W7A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAY | CAU | doub | 1.38Å | 1.40Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.39Å | Aromatic |
| CAU | CAT | sing | 1.39Å | 1.42Å | Aromatic |
| CAR | CAS | doub | 1.38Å | 1.44Å | Aromatic |
| CAR | CAQ | sing | 1.39Å | 1.42Å | Aromatic |
| CAS | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAX | CAW | doub | 1.38Å | 1.38Å | Aromatic |
| CAT | CAQ | sing | 1.48Å | 1.44Å | |
| CAT | CAV | doub | 1.39Å | 1.43Å | Aromatic |
| CAQ | CAP | doub | 1.39Å | 1.41Å | Aromatic |
| CAN | CAM | sing | 1.51Å | 1.45Å | |
| CAN | CAO | doub | 1.38Å | 1.42Å | Aromatic |
| CAW | CAV | sing | 1.38Å | 1.41Å | Aromatic |
| CAM | CAL | sing | 1.53Å | 1.53Å | |
| CAP | CAO | sing | 1.38Å | 1.42Å | Aromatic |
| CAL | C5 | sing | 1.51Å | 1.44Å | |
| O6 | C6 | doub | 1.22Å | 1.25Å | |
| C5 | C6 | sing | 1.47Å | 1.43Å | |
| C5 | C4 | doub | 1.36Å | 1.36Å | |
| C6 | N1 | sing | 1.35Å | 1.40Å | |
| C4 | CAI | sing | 1.48Å | 1.49Å | |
| C4 | N3 | sing | 1.38Å | 1.44Å | |
| OAK | CAI | doub | 1.21Å | 1.28Å | |
| CAI | OAJ | sing | 1.35Å | 1.24Å | |
| N1 | C2 | sing | 1.35Å | 1.38Å | |
| N3 | C2 | sing | 1.34Å | 1.38Å | |
| C2 | O2 | doub | 1.22Å | 1.25Å | |
| OAJ | H1 | sing | 0.97Å | 0.95Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| CAL | H4 | sing | 1.09Å | 1.10Å | |
| CAL | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAM | H7 | sing | 1.09Å | 1.10Å | |
| CAS | H8 | sing | 1.08Å | 1.08Å | |
| CAR | H9 | sing | 1.08Å | 1.08Å | |
| CAO | H10 | sing | 1.08Å | 1.08Å | |
| CAP | H11 | sing | 1.08Å | 1.08Å | |
| CAU | H12 | sing | 1.08Å | 1.08Å | |
| CAY | H13 | sing | 1.08Å | 1.08Å | |
| CAX | H14 | sing | 1.08Å | 1.08Å | |
| CAW | H15 | sing | 1.08Å | 1.08Å | |
| CAV | H16 | sing | 1.08Å | 1.08Å | |
| N3 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAU | CAY | CAX | 120.3° | 120.1° |
| CAY | CAU | CAT | 119.9° | 119.9° |
| CAY | CAU | H12 | 120.1° | 120.1° |
| CAU | CAY | H13 | 119.8° | 119.9° |
| CAY | CAX | CAW | 122.0° | 120.3° |
| CAX | CAY | H13 | 119.8° | 120.0° |
| CAY | CAX | H14 | 119.0° | 119.8° |
| CAU | CAT | CAQ | 120.8° | 120.1° |
| CAU | CAT | CAV | 117.5° | 119.8° |
| CAT | CAU | H12 | 120.0° | 120.1° |
| CAS | CAR | CAQ | 124.5° | 119.9° |
| CAR | CAS | CAN | 122.1° | 120.1° |
| CAR | CAS | H8 | 119.0° | 119.9° |
| CAS | CAR | H9 | 117.8° | 120.1° |
| CAR | CAQ | CAT | 125.2° | 120.1° |
| CAR | CAQ | CAP | 113.4° | 119.8° |
| CAQ | CAR | H9 | 117.8° | 120.0° |
| CAS | CAN | CAM | 122.9° | 119.9° |
| CAS | CAN | CAO | 113.2° | 120.2° |
| CAN | CAS | H8 | 118.9° | 119.9° |
| CAX | CAW | CAV | 118.2° | 120.1° |
| CAW | CAX | H14 | 119.0° | 119.9° |
| CAX | CAW | H15 | 120.9° | 120.0° |
| CAQ | CAT | CAV | 121.6° | 120.1° |
| CAT | CAQ | CAP | 121.4° | 120.1° |
| CAT | CAV | CAW | 121.9° | 119.9° |
| CAT | CAV | H16 | 119.0° | 120.1° |
| CAQ | CAP | CAO | 120.7° | 119.8° |
| CAQ | CAP | H11 | 119.6° | 120.1° |
| CAM | CAN | CAO | 123.8° | 119.9° |
| CAN | CAM | CAL | 110.0° | 109.5° |
| CAN | CAM | H6 | 109.3° | 109.5° |
| CAN | CAM | H7 | 109.3° | 109.5° |
| CAN | CAO | CAP | 126.1° | 120.1° |
| CAN | CAO | H10 | 116.9° | 120.0° |
| CAV | CAW | H15 | 120.9° | 119.9° |
| CAW | CAV | H16 | 119.0° | 120.0° |
| CAM | CAL | C5 | 111.8° | 109.5° |
| CAM | CAL | H4 | 108.9° | 109.5° |
| CAM | CAL | H5 | 108.9° | 109.5° |
| CAL | CAM | H6 | 109.3° | 109.5° |
| CAL | CAM | H7 | 109.3° | 109.5° |
| CAP | CAO | H10 | 117.0° | 119.9° |
| CAO | CAP | H11 | 119.6° | 120.0° |
| CAL | C5 | C6 | 116.0° | 120.8° |
| CAL | C5 | C4 | 124.5° | 120.8° |
| C5 | CAL | H4 | 108.9° | 109.5° |
| C5 | CAL | H5 | 108.9° | 109.5° |
| O6 | C6 | C5 | 123.7° | 120.6° |
| O6 | C6 | N1 | 119.9° | 120.6° |
| C6 | C5 | C4 | 119.2° | 118.4° |
| C5 | C6 | N1 | 116.1° | 118.8° |
| C5 | C4 | CAI | 126.1° | 120.3° |
| C5 | C4 | N3 | 121.3° | 119.3° |
| C6 | N1 | C2 | 126.5° | 120.4° |
| C6 | N1 | H2 | 116.8° | 119.8° |
| CAI | C4 | N3 | 112.6° | 120.3° |
| C4 | CAI | OAK | 119.0° | 120.0° |
| C4 | CAI | OAJ | 115.1° | 120.0° |
| C4 | N3 | C2 | 121.1° | 121.2° |
| C4 | N3 | H17 | 119.5° | 119.4° |
| OAK | CAI | OAJ | 126.0° | 120.0° |
| CAI | OAJ | H1 | 109.5° | 116.9° |
| N1 | C2 | N3 | 115.1° | 121.8° |
| N1 | C2 | O2 | 124.1° | 119.1° |
| C2 | N1 | H2 | 116.7° | 119.8° |
| N3 | C2 | O2 | 120.7° | 119.1° |
| C2 | N3 | H17 | 119.4° | 119.4° |
| H4 | CAL | H5 | 109.4° | 109.4° |
| H6 | CAM | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAU | CAY | CAX | H13 | 180.0° | 180.0° |
| CAY | CAU | CAT | H12 | 180.0° | 180.0° |
| CAU | CAY | CAX | CAW | 1.2° | 0.0° |
| CAY | CAU | CAT | CAQ | 179.6° | 180.0° |
| CAY | CAU | CAT | CAV | 4.8° | 0.2° |
| CAU | CAY | CAX | H14 | 178.8° | 179.9° |
| CAX | CAY | CAU | CAT | 3.0° | 0.0° |
| CAY | CAX | CAW | H14 | 180.0° | 180.0° |
| CAY | CAX | CAW | CAV | 3.2° | 0.2° |
| CAX | CAY | CAU | H12 | 177.1° | 179.9° |
| CAY | CAX | CAW | H15 | 176.8° | 180.0° |
| CAU | CAT | CAQ | CAR | 12.3° | 0.2° |
| CAU | CAT | CAQ | CAV | 175.4° | 179.8° |
| CAU | CAT | CAQ | CAP | 168.1° | 179.5° |
| CAU | CAT | CAV | CAW | 2.8° | 0.5° |
| CAT | CAU | CAY | H13 | 177.0° | 180.0° |
| CAU | CAT | CAV | H16 | 177.2° | 179.7° |
| CAS | CAR | CAQ | H9 | 180.0° | 179.9° |
| CAR | CAS | CAN | H8 | 180.0° | 179.9° |
| CAS | CAR | CAQ | CAT | 179.4° | 180.0° |
| CAS | CAR | CAQ | CAP | 0.2° | 0.3° |
| CAR | CAS | CAN | CAM | 176.8° | 180.0° |
| CAR | CAS | CAN | CAO | 1.7° | 0.2° |
| CAQ | CAR | CAS | CAN | 0.7° | 0.0° |
| CAR | CAQ | CAT | CAP | 179.6° | 179.7° |
| CAR | CAQ | CAT | CAV | 172.2° | 180.0° |
| CAR | CAQ | CAP | CAO | 1.0° | 0.3° |
| CAQ | CAR | CAS | H8 | 179.3° | 179.9° |
| CAR | CAQ | CAP | H11 | 179.0° | 179.8° |
| CAS | CAN | CAM | CAO | 178.4° | 179.8° |
| CAS | CAN | CAM | CAL | 101.6° | 89.7° |
| CAS | CAN | CAO | CAP | 2.6° | 0.2° |
| CAS | CAN | CAM | H6 | 138.4° | 150.3° |
| CAS | CAN | CAM | H7 | 18.5° | 30.3° |
| CAN | CAS | CAR | H9 | 179.4° | 180.0° |
| CAS | CAN | CAO | H10 | 177.4° | 179.7° |
| CAX | CAW | CAV | CAT | 1.1° | 0.5° |
| CAX | CAW | CAV | H15 | 180.0° | 179.8° |
| CAW | CAX | CAY | H13 | 178.8° | 180.0° |
| CAX | CAW | CAV | H16 | 178.8° | 179.6° |
| CAQ | CAT | CAV | CAW | 178.4° | 179.7° |
| CAT | CAQ | CAP | CAO | 178.6° | 180.0° |
| CAT | CAQ | CAR | H9 | 0.6° | 0.1° |
| CAT | CAQ | CAP | H11 | 1.4° | 0.1° |
| CAQ | CAT | CAU | H12 | 0.4° | 0.0° |
| CAQ | CAT | CAV | H16 | 1.6° | 0.1° |
| CAV | CAT | CAQ | CAP | 7.4° | 0.3° |
| CAT | CAV | CAW | H16 | 180.0° | 179.8° |
| CAV | CAT | CAU | H12 | 175.2° | 179.8° |
| CAT | CAV | CAW | H15 | 178.8° | 179.7° |
| CAQ | CAP | CAO | CAN | 2.4° | 0.1° |
| CAQ | CAP | CAO | H11 | 180.0° | 179.9° |
| CAP | CAQ | CAR | H9 | 179.8° | 179.8° |
| CAQ | CAP | CAO | H10 | 177.6° | 180.0° |
| CAN | CAM | CAL | H6 | 120.1° | 120.0° |
| CAN | CAM | CAL | H7 | 120.1° | 120.0° |
| CAM | CAN | CAO | CAP | 175.9° | 179.9° |
| CAN | CAM | CAL | C5 | 82.3° | 180.0° |
| CAN | CAM | CAL | H4 | 157.4° | 60.0° |
| CAN | CAM | CAL | H5 | 38.1° | 59.9° |
| CAN | CAM | H6 | H7 | 119.8° | 120.0° |
| CAM | CAN | CAS | H8 | 3.2° | 0.1° |
| CAM | CAN | CAO | H10 | 4.1° | 0.1° |
| CAO | CAN | CAM | CAL | 76.8° | 90.0° |
| CAN | CAO | CAP | H10 | 180.0° | 179.9° |
| CAO | CAN | CAM | H6 | 43.3° | 30.0° |
| CAO | CAN | CAM | H7 | 163.1° | 149.9° |
| CAO | CAN | CAS | H8 | 178.3° | 179.8° |
| CAN | CAO | CAP | H11 | 177.6° | 180.0° |
| CAV | CAW | CAX | H14 | 176.8° | 179.8° |
| CAM | CAL | C5 | H4 | 120.4° | 120.0° |
| CAM | CAL | C5 | H5 | 120.4° | 120.0° |
| CAM | CAL | C5 | C6 | 67.8° | 88.2° |
| CAM | CAL | C5 | C4 | 106.6° | 91.4° |
| CAM | CAL | H4 | H5 | 119.0° | 120.0° |
| CAL | CAM | H6 | H7 | 119.7° | 120.0° |
| CAL | C5 | C6 | O6 | 6.3° | 0.3° |
| CAL | C5 | C6 | C4 | 174.7° | 179.6° |
| CAL | C5 | C6 | N1 | 179.9° | 180.0° |
| CAL | C5 | C4 | CAI | 4.4° | 0.2° |
| CAL | C5 | C4 | N3 | 176.5° | 180.0° |
| C5 | CAL | H4 | H5 | 118.9° | 120.0° |
| C5 | CAL | CAM | H6 | 37.8° | 60.0° |
| C5 | CAL | CAM | H7 | 157.6° | 60.0° |
| O6 | C6 | C5 | N1 | 173.8° | 179.7° |
| O6 | C6 | C5 | C4 | 179.0° | 179.8° |
| O6 | C6 | N1 | C2 | 176.6° | 180.0° |
| O6 | C6 | N1 | H2 | 3.4° | 0.1° |
| C6 | C5 | C4 | CAI | 178.6° | 179.8° |
| C6 | C5 | C4 | N3 | 2.3° | 0.5° |
| C5 | C6 | N1 | C2 | 9.4° | 0.3° |
| C5 | C6 | N1 | H2 | 170.6° | 179.8° |
| C6 | C5 | CAL | H4 | 52.6° | 31.8° |
| C6 | C5 | CAL | H5 | 171.8° | 151.8° |
| C4 | C5 | C6 | N1 | 5.3° | 0.5° |
| C5 | C4 | CAI | N3 | 179.1° | 179.8° |
| C5 | C4 | CAI | OAK | 46.2° | 6.2° |
| C5 | C4 | CAI | OAJ | 132.9° | 173.7° |
| C5 | C4 | N3 | C2 | 2.6° | 0.3° |
| C4 | C5 | CAL | H4 | 133.1° | 148.6° |
| C4 | C5 | CAL | H5 | 13.8° | 28.7° |
| C5 | C4 | N3 | H17 | 177.4° | 179.8° |
| C6 | N1 | C2 | H2 | 180.0° | 179.9° |
| C6 | N1 | C2 | N3 | 9.5° | 0.1° |
| C6 | N1 | C2 | O2 | 173.2° | 180.0° |
| C4 | CAI | OAK | OAJ | 179.0° | 179.9° |
| CAI | C4 | N3 | C2 | 178.2° | 179.9° |
| C4 | CAI | OAJ | H1 | 179.1° | 180.0° |
| CAI | C4 | N3 | H17 | 1.8° | 0.0° |
| N3 | C4 | CAI | OAK | 132.9° | 174.0° |
| N3 | C4 | CAI | OAJ | 48.0° | 6.1° |
| C4 | N3 | C2 | N1 | 5.6° | 0.1° |
| C4 | N3 | C2 | H17 | 180.0° | 179.9° |
| C4 | N3 | C2 | O2 | 177.0° | 180.0° |
| OAK | CAI | OAJ | H1 | 0.0° | 0.1° |
| N1 | C2 | N3 | O2 | 177.4° | 179.9° |
| N1 | C2 | N3 | H17 | 174.4° | 180.0° |
| N3 | C2 | N1 | H2 | 170.5° | 180.0° |
| O2 | C2 | N1 | H2 | 6.8° | 0.1° |
| O2 | C2 | N3 | H17 | 3.0° | 0.1° |
| H4 | CAL | CAM | H6 | 82.6° | 180.0° |
| H4 | CAL | CAM | H7 | 37.3° | 60.0° |
| H5 | CAL | CAM | H6 | 158.2° | 60.0° |
| H5 | CAL | CAM | H7 | 82.0° | 180.0° |
| H8 | CAS | CAR | H9 | 0.7° | 0.0° |
| H10 | CAO | CAP | H11 | 2.4° | 0.2° |
| H12 | CAU | CAY | H13 | 2.9° | 0.0° |
| H13 | CAY | CAX | H14 | 1.2° | 0.0° |
| H14 | CAX | CAW | H15 | 3.2° | 0.0° |
| H15 | CAW | CAV | H16 | 1.2° | 0.1° |
