6U7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAU | CAV | doub | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.38Å | 1.39Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.39Å | Aromatic |
| CAT | CAS | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| CAS | CAX | sing | 1.39Å | 1.39Å | Aromatic |
| CAS | OAR | sing | 1.36Å | 1.36Å | |
| OAR | CAO | sing | 1.36Å | 1.36Å | |
| CAP | CAO | doub | 1.39Å | 1.39Å | Aromatic |
| CAP | CAQ | sing | 1.38Å | 1.39Å | Aromatic |
| CAO | CAN | sing | 1.39Å | 1.39Å | Aromatic |
| CBC | CAQ | sing | 1.51Å | 1.39Å | |
| CAQ | CAL | doub | 1.39Å | 1.39Å | Aromatic |
| CAN | CAM | doub | 1.38Å | 1.39Å | Aromatic |
| CAL | CAM | sing | 1.39Å | 1.39Å | Aromatic |
| CAL | NAK | sing | 1.40Å | 1.33Å | |
| N3 | C2 | doub | 1.32Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.31Å | 1.40Å | Aromatic |
| NAK | C4 | sing | 1.38Å | 1.33Å | |
| C4 | C5 | doub | 1.42Å | 1.39Å | Aromatic |
| N1 | C6 | doub | 1.34Å | 1.34Å | Aromatic |
| C5 | C6 | sing | 1.42Å | 1.39Å | Aromatic |
| C5 | CAC | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | CAF | sing | 1.40Å | 1.39Å | Aromatic |
| CAC | CAH | doub | 1.37Å | 1.39Å | Aromatic |
| CAF | CAG | doub | 1.38Å | 1.39Å | Aromatic |
| CAH | CAG | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | OAY | sing | 1.36Å | 1.36Å | |
| CAG | OBA | sing | 1.36Å | 1.36Å | |
| OAY | CAZ | sing | 1.43Å | 1.43Å | |
| CBB | OBA | sing | 1.43Å | 1.43Å | |
| CBB | H1 | sing | 1.09Å | 1.10Å | |
| CBB | H2 | sing | 1.09Å | 1.10Å | |
| CBB | H3 | sing | 1.09Å | 1.10Å | |
| CAF | H4 | sing | 1.08Å | 1.08Å | |
| CAZ | H5 | sing | 1.09Å | 1.10Å | |
| CAZ | H6 | sing | 1.09Å | 1.10Å | |
| CAZ | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| NAK | H10 | sing | 0.97Å | 1.00Å | |
| CBC | H11 | sing | 1.09Å | 1.10Å | |
| CBC | H12 | sing | 1.09Å | 1.10Å | |
| CBC | H13 | sing | 1.09Å | 1.10Å | |
| CAP | H14 | sing | 1.08Å | 1.08Å | |
| CAM | H15 | sing | 1.08Å | 1.08Å | |
| CAN | H16 | sing | 1.08Å | 1.08Å | |
| CAT | H17 | sing | 1.08Å | 1.08Å | |
| CAU | H18 | sing | 1.08Å | 1.08Å | |
| CAV | H19 | sing | 1.08Å | 1.08Å | |
| CAW | H20 | sing | 1.08Å | 1.08Å | |
| CAX | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAV | CAU | CAT | 119.8° | 120.0° |
| CAU | CAV | CAW | 120.2° | 120.1° |
| CAV | CAU | H18 | 120.1° | 120.0° |
| CAU | CAV | H19 | 119.9° | 119.9° |
| CAU | CAT | CAS | 120.3° | 119.9° |
| CAU | CAT | H17 | 119.9° | 120.0° |
| CAT | CAU | H18 | 120.1° | 120.0° |
| CAV | CAW | CAX | 120.0° | 120.1° |
| CAW | CAV | H19 | 119.9° | 119.9° |
| CAV | CAW | H20 | 120.0° | 120.0° |
| CAT | CAS | CAX | 119.9° | 119.9° |
| CAT | CAS | OAR | 118.5° | 120.1° |
| CAS | CAT | H17 | 119.8° | 120.1° |
| CAW | CAX | CAS | 119.9° | 119.9° |
| CAX | CAW | H20 | 120.0° | 119.9° |
| CAW | CAX | H21 | 120.1° | 120.1° |
| CAX | CAS | OAR | 121.6° | 120.0° |
| CAS | CAX | H21 | 120.0° | 120.0° |
| CAS | OAR | CAO | 115.7° | 118.0° |
| OAR | CAO | CAP | 118.8° | 120.0° |
| OAR | CAO | CAN | 121.2° | 119.9° |
| CAO | CAP | CAQ | 120.4° | 120.0° |
| CAP | CAO | CAN | 120.0° | 120.1° |
| CAO | CAP | H14 | 119.8° | 120.0° |
| CAP | CAQ | CBC | 119.3° | 120.0° |
| CAP | CAQ | CAL | 119.3° | 120.0° |
| CAQ | CAP | H14 | 119.8° | 120.0° |
| CAO | CAN | CAM | 119.9° | 120.0° |
| CAO | CAN | H16 | 120.0° | 120.0° |
| CBC | CAQ | CAL | 121.3° | 120.0° |
| CAQ | CBC | H11 | 109.5° | 109.4° |
| CAQ | CBC | H12 | 109.5° | 109.5° |
| CAQ | CBC | H13 | 109.4° | 109.5° |
| CAQ | CAL | CAM | 120.7° | 119.9° |
| CAQ | CAL | NAK | 117.4° | 120.0° |
| CAN | CAM | CAL | 119.6° | 120.0° |
| CAN | CAM | H15 | 120.2° | 120.0° |
| CAM | CAN | H16 | 120.0° | 120.0° |
| CAM | CAL | NAK | 121.9° | 120.0° |
| CAL | CAM | H15 | 120.2° | 120.0° |
| CAL | NAK | C4 | 119.1° | 120.0° |
| CAL | NAK | H10 | 120.4° | 120.0° |
| C2 | N3 | C4 | 118.9° | 121.5° |
| N3 | C2 | N1 | 120.0° | 122.9° |
| N3 | C2 | H9 | 120.0° | 118.6° |
| N3 | C4 | NAK | 122.6° | 120.9° |
| N3 | C4 | C5 | 121.4° | 118.2° |
| C2 | N1 | C6 | 120.3° | 120.4° |
| N1 | C2 | H9 | 120.0° | 118.5° |
| NAK | C4 | C5 | 115.9° | 120.9° |
| C4 | NAK | H10 | 120.4° | 120.0° |
| C4 | C5 | C6 | 119.7° | 118.2° |
| C4 | C5 | CAC | 120.0° | 121.9° |
| N1 | C6 | C5 | 119.7° | 118.7° |
| N1 | C6 | CAF | 120.0° | 121.8° |
| C6 | C5 | CAC | 120.3° | 119.9° |
| C5 | C6 | CAF | 120.3° | 119.4° |
| C5 | CAC | CAH | 119.3° | 119.7° |
| C5 | CAC | H8 | 120.4° | 120.2° |
| C6 | CAF | CAG | 119.2° | 119.5° |
| C6 | CAF | H4 | 120.4° | 120.3° |
| CAC | CAH | CAG | 120.5° | 120.7° |
| CAC | CAH | OAY | 123.4° | 119.6° |
| CAH | CAC | H8 | 120.4° | 120.1° |
| CAF | CAG | CAH | 120.5° | 120.7° |
| CAF | CAG | OBA | 123.5° | 119.7° |
| CAG | CAF | H4 | 120.4° | 120.2° |
| CAG | CAH | OAY | 116.2° | 119.6° |
| CAH | CAG | OBA | 116.1° | 119.6° |
| CAH | OAY | CAZ | 111.2° | 117.0° |
| CAG | OBA | CBB | 111.4° | 117.0° |
| OAY | CAZ | H5 | 109.5° | 109.5° |
| OAY | CAZ | H6 | 109.4° | 109.5° |
| OAY | CAZ | H7 | 109.5° | 109.5° |
| OBA | CBB | H1 | 109.5° | 109.5° |
| OBA | CBB | H2 | 109.5° | 109.5° |
| OBA | CBB | H3 | 109.5° | 109.4° |
| H1 | CBB | H2 | 109.5° | 109.5° |
| H1 | CBB | H3 | 109.5° | 109.4° |
| H2 | CBB | H3 | 109.5° | 109.5° |
| H5 | CAZ | H6 | 109.5° | 109.4° |
| H5 | CAZ | H7 | 109.4° | 109.5° |
| H6 | CAZ | H7 | 109.5° | 109.4° |
| H11 | CBC | H12 | 109.5° | 109.5° |
| H11 | CBC | H13 | 109.5° | 109.5° |
| H12 | CBC | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAV | CAU | CAT | H18 | 180.0° | 179.9° |
| CAU | CAV | CAW | H19 | 180.0° | 179.9° |
| CAV | CAU | CAT | CAS | 0.3° | 0.1° |
| CAU | CAV | CAW | CAX | 0.0° | 0.0° |
| CAV | CAU | CAT | H17 | 179.7° | 180.0° |
| CAU | CAV | CAW | H20 | 180.0° | 179.9° |
| CAT | CAU | CAV | CAW | 0.0° | 0.1° |
| CAU | CAT | CAS | H17 | 180.0° | 179.9° |
| CAU | CAT | CAS | CAX | 0.6° | 0.1° |
| CAU | CAT | CAS | OAR | 179.7° | 179.8° |
| CAT | CAU | CAV | H19 | 180.0° | 180.0° |
| CAV | CAW | CAX | H20 | 180.0° | 180.0° |
| CAV | CAW | CAX | CAS | 0.3° | 0.1° |
| CAW | CAV | CAU | H18 | 180.0° | 180.0° |
| CAV | CAW | CAX | H21 | 179.7° | 179.7° |
| CAT | CAS | CAX | CAW | 0.6° | 0.1° |
| CAT | CAS | CAX | OAR | 179.1° | 179.7° |
| CAT | CAS | OAR | CAO | 149.6° | 175.5° |
| CAS | CAT | CAU | H18 | 179.7° | 180.0° |
| CAT | CAS | CAX | H21 | 179.4° | 179.7° |
| CAW | CAX | CAS | H21 | 180.0° | 179.8° |
| CAW | CAX | CAS | OAR | 179.8° | 179.8° |
| CAX | CAW | CAV | H19 | 180.0° | 180.0° |
| CAX | CAS | OAR | CAO | 31.3° | 4.9° |
| CAX | CAS | CAT | H17 | 179.4° | 180.0° |
| CAS | CAX | CAW | H20 | 179.7° | 179.9° |
| CAS | OAR | CAO | CAP | 115.8° | 75.4° |
| CAS | OAR | CAO | CAN | 65.6° | 104.9° |
| OAR | CAS | CAT | H17 | 0.3° | 0.3° |
| OAR | CAS | CAX | H21 | 0.3° | 0.0° |
| OAR | CAO | CAP | CAN | 178.6° | 179.8° |
| OAR | CAO | CAP | CAQ | 179.4° | 180.0° |
| OAR | CAO | CAN | CAM | 179.5° | 179.8° |
| OAR | CAO | CAP | H14 | 0.6° | 0.0° |
| OAR | CAO | CAN | H16 | 0.5° | 0.3° |
| CAO | CAP | CAQ | H14 | 180.0° | 179.9° |
| CAO | CAP | CAQ | CBC | 179.7° | 180.0° |
| CAO | CAP | CAQ | CAL | 0.0° | 0.0° |
| CAP | CAO | CAN | CAM | 0.9° | 0.4° |
| CAP | CAO | CAN | H16 | 179.1° | 179.9° |
| CAQ | CAP | CAO | CAN | 0.7° | 0.2° |
| CAP | CAQ | CBC | CAL | 179.7° | 180.0° |
| CAP | CAQ | CAL | CAM | 0.6° | 0.0° |
| CAP | CAQ | CAL | NAK | 179.5° | 179.7° |
| CAP | CAQ | CBC | H11 | 89.9° | 90.0° |
| CAP | CAQ | CBC | H12 | 150.1° | 30.0° |
| CAP | CAQ | CBC | H13 | 30.2° | 150.0° |
| CAO | CAN | CAM | H16 | 180.0° | 179.5° |
| CAO | CAN | CAM | CAL | 0.4° | 0.4° |
| CAN | CAO | CAP | H14 | 179.3° | 179.7° |
| CAO | CAN | CAM | H15 | 179.6° | 179.5° |
| CBC | CAQ | CAL | CAM | 179.7° | 180.0° |
| CBC | CAQ | CAL | NAK | 0.8° | 0.3° |
| CAQ | CBC | H11 | H12 | 120.0° | 120.0° |
| CAQ | CBC | H11 | H13 | 120.0° | 120.0° |
| CAQ | CBC | H12 | H13 | 120.0° | 120.0° |
| CBC | CAQ | CAP | H14 | 0.3° | 0.1° |
| CAQ | CAL | CAM | CAN | 0.4° | 0.2° |
| CAQ | CAL | CAM | NAK | 178.8° | 179.7° |
| CAQ | CAL | NAK | C4 | 92.3° | 155.7° |
| CAQ | CAL | NAK | H10 | 87.7° | 24.3° |
| CAL | CAQ | CBC | H11 | 89.9° | 90.0° |
| CAL | CAQ | CBC | H12 | 30.1° | 150.0° |
| CAL | CAQ | CBC | H13 | 150.1° | 30.0° |
| CAL | CAQ | CAP | H14 | 180.0° | 180.0° |
| CAQ | CAL | CAM | H15 | 179.6° | 179.7° |
| CAN | CAM | CAL | H15 | 180.0° | 179.9° |
| CAN | CAM | CAL | NAK | 179.2° | 179.9° |
| CAM | CAL | NAK | C4 | 88.9° | 24.6° |
| CAM | CAL | NAK | H10 | 91.1° | 155.4° |
| CAL | CAM | CAN | H16 | 179.7° | 180.0° |
| CAL | NAK | C4 | N3 | 11.5° | 6.4° |
| CAL | NAK | C4 | H10 | 180.0° | 180.0° |
| CAL | NAK | C4 | C5 | 169.1° | 174.0° |
| NAK | CAL | CAM | H15 | 0.8° | 0.1° |
| N3 | C2 | N1 | H9 | 180.0° | 180.0° |
| C2 | N3 | C4 | NAK | 179.6° | 179.7° |
| C2 | N3 | C4 | C5 | 0.3° | 0.1° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C4 | N3 | C2 | N1 | 0.1° | 0.0° |
| N3 | C4 | NAK | C5 | 179.4° | 179.7° |
| N3 | C4 | C5 | C6 | 0.4° | 0.1° |
| N3 | C4 | C5 | CAC | 179.9° | 180.0° |
| C4 | N3 | C2 | H9 | 179.9° | 179.9° |
| N3 | C4 | NAK | H10 | 168.5° | 173.6° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | CAF | 180.0° | 180.0° |
| NAK | C4 | C5 | C6 | 179.7° | 179.7° |
| NAK | C4 | C5 | CAC | 0.5° | 0.3° |
| C4 | C5 | C6 | N1 | 0.3° | 0.0° |
| C4 | C5 | C6 | CAC | 179.8° | 180.0° |
| C4 | C5 | C6 | CAF | 179.9° | 180.0° |
| C4 | C5 | CAC | CAH | 179.8° | 179.9° |
| C4 | C5 | CAC | H8 | 0.2° | 0.0° |
| C5 | C4 | NAK | H10 | 10.9° | 6.0° |
| N1 | C6 | C5 | CAF | 179.9° | 180.0° |
| N1 | C6 | C5 | CAC | 180.0° | 180.0° |
| N1 | C6 | CAF | CAG | 179.9° | 180.0° |
| N1 | C6 | CAF | H4 | 0.1° | 0.0° |
| C6 | N1 | C2 | H9 | 180.0° | 180.0° |
| C6 | C5 | CAC | CAH | 0.0° | 0.0° |
| C5 | C6 | CAF | CAG | 0.0° | 0.0° |
| C5 | C6 | CAF | H4 | 180.0° | 180.0° |
| C6 | C5 | CAC | H8 | 180.0° | 180.0° |
| CAC | C5 | C6 | CAF | 0.1° | 0.0° |
| C5 | CAC | CAH | H8 | 180.0° | 180.0° |
| C5 | CAC | CAH | CAG | 0.2° | 0.0° |
| C5 | CAC | CAH | OAY | 180.0° | 180.0° |
| C6 | CAF | CAG | H4 | 180.0° | 180.0° |
| C6 | CAF | CAG | CAH | 0.2° | 0.0° |
| C6 | CAF | CAG | OBA | 179.9° | 180.0° |
| CAC | CAH | CAG | CAF | 0.3° | 0.1° |
| CAC | CAH | CAG | OAY | 179.9° | 179.9° |
| CAC | CAH | CAG | OBA | 180.0° | 180.0° |
| CAC | CAH | OAY | CAZ | 33.9° | 0.0° |
| CAF | CAG | CAH | OBA | 179.7° | 179.9° |
| CAF | CAG | CAH | OAY | 179.9° | 180.0° |
| CAF | CAG | OBA | CBB | 29.4° | 0.0° |
| CAG | CAH | OAY | CAZ | 146.3° | 180.0° |
| CAH | CAG | OBA | CBB | 150.8° | 180.0° |
| CAH | CAG | CAF | H4 | 179.8° | 180.0° |
| CAG | CAH | CAC | H8 | 179.8° | 180.0° |
| OAY | CAH | CAG | OBA | 0.1° | 0.1° |
| CAH | OAY | CAZ | H5 | 180.0° | 179.9° |
| CAH | OAY | CAZ | H6 | 60.0° | 60.0° |
| CAH | OAY | CAZ | H7 | 60.0° | 60.0° |
| OAY | CAH | CAC | H8 | 0.0° | 0.1° |
| CAG | OBA | CBB | H1 | 180.0° | 60.0° |
| CAG | OBA | CBB | H2 | 60.0° | 180.0° |
| CAG | OBA | CBB | H3 | 60.0° | 59.9° |
| OBA | CAG | CAF | H4 | 0.1° | 0.1° |
| OAY | CAZ | H5 | H6 | 120.0° | 120.0° |
| OAY | CAZ | H5 | H7 | 120.0° | 120.1° |
| OAY | CAZ | H6 | H7 | 120.0° | 120.0° |
| OBA | CBB | H1 | H2 | 120.0° | 120.0° |
| OBA | CBB | H1 | H3 | 120.0° | 119.9° |
| OBA | CBB | H2 | H3 | 120.0° | 120.0° |
| H1 | CBB | H2 | H3 | 120.0° | 120.0° |
| H5 | CAZ | H6 | H7 | 120.0° | 120.0° |
| H11 | CBC | H12 | H13 | 120.0° | 120.0° |
| H15 | CAM | CAN | H16 | 0.3° | 0.1° |
| H17 | CAT | CAU | H18 | 0.3° | 0.1° |
| H18 | CAU | CAV | H19 | 0.0° | 0.1° |
| H19 | CAV | CAW | H20 | 0.0° | 0.0° |
| H20 | CAW | CAX | H21 | 0.3° | 0.3° |
