W70
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAZ | CAY | doub | 1.38Å | 1.39Å | Aromatic |
| CAZ | CAV | sing | 1.38Å | 1.39Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAV | CAW | doub | 1.38Å | 1.40Å | Aromatic |
| CAX | CAU | doub | 1.39Å | 1.39Å | Aromatic |
| CAW | CAU | sing | 1.39Å | 1.39Å | Aromatic |
| CAU | OAT | sing | 1.36Å | 1.37Å | |
| CAR | CAS | doub | 1.38Å | 1.39Å | Aromatic |
| CAR | CAQ | sing | 1.39Å | 1.39Å | Aromatic |
| OAT | CAQ | sing | 1.36Å | 1.37Å | |
| CAS | CAN | sing | 1.38Å | 1.39Å | Aromatic |
| CAQ | CAP | doub | 1.39Å | 1.40Å | Aromatic |
| CAN | CAM | sing | 1.51Å | 1.41Å | |
| CAN | CAO | doub | 1.38Å | 1.38Å | Aromatic |
| CAP | CAO | sing | 1.38Å | 1.40Å | Aromatic |
| CAM | CAL | sing | 1.53Å | 1.55Å | |
| CAL | C5 | sing | 1.51Å | 1.38Å | |
| O6 | C6 | doub | 1.22Å | 1.24Å | |
| C5 | C6 | sing | 1.47Å | 1.40Å | |
| C5 | C4 | doub | 1.36Å | 1.40Å | |
| C6 | N1 | sing | 1.35Å | 1.41Å | |
| OAJ | CAI | doub | 1.21Å | 1.24Å | |
| C4 | CAI | sing | 1.48Å | 1.42Å | |
| C4 | N3 | sing | 1.38Å | 1.41Å | |
| CAI | OAK | sing | 1.35Å | 1.25Å | |
| N1 | C2 | sing | 1.34Å | 1.37Å | |
| N3 | C2 | sing | 1.34Å | 1.42Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| OAK | H1 | sing | 0.97Å | 0.95Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | 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 | |
| CAW | H12 | sing | 1.08Å | 1.08Å | |
| CAV | H13 | sing | 1.08Å | 1.08Å | |
| CAZ | H14 | sing | 1.08Å | 1.08Å | |
| CAY | H15 | sing | 1.08Å | 1.08Å | |
| CAX | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAY | CAZ | CAV | 118.8° | 120.1° |
| CAZ | CAY | CAX | 120.5° | 120.1° |
| CAY | CAZ | H14 | 120.6° | 120.0° |
| CAZ | CAY | H15 | 119.7° | 119.9° |
| CAZ | CAV | CAW | 120.4° | 120.1° |
| CAZ | CAV | H13 | 119.8° | 120.0° |
| CAV | CAZ | H14 | 120.6° | 119.9° |
| CAY | CAX | CAU | 120.4° | 119.9° |
| CAX | CAY | H15 | 119.7° | 120.0° |
| CAY | CAX | H16 | 119.8° | 120.0° |
| CAV | CAW | CAU | 120.8° | 119.9° |
| CAV | CAW | H12 | 119.6° | 120.1° |
| CAW | CAV | H13 | 119.8° | 119.9° |
| CAX | CAU | CAW | 119.0° | 119.9° |
| CAX | CAU | OAT | 120.8° | 120.0° |
| CAU | CAX | H16 | 119.8° | 120.0° |
| CAW | CAU | OAT | 120.1° | 120.1° |
| CAU | CAW | H12 | 119.6° | 120.0° |
| CAU | OAT | CAQ | 118.4° | 118.0° |
| CAS | CAR | CAQ | 119.2° | 120.0° |
| CAR | CAS | CAN | 122.5° | 120.0° |
| CAR | CAS | H8 | 118.8° | 120.0° |
| CAS | CAR | H9 | 120.4° | 120.0° |
| CAR | CAQ | OAT | 122.5° | 120.1° |
| CAR | CAQ | CAP | 118.5° | 119.9° |
| CAQ | CAR | H9 | 120.4° | 120.0° |
| OAT | CAQ | CAP | 118.9° | 120.0° |
| CAS | CAN | CAM | 119.1° | 119.9° |
| CAS | CAN | CAO | 118.4° | 120.1° |
| CAN | CAS | H8 | 118.8° | 120.0° |
| CAQ | CAP | CAO | 121.6° | 119.9° |
| CAQ | CAP | H11 | 119.2° | 120.0° |
| CAM | CAN | CAO | 122.5° | 120.0° |
| CAN | CAM | CAL | 105.7° | 109.5° |
| CAN | CAM | H6 | 110.4° | 109.5° |
| CAN | CAM | H7 | 110.4° | 109.5° |
| CAN | CAO | CAP | 119.8° | 120.1° |
| CAN | CAO | H10 | 120.1° | 120.0° |
| CAP | CAO | H10 | 120.1° | 119.9° |
| CAO | CAP | H11 | 119.2° | 120.1° |
| CAM | CAL | C5 | 106.6° | 109.5° |
| CAM | CAL | H4 | 110.2° | 109.5° |
| CAM | CAL | H5 | 110.2° | 109.5° |
| CAL | CAM | H6 | 110.4° | 109.5° |
| CAL | CAM | H7 | 110.4° | 109.5° |
| CAL | C5 | C6 | 120.1° | 120.8° |
| CAL | C5 | C4 | 119.9° | 120.8° |
| C5 | CAL | H4 | 110.2° | 109.5° |
| C5 | CAL | H5 | 110.2° | 109.5° |
| O6 | C6 | C5 | 122.0° | 120.6° |
| O6 | C6 | N1 | 117.4° | 120.6° |
| C6 | C5 | C4 | 119.8° | 118.4° |
| C5 | C6 | N1 | 120.6° | 118.8° |
| C5 | C4 | CAI | 122.3° | 120.3° |
| C5 | C4 | N3 | 118.2° | 119.4° |
| C6 | N1 | C2 | 121.2° | 120.4° |
| C6 | N1 | H3 | 119.4° | 119.8° |
| OAJ | CAI | C4 | 121.9° | 120.0° |
| OAJ | CAI | OAK | 117.9° | 120.0° |
| CAI | C4 | N3 | 119.5° | 120.3° |
| C4 | CAI | OAK | 120.1° | 120.0° |
| C4 | N3 | C2 | 122.3° | 121.2° |
| C4 | N3 | H2 | 118.8° | 119.4° |
| CAI | OAK | H1 | 109.5° | 117.0° |
| N1 | C2 | N3 | 117.9° | 121.8° |
| N1 | C2 | O2 | 118.9° | 119.1° |
| C2 | N1 | H3 | 119.4° | 119.8° |
| N3 | C2 | O2 | 123.2° | 119.1° |
| C2 | N3 | H2 | 118.9° | 119.4° |
| H4 | CAL | H5 | 109.5° | 109.4° |
| H6 | CAM | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAY | CAZ | CAV | H14 | 180.0° | 179.7° |
| CAZ | CAY | CAX | H15 | 180.0° | 179.7° |
| CAY | CAZ | CAV | CAW | 0.2° | 0.0° |
| CAZ | CAY | CAX | CAU | 1.0° | 0.5° |
| CAY | CAZ | CAV | H13 | 179.8° | 180.0° |
| CAZ | CAY | CAX | H16 | 179.0° | 179.9° |
| CAV | CAZ | CAY | CAX | 0.4° | 0.3° |
| CAZ | CAV | CAW | H13 | 180.0° | 179.9° |
| CAZ | CAV | CAW | CAU | 0.6° | 0.1° |
| CAZ | CAV | CAW | H12 | 179.4° | 179.9° |
| CAV | CAZ | CAY | H15 | 179.6° | 180.0° |
| CAY | CAX | CAU | H16 | 180.0° | 179.5° |
| CAY | CAX | CAU | CAW | 1.4° | 0.5° |
| CAY | CAX | CAU | OAT | 179.7° | 179.7° |
| CAX | CAY | CAZ | H14 | 179.6° | 180.0° |
| CAV | CAW | CAU | CAX | 1.2° | 0.2° |
| CAV | CAW | CAU | H12 | 180.0° | 180.0° |
| CAV | CAW | CAU | OAT | 179.5° | 180.0° |
| CAW | CAV | CAZ | H14 | 179.8° | 179.7° |
| CAX | CAU | CAW | OAT | 178.4° | 179.8° |
| CAX | CAU | OAT | CAQ | 96.3° | 174.9° |
| CAX | CAU | CAW | H12 | 178.8° | 179.8° |
| CAU | CAX | CAY | H15 | 179.0° | 179.8° |
| CAW | CAU | OAT | CAQ | 85.4° | 4.8° |
| CAU | CAW | CAV | H13 | 179.4° | 180.0° |
| CAW | CAU | CAX | H16 | 178.6° | 180.0° |
| CAU | OAT | CAQ | CAR | 24.3° | 104.3° |
| CAU | OAT | CAQ | CAP | 156.5° | 75.9° |
| OAT | CAU | CAW | H12 | 0.4° | 0.1° |
| OAT | CAU | CAX | H16 | 0.2° | 0.2° |
| CAS | CAR | CAQ | H9 | 180.0° | 180.0° |
| CAS | CAR | CAQ | OAT | 179.6° | 180.0° |
| CAR | CAS | CAN | H8 | 180.0° | 180.0° |
| CAS | CAR | CAQ | CAP | 0.4° | 0.2° |
| CAR | CAS | CAN | CAM | 179.0° | 179.9° |
| CAR | CAS | CAN | CAO | 0.5° | 0.3° |
| CAR | CAQ | OAT | CAP | 179.2° | 179.8° |
| CAQ | CAR | CAS | CAN | 0.3° | 0.0° |
| CAR | CAQ | CAP | CAO | 1.0° | 0.2° |
| CAQ | CAR | CAS | H8 | 179.6° | 180.0° |
| CAR | CAQ | CAP | H11 | 179.0° | 179.7° |
| OAT | CAQ | CAP | CAO | 179.7° | 180.0° |
| OAT | CAQ | CAR | H9 | 0.3° | 0.0° |
| OAT | CAQ | CAP | H11 | 0.3° | 0.1° |
| CAS | CAN | CAM | CAO | 178.5° | 179.7° |
| CAS | CAN | CAO | CAP | 0.1° | 0.3° |
| CAS | CAN | CAM | CAL | 105.0° | 89.7° |
| CAS | CAN | CAM | H6 | 135.6° | 150.3° |
| CAS | CAN | CAM | H7 | 14.4° | 30.3° |
| CAN | CAS | CAR | H9 | 179.7° | 179.9° |
| CAS | CAN | CAO | H10 | 179.9° | 179.7° |
| CAQ | CAP | CAO | CAN | 0.9° | 0.0° |
| CAQ | CAP | CAO | H11 | 180.0° | 179.9° |
| CAP | CAQ | CAR | H9 | 179.6° | 179.8° |
| CAQ | CAP | CAO | H10 | 179.1° | 180.0° |
| CAM | CAN | CAO | CAP | 178.4° | 179.9° |
| CAN | CAM | CAL | H6 | 119.4° | 120.0° |
| CAN | CAM | CAL | H7 | 119.4° | 120.0° |
| CAN | CAM | CAL | C5 | 102.0° | NaN° |
| CAN | CAM | CAL | H4 | 138.4° | 60.0° |
| CAN | CAM | CAL | H5 | 17.5° | 60.0° |
| CAN | CAM | H6 | H7 | 121.7° | 120.0° |
| CAM | CAN | CAS | H8 | 1.0° | 0.0° |
| CAM | CAN | CAO | H10 | 1.6° | 0.0° |
| CAN | CAO | CAP | H10 | 180.0° | 179.9° |
| CAO | CAN | CAM | CAL | 73.5° | 90.0° |
| CAO | CAN | CAM | H6 | 45.9° | 30.0° |
| CAO | CAN | CAM | H7 | 167.1° | 150.0° |
| CAO | CAN | CAS | H8 | 179.5° | 179.7° |
| CAN | CAO | CAP | H11 | 179.1° | 179.9° |
| CAM | CAL | C5 | H4 | 119.6° | 120.0° |
| CAM | CAL | C5 | H5 | 119.5° | 120.0° |
| CAM | CAL | C5 | C6 | 57.3° | 88.2° |
| CAM | CAL | C5 | C4 | 118.9° | 91.3° |
| CAM | CAL | H4 | H5 | 121.3° | 120.0° |
| CAL | CAM | H6 | H7 | 121.7° | 120.0° |
| CAL | C5 | C6 | O6 | 4.2° | 0.2° |
| CAL | C5 | C6 | C4 | 176.3° | 179.5° |
| CAL | C5 | C6 | N1 | 177.1° | 180.0° |
| CAL | C5 | C4 | CAI | 3.6° | 0.2° |
| CAL | C5 | C4 | N3 | 177.1° | 179.9° |
| C5 | CAL | H4 | H5 | 121.3° | 120.0° |
| C5 | CAL | CAM | H6 | 17.4° | 60.0° |
| C5 | CAL | CAM | H7 | 138.5° | 60.0° |
| O6 | C6 | C5 | N1 | 178.7° | 179.8° |
| O6 | C6 | C5 | C4 | 179.5° | 179.7° |
| O6 | C6 | N1 | C2 | 179.0° | 180.0° |
| O6 | C6 | N1 | H3 | 1.0° | 0.0° |
| C6 | C5 | C4 | CAI | 179.9° | 179.8° |
| C6 | C5 | C4 | N3 | 0.9° | 0.5° |
| C5 | C6 | N1 | C2 | 0.2° | 0.2° |
| C5 | C6 | N1 | H3 | 179.8° | 179.8° |
| C6 | C5 | CAL | H4 | 62.2° | 31.8° |
| C6 | C5 | CAL | H5 | 176.9° | 151.8° |
| C4 | C5 | C6 | N1 | 0.8° | 0.5° |
| C5 | C4 | CAI | OAJ | 122.0° | 6.2° |
| C5 | C4 | CAI | N3 | 179.2° | 179.7° |
| C5 | C4 | CAI | OAK | 58.6° | 173.5° |
| C5 | C4 | N3 | C2 | 0.4° | 0.3° |
| C5 | C4 | N3 | H2 | 179.6° | 179.8° |
| C4 | C5 | CAL | H4 | 121.5° | 148.7° |
| C4 | C5 | CAL | H5 | 0.6° | 28.7° |
| C6 | N1 | C2 | H3 | 180.0° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | O2 | 179.6° | 179.9° |
| OAJ | CAI | C4 | OAK | 179.4° | 179.7° |
| OAJ | CAI | C4 | N3 | 58.8° | 174.1° |
| OAJ | CAI | OAK | H1 | 0.0° | 0.0° |
| CAI | C4 | N3 | C2 | 179.7° | 180.0° |
| C4 | CAI | OAK | H1 | 179.4° | 179.7° |
| CAI | C4 | N3 | H2 | 0.3° | 0.1° |
| N3 | C4 | CAI | OAK | 120.6° | 6.2° |
| C4 | N3 | C2 | N1 | 0.2° | 0.0° |
| C4 | N3 | C2 | H2 | 180.0° | 179.9° |
| C4 | N3 | C2 | O2 | 179.6° | 180.0° |
| N1 | C2 | N3 | O2 | 179.8° | 179.9° |
| N1 | C2 | N3 | H2 | 179.8° | 180.0° |
| N3 | C2 | N1 | H3 | 179.8° | 180.0° |
| O2 | C2 | N3 | H2 | 0.4° | 0.1° |
| O2 | C2 | N1 | H3 | 0.4° | 0.0° |
| H4 | CAL | CAM | H6 | 102.2° | NaN° |
| H4 | CAL | CAM | H7 | 19.0° | 60.1° |
| H5 | CAL | CAM | H6 | 136.9° | 60.1° |
| H5 | CAL | CAM | H7 | 101.9° | 180.0° |
| H8 | CAS | CAR | H9 | 0.3° | 0.0° |
| H10 | CAO | CAP | H11 | 0.9° | 0.1° |
| H12 | CAW | CAV | H13 | 0.6° | 0.0° |
| H13 | CAV | CAZ | H14 | 0.2° | 0.2° |
| H14 | CAZ | CAY | H15 | 0.4° | 0.3° |
| H15 | CAY | CAX | H16 | 1.1° | 0.2° |
