |
| CAU | CAT | H10 | 119.5° | 120.0° |
| CAT | CAU | H11 | 119.6° | 120.0° |
| CAG | CAH | CAI | 179.2° | 180.0° |
| CAU | CAN | CAM | 120.3° | 120.1° |
| CAN | CAU | H11 | 119.6° | 120.1° |
| CAN | CAM | CAL | 117.8° | 120.2° |
| CAN | CAM | CAV | 122.3° | 120.1° |
| CAH | CAI | CAJ | 113.6° | 109.4° |
| CAH | CAI | CAK | 109.9° | 109.5° |
| CAH | CAI | H1 | 107.7° | 109.5° |
| CAM | CAL | CAK | 118.8° | 120.0° |
| CAL | CAM | CAV | 119.9° | 119.7° |
| CAM | CAL | H5 | 120.6° | 119.9° |
| CAL | CAK | CAI | 119.4° | 119.8° |
| CAL | CAK | CBA | 119.0° | 120.3° |
| CAK | CAL | H5 | 120.6° | 120.0° |
| CAM | CAV | OAW | 128.6° | 131.6° |
| CAM | CAV | CAZ | 121.2° | 119.7° |
| CAJ | CAI | CAK | 109.4° | 109.5° |
| CAJ | CAI | H1 | 107.2° | 109.4° |
| CAI | CAJ | H2 | 109.5° | 109.5° |
| CAI | CAJ | H3 | 109.4° | 109.5° |
| CAI | CAJ | H4 | 109.5° | 109.5° |
| CAI | CAK | CBA | 121.6° | 119.9° |
| CAK | CAI | H1 | 108.9° | 109.5° |
| CAK | CBA | CAZ | 120.2° | 120.3° |
| CAK | CBA | H14 | 119.9° | 119.9° |
| OAW | CAV | CAZ | 110.2° | 108.7° |
| CAV | OAW | CAX | 104.1° | 105.5° |
| CAV | CAZ | CBA | 120.9° | 119.9° |
| CAV | CAZ | OAY | 111.3° | 108.6° |
| OAW | CAX | OAY | 105.9° | 103.7° |
| OAW | CAX | H12 | 110.4° | 110.5° |
| OAW | CAX | H13 | 110.4° | 110.7° |
| CBA | CAZ | OAY | 127.8° | 131.5° |
| CAZ | CBA | H14 | 119.9° | 119.9° |
| CAZ | OAY | CAX | 103.5° | 105.5° |
| OAY | CAX | H12 | 110.3° | 110.5° |
| OAY | CAX | H13 | 110.3° | 110.6° |
| H2 | CAJ | H3 | 109.5° | 109.5° |
| H2 | CAJ | H4 | 109.5° | 109.4° |
| H3 | CAJ | H4 | 109.4° | 109.5° |
| H8 | CAR | H9 | 109.5° | 109.5° |
| H12 | CAX | H13 | 109.5° | 110.5° |
| H15 | CBC | H16 | 109.5° | 109.4° |
| H17 | CBD | H18 | 109.5° | 109.5° |
| H17 | CBD | H19 | 109.5° | 109.4° |
| H18 | CBD | H19 | 109.4° | 109.5° |
| H20 | NAA | H21 | 109.5° | 120.0° |
| H22 | NAE | H23 | 109.5° | 120.0° |
| H24 | NAS | H25 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NAA | C2 | N3 | N1 | 178.9° | 179.5° |
| NAA | C2 | N3 | C4 | 178.9° | 180.0° |
| NAA | C2 | N1 | C6 | 179.2° | 179.7° |
| C2 | NAA | H20 | H21 | 120.0° | 179.9° |
| NAS | CAR | CAQ | H8 | 120.9° | 120.0° |
| NAS | CAR | CAQ | H9 | 120.9° | 120.0° |
| NAS | CAR | CAQ | CAP | 122.1° | 90.1° |
| NAS | CAR | CAQ | CAT | 59.4° | 90.0° |
| NAS | CAR | H8 | H9 | 117.3° | 120.0° |
| CAR | NAS | H24 | H25 | 120.0° | 124.0° |
| N3 | C2 | N1 | C6 | 1.8° | 0.2° |
| C2 | N3 | C4 | CBC | 178.5° | 179.7° |
| C2 | N3 | C4 | C5 | 1.3° | 0.5° |
| N3 | C2 | NAA | H20 | 0.0° | 0.1° |
| N3 | C2 | NAA | H21 | 120.0° | 180.0° |
| N1 | C2 | N3 | C4 | 2.2° | 0.5° |
| C2 | N1 | C6 | C5 | 0.6° | 0.0° |
| C2 | N1 | C6 | NAE | 179.9° | 180.0° |
| N1 | C2 | NAA | H20 | 179.0° | 179.4° |
| N1 | C2 | NAA | H21 | 58.9° | 0.5° |
| CBD | CBC | C4 | N3 | 75.6° | 90.2° |
| CBD | CBC | C4 | H15 | 119.9° | 120.0° |
| CBD | CBC | C4 | H16 | 119.9° | 120.1° |
| CBD | CBC | C4 | C5 | 104.6° | 90.0° |
| CBD | CBC | H15 | H16 | 120.3° | 120.0° |
| CBC | CBD | H17 | H18 | 120.0° | 120.1° |
| CBC | CBD | H17 | H19 | 120.0° | 119.9° |
| CBC | CBD | H18 | H19 | 120.0° | 120.0° |
| CAR | CAQ | CAP | CAT | 178.5° | 180.0° |
| CAR | CAQ | CAP | CAO | 179.3° | 180.0° |
| CAR | CAQ | CAT | CAU | 179.2° | 180.0° |
| CAR | CAQ | CAP | H7 | 0.7° | 0.1° |
| CAQ | CAR | H8 | H9 | 117.2° | 120.1° |
| CAR | CAQ | CAT | H10 | 0.8° | 0.0° |
| CAQ | CAR | NAS | H24 | 180.0° | 56.0° |
| CAQ | CAR | NAS | H25 | 60.0° | 180.0° |
| N3 | C4 | CBC | C5 | 179.7° | 179.8° |
| N3 | C4 | C5 | C6 | 0.1° | 0.2° |
| N3 | C4 | C5 | CAG | 179.6° | 179.8° |
| N3 | C4 | CBC | H15 | 164.4° | 29.8° |
| N3 | C4 | CBC | H16 | 44.3° | 149.7° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | NAE | 179.3° | 180.0° |
| N1 | C6 | C5 | CAG | 179.3° | 180.0° |
| N1 | C6 | NAE | H22 | 0.0° | 180.0° |
| N1 | C6 | NAE | H23 | 120.0° | 0.0° |
| CAQ | CAP | CAO | H7 | 180.0° | 179.9° |
| CAQ | CAP | CAO | CAN | 1.1° | 0.0° |
| CAP | CAQ | CAT | CAU | 0.7° | 0.0° |
| CAQ | CAP | CAO | H6 | 178.9° | 180.0° |
| CAP | CAQ | CAR | H8 | 117.0° | 150.0° |
| CAP | CAQ | CAR | H9 | 1.2° | 29.9° |
| CAP | CAQ | CAT | H10 | 179.3° | 179.9° |
| CAO | CAP | CAQ | CAT | 0.8° | 0.0° |
| CAP | CAO | CAN | H6 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAU | 1.2° | 0.0° |
| CAP | CAO | CAN | CAM | 179.4° | 179.8° |
| CBC | C4 | C5 | C6 | 179.7° | 180.0° |
| CBC | C4 | C5 | CAG | 0.1° | 0.0° |
| C4 | CBC | H15 | H16 | 120.3° | 120.0° |
| C4 | CBC | CBD | H17 | 180.0° | 60.1° |
| C4 | CBC | CBD | H18 | 60.0° | 60.0° |
| C4 | CBC | CBD | H19 | 60.0° | 180.0° |
| C4 | C5 | C6 | CAG | 179.6° | 180.0° |
| C4 | C5 | C6 | NAE | 179.0° | 180.0° |
| C4 | C5 | CAG | CAH | 156.3° | 161.2° |
| C5 | C4 | CBC | H15 | 15.3° | 150.0° |
| C5 | C4 | CBC | H16 | 135.5° | 30.1° |
| CAQ | CAT | CAU | H10 | 180.0° | 179.9° |
| CAQ | CAT | CAU | CAN | 0.9° | 0.0° |
| CAT | CAQ | CAP | H7 | 179.2° | 180.0° |
| CAT | CAQ | CAR | H8 | 61.4° | 30.0° |
| CAT | CAQ | CAR | H9 | 179.7° | 150.0° |
| CAQ | CAT | CAU | H11 | 179.1° | 179.8° |
| C6 | C5 | CAG | CAH | 24.1° | 18.8° |
| C5 | C6 | NAE | H22 | 179.3° | 0.0° |
| C5 | C6 | NAE | H23 | 59.3° | 180.0° |
| NAE | C6 | C5 | CAG | 1.4° | 0.0° |
| C6 | NAE | H22 | H23 | 120.0° | 180.0° |
| C5 | CAG | CAH | CAI | 119.9° | 44.4° |
| CAO | CAN | CAU | CAT | 1.1° | 0.0° |
| CAO | CAN | CAU | CAM | 178.2° | 179.8° |
| CAO | CAN | CAM | CAL | 53.3° | 130.2° |
| CAO | CAN | CAM | CAV | 128.2° | 49.7° |
| CAN | CAO | CAP | H7 | 178.9° | 180.0° |
| CAO | CAN | CAU | H11 | 178.9° | 179.8° |
| CAT | CAU | CAN | H11 | 180.0° | 179.7° |
| CAT | CAU | CAN | CAM | 179.3° | 179.8° |
| CAG | CAH | CAI | CAJ | 167.0° | 94.5° |
| CAG | CAH | CAI | CAK | 70.1° | 25.5° |
| CAG | CAH | CAI | H1 | 48.5° | 145.6° |
| CAU | CAN | CAM | CAL | 124.8° | 50.0° |
| CAU | CAN | CAM | CAV | 53.7° | 130.1° |
| CAU | CAN | CAO | H6 | 178.8° | 179.9° |
| CAN | CAU | CAT | H10 | 179.1° | 180.0° |
| CAN | CAM | CAL | CAV | 178.5° | 180.0° |
| CAN | CAM | CAL | CAK | 179.3° | 180.0° |
| CAN | CAM | CAV | OAW | 2.1° | 0.0° |
| CAN | CAM | CAV | CAZ | 179.4° | 180.0° |
| CAN | CAM | CAL | H5 | 0.7° | 0.1° |
| CAM | CAN | CAO | H6 | 0.6° | 0.3° |
| CAM | CAN | CAU | H11 | 0.7° | 0.0° |
| CAH | CAI | CAK | CAL | 61.2° | 120.3° |
| CAH | CAI | CAJ | CAK | 123.2° | 120.0° |
| CAH | CAI | CAJ | H1 | 118.9° | 120.0° |
| CAH | CAI | CAK | H1 | 117.8° | 120.1° |
| CAH | CAI | CAK | CBA | 119.6° | 60.0° |
| CAH | CAI | CAJ | H2 | 180.0° | 180.0° |
| CAH | CAI | CAJ | H3 | 60.0° | 60.0° |
| CAH | CAI | CAJ | H4 | 60.0° | 60.1° |
| CAM | CAL | CAK | H5 | 180.0° | 179.9° |
| CAM | CAL | CAK | CAI | 179.3° | 180.0° |
| CAM | CAL | CAK | CBA | 0.1° | 0.3° |
| CAL | CAM | CAV | OAW | 179.5° | 180.0° |
| CAL | CAM | CAV | CAZ | 1.0° | 0.0° |
| CAK | CAL | CAM | CAV | 0.8° | 0.0° |
| CAL | CAK | CAI | CAJ | 64.2° | 119.7° |
| CAL | CAK | CAI | CBA | 179.2° | 179.7° |
| CAL | CAK | CBA | CAZ | 0.5° | 0.5° |
| CAL | CAK | CAI | H1 | 179.0° | 0.2° |
| CAL | CAK | CBA | H14 | 179.5° | 179.7° |
| CAM | CAV | OAW | CAZ | 178.6° | 180.0° |
| CAM | CAV | OAW | CAX | 167.8° | 162.7° |
| CAM | CAV | CAZ | CBA | 0.4° | 0.2° |
| CAM | CAV | CAZ | OAY | 178.9° | 180.0° |
| CAV | CAM | CAL | H5 | 179.2° | 180.0° |
| CAJ | CAI | CAK | H1 | 116.8° | 120.0° |
| CAJ | CAI | CAK | CBA | 115.1° | 60.0° |
| CAI | CAJ | H2 | H3 | 120.0° | 120.0° |
| CAI | CAJ | H2 | H4 | 120.0° | 120.0° |
| CAI | CAJ | H3 | H4 | 120.0° | 120.0° |
| CAI | CAK | CBA | CAZ | 178.7° | 179.8° |
| CAK | CAI | CAJ | H2 | 56.8° | 60.0° |
| CAK | CAI | CAJ | H3 | 176.8° | 180.0° |
| CAK | CAI | CAJ | H4 | 63.3° | 60.0° |
| CAI | CAK | CAL | H5 | 0.7° | 0.1° |
| CAI | CAK | CBA | H14 | 1.2° | 0.1° |
| CAK | CBA | CAZ | CAV | 0.3° | 0.5° |
| CAK | CBA | CAZ | H14 | 180.0° | 179.8° |
| CAK | CBA | CAZ | OAY | 179.5° | 179.8° |
| CBA | CAK | CAI | H1 | 1.7° | 180.0° |
| CBA | CAK | CAL | H5 | 179.9° | 179.8° |
| OAW | CAV | CAZ | CBA | 179.2° | 179.8° |
| OAW | CAV | CAZ | OAY | 0.1° | 0.0° |
| CAV | OAW | CAX | OAY | 21.4° | 27.1° |
| CAV | OAW | CAX | H12 | 98.1° | 91.4° |
| CAV | OAW | CAX | H13 | 140.8° | 145.7° |
| CAZ | CAV | OAW | CAX | 13.6° | 17.3° |
| CAV | CAZ | CBA | OAY | 179.2° | 179.7° |
| CAV | CAZ | OAY | CAX | 13.4° | 17.3° |
| CAV | CAZ | CBA | H14 | 179.7° | 179.7° |
| OAW | CAX | OAY | CAZ | 21.1° | 27.1° |
| OAW | CAX | OAY | H12 | 119.4° | 118.5° |
| OAW | CAX | OAY | H13 | 119.5° | 118.8° |
| OAW | CAX | H12 | H13 | 121.7° | 123.0° |
| CBA | CAZ | OAY | CAX | 167.3° | 163.0° |
| CAZ | OAY | CAX | H12 | 98.3° | 91.4° |
| CAZ | OAY | CAX | H13 | 140.6° | 145.8° |
| OAY | CAZ | CBA | H14 | 0.5° | 0.0° |
| OAY | CAX | H12 | H13 | 121.6° | 122.8° |
| H1 | CAI | CAJ | H2 | 61.1° | 60.0° |
| H1 | CAI | CAJ | H3 | 58.9° | 60.0° |
| H1 | CAI | CAJ | H4 | 178.8° | 180.0° |
| H2 | CAJ | H3 | H4 | 120.0° | 119.9° |
| H6 | CAO | CAP | H7 | 1.1° | 0.1° |
| H8 | CAR | NAS | H24 | 59.1° | 64.0° |
| H8 | CAR | NAS | H25 | 60.9° | 60.0° |
| H9 | CAR | NAS | H24 | 59.1° | 176.0° |
| H9 | CAR | NAS | H25 | 179.1° | 60.0° |
| H10 | CAT | CAU | H11 | 0.9° | 0.3° |
| H15 | CBC | CBD | H17 | 60.1° | 179.9° |
| H15 | CBC | CBD | H18 | 59.9° | 60.0° |
| H15 | CBC | CBD | H19 | 179.9° | 60.1° |
| H16 | CBC | CBD | H17 | 60.1° | 60.0° |
| H16 | CBC | CBD | H18 | 179.9° | 179.9° |
| H16 | CBC | CBD | H19 | 59.9° | 59.9° |
| H17 | CBD | H18 | H19 | 120.0° | 120.0° |
