W74
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.21Å | |
| C2 | N3 | sing | 1.34Å | 1.39Å | |
| C2 | N1 | sing | 1.34Å | 1.35Å | |
| N3 | C4 | sing | 1.38Å | 1.39Å | |
| N1 | C6 | sing | 1.35Å | 1.39Å | |
| CAI | C4 | sing | 1.48Å | 1.41Å | |
| CAI | OAK | doub | 1.21Å | 1.23Å | |
| CAI | OAJ | sing | 1.35Å | 1.23Å | |
| C4 | C5 | doub | 1.36Å | 1.40Å | |
| C6 | C5 | sing | 1.47Å | 1.43Å | |
| C6 | O6 | doub | 1.22Å | 1.24Å | |
| C5 | CAL | sing | 1.51Å | 1.41Å | |
| FAX | CAU | sing | 1.40Å | 1.42Å | |
| CAL | CAM | sing | 1.53Å | 1.60Å | |
| CAU | FAV | sing | 1.40Å | 1.29Å | |
| CAU | FAW | sing | 1.40Å | 1.27Å | |
| CAU | OAT | sing | 1.43Å | 1.44Å | |
| CAO | CAP | doub | 1.38Å | 1.41Å | Aromatic |
| CAO | CAN | sing | 1.38Å | 1.38Å | Aromatic |
| CAP | CAQ | sing | 1.39Å | 1.41Å | Aromatic |
| CAM | CAN | sing | 1.51Å | 1.40Å | |
| CAN | CAS | doub | 1.38Å | 1.40Å | Aromatic |
| CAQ | OAT | sing | 1.36Å | 1.42Å | |
| CAQ | CAR | doub | 1.39Å | 1.41Å | Aromatic |
| CAS | CAR | sing | 1.38Å | 1.40Å | Aromatic |
| 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 | |
| CAO | H8 | sing | 1.08Å | 1.08Å | |
| CAP | H9 | sing | 1.08Å | 1.08Å | |
| CAR | H10 | sing | 1.08Å | 1.08Å | |
| CAS | H11 | sing | 1.08Å | 1.08Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 119.4° | 119.1° |
| O2 | C2 | N1 | 120.8° | 119.1° |
| N3 | C2 | N1 | 119.4° | 121.8° |
| C2 | N3 | C4 | 119.7° | 121.2° |
| C2 | N3 | H12 | 120.2° | 119.4° |
| C2 | N1 | C6 | 122.8° | 120.4° |
| C2 | N1 | H2 | 118.6° | 119.8° |
| N3 | C4 | CAI | 113.4° | 120.3° |
| N3 | C4 | C5 | 121.8° | 119.4° |
| C4 | N3 | H12 | 120.1° | 119.4° |
| N1 | C6 | C5 | 118.7° | 118.8° |
| N1 | C6 | O6 | 117.0° | 120.6° |
| C6 | N1 | H2 | 118.6° | 119.8° |
| C4 | CAI | OAK | 116.9° | 120.0° |
| C4 | CAI | OAJ | 124.4° | 120.0° |
| CAI | C4 | C5 | 124.5° | 120.3° |
| OAK | CAI | OAJ | 118.1° | 120.0° |
| CAI | OAJ | H1 | 109.5° | 117.0° |
| C4 | C5 | C6 | 117.4° | 118.4° |
| C4 | C5 | CAL | 122.8° | 120.8° |
| C5 | C6 | O6 | 124.2° | 120.6° |
| C6 | C5 | CAL | 119.8° | 120.8° |
| C5 | CAL | CAM | 109.4° | 109.4° |
| C5 | CAL | H4 | 109.5° | 109.5° |
| C5 | CAL | H5 | 109.5° | 109.5° |
| FAX | CAU | FAV | 109.8° | 109.5° |
| FAX | CAU | FAW | 110.3° | 109.5° |
| FAX | CAU | OAT | 110.4° | 109.4° |
| CAL | CAM | CAN | 110.7° | 109.5° |
| CAM | CAL | H4 | 109.5° | 109.4° |
| CAM | CAL | H5 | 109.5° | 109.5° |
| CAL | CAM | H6 | 109.2° | 109.5° |
| CAL | CAM | H7 | 109.2° | 109.5° |
| FAV | CAU | FAW | 108.9° | 109.5° |
| FAV | CAU | OAT | 108.3° | 109.4° |
| FAW | CAU | OAT | 109.0° | 109.5° |
| CAU | OAT | CAQ | 113.5° | 117.0° |
| CAP | CAO | CAN | 122.2° | 120.1° |
| CAO | CAP | CAQ | 120.2° | 119.9° |
| CAP | CAO | H8 | 118.9° | 120.0° |
| CAO | CAP | H9 | 119.9° | 120.0° |
| CAO | CAN | CAM | 119.8° | 120.0° |
| CAO | CAN | CAS | 118.2° | 120.1° |
| CAN | CAO | H8 | 118.9° | 120.0° |
| CAP | CAQ | OAT | 120.2° | 120.1° |
| CAP | CAQ | CAR | 116.5° | 119.9° |
| CAQ | CAP | H9 | 119.9° | 120.0° |
| CAM | CAN | CAS | 122.0° | 119.9° |
| CAN | CAM | H6 | 109.1° | 109.4° |
| CAN | CAM | H7 | 109.2° | 109.4° |
| CAN | CAS | CAR | 119.9° | 120.1° |
| CAN | CAS | H11 | 120.0° | 119.9° |
| OAT | CAQ | CAR | 123.4° | 120.0° |
| CAQ | CAR | CAS | 123.0° | 120.0° |
| CAQ | CAR | H10 | 118.5° | 120.0° |
| CAS | CAR | H10 | 118.5° | 120.0° |
| CAR | CAS | H11 | 120.1° | 120.0° |
| H4 | CAL | H5 | 109.5° | 109.5° |
| H6 | CAM | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 173.8° | 179.9° |
| O2 | C2 | N3 | C4 | 176.0° | 180.0° |
| O2 | C2 | N1 | C6 | 174.9° | 180.0° |
| O2 | C2 | N1 | H2 | 5.1° | 0.1° |
| O2 | C2 | N3 | H12 | 4.0° | 0.0° |
| C2 | N3 | C4 | H12 | 180.0° | 180.0° |
| N3 | C2 | N1 | C6 | 1.2° | 0.1° |
| C2 | N3 | C4 | CAI | 177.2° | 180.0° |
| C2 | N3 | C4 | C5 | 3.7° | 0.3° |
| N3 | C2 | N1 | H2 | 178.8° | 180.0° |
| N1 | C2 | N3 | C4 | 2.2° | 0.1° |
| C2 | N1 | C6 | H2 | 180.0° | 179.9° |
| C2 | N1 | C6 | C5 | 1.5° | 0.3° |
| C2 | N1 | C6 | O6 | 178.0° | 179.9° |
| N1 | C2 | N3 | H12 | 177.8° | 180.0° |
| N3 | C4 | CAI | C5 | 173.3° | 179.8° |
| N3 | C4 | CAI | OAK | 57.6° | 174.0° |
| N3 | C4 | CAI | OAJ | 131.1° | 6.0° |
| N3 | C4 | C5 | C6 | 3.8° | 0.5° |
| N3 | C4 | C5 | CAL | 177.7° | 179.7° |
| N1 | C6 | C5 | C4 | 2.7° | 0.5° |
| N1 | C6 | C5 | O6 | 176.2° | 179.6° |
| N1 | C6 | C5 | CAL | 178.8° | 179.7° |
| C4 | CAI | OAK | OAJ | 171.9° | 179.9° |
| CAI | C4 | C5 | C6 | 176.7° | 179.8° |
| CAI | C4 | C5 | CAL | 4.9° | 0.1° |
| C4 | CAI | OAJ | H1 | 171.2° | 180.0° |
| CAI | C4 | N3 | H12 | 2.8° | 0.0° |
| OAK | CAI | C4 | C5 | 115.8° | 6.2° |
| OAK | CAI | OAJ | H1 | 0.0° | 0.1° |
| OAJ | CAI | C4 | C5 | 55.5° | 173.7° |
| C4 | C5 | C6 | CAL | 178.5° | 179.8° |
| C4 | C5 | C6 | O6 | 178.9° | 179.9° |
| C4 | C5 | CAL | CAM | 118.4° | 91.5° |
| C4 | C5 | CAL | H4 | 1.6° | 148.6° |
| C4 | C5 | CAL | H5 | 121.6° | 28.5° |
| C5 | C4 | N3 | H12 | 176.4° | 179.8° |
| C6 | C5 | CAL | CAM | 63.2° | 88.3° |
| C5 | C6 | N1 | H2 | 178.5° | 179.8° |
| C6 | C5 | CAL | H4 | 176.9° | 31.6° |
| C6 | C5 | CAL | H5 | 56.8° | 151.6° |
| O6 | C6 | C5 | CAL | 2.6° | 0.0° |
| O6 | C6 | N1 | H2 | 2.0° | 0.2° |
| C5 | CAL | CAM | H4 | 120.0° | 119.9° |
| C5 | CAL | CAM | H5 | 120.0° | 120.0° |
| C5 | CAL | CAM | CAN | 73.8° | 180.0° |
| C5 | CAL | H4 | H5 | 120.0° | 120.1° |
| C5 | CAL | CAM | H6 | 166.1° | 60.1° |
| C5 | CAL | CAM | H7 | 46.4° | 60.0° |
| FAX | CAU | FAV | FAW | 120.9° | 120.0° |
| FAX | CAU | FAV | OAT | 120.6° | 119.9° |
| FAX | CAU | FAW | OAT | 121.4° | 120.0° |
| FAX | CAU | OAT | CAQ | 47.3° | 60.0° |
| CAL | CAM | CAN | CAO | 94.2° | 89.7° |
| CAL | CAM | CAN | H6 | 120.2° | 120.0° |
| CAL | CAM | CAN | H7 | 120.2° | 120.0° |
| CAL | CAM | CAN | CAS | 83.6° | 89.9° |
| CAM | CAL | H4 | H5 | 120.0° | 120.0° |
| CAL | CAM | H6 | H7 | 119.5° | 120.1° |
| FAV | CAU | FAW | OAT | 118.0° | 120.0° |
| FAV | CAU | OAT | CAQ | 167.6° | 59.9° |
| FAW | CAU | OAT | CAQ | 74.0° | 180.0° |
| CAU | OAT | CAQ | CAP | 104.1° | 180.0° |
| CAU | OAT | CAQ | CAR | 74.2° | 0.1° |
| CAP | CAO | CAN | H8 | 180.0° | 180.0° |
| CAO | CAP | CAQ | H9 | 180.0° | 179.9° |
| CAP | CAO | CAN | CAM | 177.7° | 179.9° |
| CAP | CAO | CAN | CAS | 0.2° | 0.3° |
| CAO | CAP | CAQ | OAT | 179.1° | 180.0° |
| CAO | CAP | CAQ | CAR | 2.4° | 0.1° |
| CAN | CAO | CAP | CAQ | 1.3° | 0.0° |
| CAO | CAN | CAM | CAS | 177.8° | 179.7° |
| CAO | CAN | CAS | CAR | 0.2° | 0.5° |
| CAO | CAN | CAM | H6 | 145.6° | 150.3° |
| CAO | CAN | CAM | H7 | 25.9° | 30.3° |
| CAN | CAO | CAP | H9 | 178.7° | 179.9° |
| CAO | CAN | CAS | H11 | 179.8° | 179.7° |
| CAP | CAQ | OAT | CAR | 178.4° | 179.9° |
| CAP | CAQ | CAR | CAS | 2.5° | 0.2° |
| CAQ | CAP | CAO | H8 | 178.7° | 180.0° |
| CAP | CAQ | CAR | H10 | 177.4° | 180.0° |
| CAM | CAN | CAS | CAR | 177.6° | 179.8° |
| CAN | CAM | CAL | H4 | 46.2° | 60.0° |
| CAN | CAM | CAL | H5 | 166.2° | 60.0° |
| CAN | CAM | H6 | H7 | 119.5° | 119.9° |
| CAM | CAN | CAO | H8 | 2.2° | 0.0° |
| CAM | CAN | CAS | H11 | 2.4° | 0.1° |
| CAN | CAS | CAR | CAQ | 1.5° | 0.5° |
| CAN | CAS | CAR | H11 | 180.0° | 179.7° |
| CAS | CAN | CAM | H6 | 36.6° | 30.0° |
| CAS | CAN | CAM | H7 | 156.2° | 150.0° |
| CAS | CAN | CAO | H8 | 179.8° | 179.7° |
| CAN | CAS | CAR | H10 | 178.5° | 179.7° |
| OAT | CAQ | CAR | CAS | 179.0° | 179.7° |
| OAT | CAQ | CAP | H9 | 0.9° | 0.1° |
| OAT | CAQ | CAR | H10 | 1.0° | 0.1° |
| CAQ | CAR | CAS | H10 | 180.0° | 179.8° |
| CAR | CAQ | CAP | H9 | 177.6° | 180.0° |
| CAQ | CAR | CAS | H11 | 178.5° | 179.8° |
| H4 | CAL | CAM | H6 | 73.9° | 180.0° |
| H4 | CAL | CAM | H7 | 166.4° | 60.0° |
| H5 | CAL | CAM | H6 | 46.1° | 59.9° |
| H5 | CAL | CAM | H7 | 73.6° | 180.0° |
| H8 | CAO | CAP | H9 | 1.3° | 0.1° |
| H10 | CAR | CAS | H11 | 1.5° | 0.1° |
