WE7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | CAB | doub | 1.38Å | 1.39Å | Aromatic |
| CAA | CAF | sing | 1.38Å | 1.40Å | Aromatic |
| CAB | CAC | sing | 1.38Å | 1.39Å | Aromatic |
| CAF | CAE | doub | 1.38Å | 1.40Å | Aromatic |
| CAC | CLAJ | sing | 1.74Å | 1.69Å | |
| CAC | CAD | doub | 1.38Å | 1.41Å | Aromatic |
| CAE | CAD | sing | 1.38Å | 1.42Å | Aromatic |
| CAE | CLAI | sing | 1.74Å | 1.69Å | |
| CAD | CAG | sing | 1.51Å | 1.47Å | |
| CAG | N3 | sing | 1.46Å | 1.48Å | |
| N3 | C2 | sing | 1.34Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.38Å | 1.35Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.36Å | Aromatic |
| N9 | C4 | doub | 1.32Å | 1.34Å | Aromatic |
| N9 | C8 | sing | 1.34Å | 1.36Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
| CAU | CAV | doub | 1.38Å | 1.41Å | Aromatic |
| CAU | CAT | sing | 1.39Å | 1.43Å | Aromatic |
| CAV | CAW | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | CAT | sing | 1.48Å | 1.40Å | |
| C8 | N7 | doub | 1.32Å | 1.38Å | Aromatic |
| CAT | CAY | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C6 | sing | 1.34Å | 1.36Å | Aromatic |
| CAW | CAX | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.34Å | 1.37Å | Aromatic |
| CAY | CAX | sing | 1.38Å | 1.40Å | Aromatic |
| CAY | CAZ | sing | 1.51Å | 1.39Å | |
| C6 | N6 | sing | 1.37Å | 1.35Å | |
| CAF | H1 | sing | 1.08Å | 1.08Å | |
| CAA | H2 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.08Å | 1.08Å | |
| CAG | H4 | sing | 1.09Å | 1.10Å | |
| CAG | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.08Å | 1.08Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| N6 | H8 | sing | 0.97Å | 1.00Å | |
| CAU | H9 | sing | 1.08Å | 1.08Å | |
| CAV | H10 | sing | 1.08Å | 1.08Å | |
| CAW | H11 | sing | 1.08Å | 1.08Å | |
| CAX | H12 | sing | 1.08Å | 1.08Å | |
| CAZ | H13 | sing | 1.09Å | 1.10Å | |
| CAZ | H14 | sing | 1.09Å | 1.10Å | |
| CAZ | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAB | CAA | CAF | 118.2° | 120.1° |
| CAA | CAB | CAC | 121.1° | 120.0° |
| CAB | CAA | H2 | 120.9° | 119.9° |
| CAA | CAB | H3 | 119.4° | 120.0° |
| CAA | CAF | CAE | 120.8° | 120.0° |
| CAA | CAF | H1 | 119.6° | 120.0° |
| CAF | CAA | H2 | 120.9° | 120.0° |
| CAB | CAC | CLAJ | 115.5° | 120.0° |
| CAB | CAC | CAD | 122.3° | 120.0° |
| CAC | CAB | H3 | 119.5° | 120.0° |
| CAF | CAE | CAD | 121.4° | 120.0° |
| CAF | CAE | CLAI | 117.3° | 120.0° |
| CAE | CAF | H1 | 119.6° | 120.0° |
| CLAJ | CAC | CAD | 122.3° | 120.0° |
| CAC | CAD | CAE | 116.2° | 120.0° |
| CAC | CAD | CAG | 123.6° | 120.0° |
| CAD | CAE | CLAI | 121.3° | 120.0° |
| CAE | CAD | CAG | 120.2° | 120.0° |
| CAD | CAG | N3 | 112.3° | 109.5° |
| CAD | CAG | H4 | 108.8° | 109.4° |
| CAD | CAG | H5 | 108.8° | 109.4° |
| CAG | N3 | C2 | 118.5° | 120.1° |
| CAG | N3 | C4 | 123.5° | 120.1° |
| N3 | CAG | H4 | 108.8° | 109.5° |
| N3 | CAG | H5 | 108.8° | 109.5° |
| C2 | N3 | C4 | 117.9° | 119.8° |
| N3 | C2 | N1 | 121.6° | 122.4° |
| N3 | C2 | H6 | 119.2° | 118.8° |
| N3 | C4 | N9 | 127.6° | 134.9° |
| N3 | C4 | C5 | 122.5° | 118.4° |
| C2 | N1 | C6 | 119.7° | 122.0° |
| N1 | C2 | H6 | 119.2° | 118.8° |
| C4 | N9 | C8 | 107.1° | 108.6° |
| N9 | C4 | C5 | 109.9° | 106.7° |
| N9 | C8 | CAT | 129.5° | 125.0° |
| N9 | C8 | N7 | 108.9° | 109.9° |
| C4 | C5 | C6 | 117.9° | 118.3° |
| C4 | C5 | N7 | 106.9° | 106.6° |
| CAV | CAU | CAT | 124.5° | 119.9° |
| CAU | CAV | CAW | 118.5° | 120.1° |
| CAV | CAU | H9 | 117.8° | 120.1° |
| CAU | CAV | H10 | 120.8° | 120.0° |
| CAU | CAT | C8 | 120.7° | 120.1° |
| CAU | CAT | CAY | 114.2° | 119.8° |
| CAT | CAU | H9 | 117.8° | 120.1° |
| CAV | CAW | CAX | 118.7° | 120.3° |
| CAW | CAV | H10 | 120.8° | 119.9° |
| CAV | CAW | H11 | 120.6° | 119.9° |
| CAT | C8 | N7 | 121.6° | 125.1° |
| C8 | CAT | CAY | 125.0° | 120.1° |
| C8 | N7 | C5 | 107.2° | 108.2° |
| CAT | CAY | CAX | 121.6° | 119.8° |
| CAT | CAY | CAZ | 121.6° | 120.1° |
| N1 | C6 | C5 | 120.3° | 119.2° |
| N1 | C6 | N6 | 117.9° | 120.4° |
| CAW | CAX | CAY | 122.5° | 120.1° |
| CAX | CAW | H11 | 120.7° | 119.9° |
| CAW | CAX | H12 | 118.8° | 119.9° |
| C6 | C5 | N7 | 135.1° | 135.1° |
| C5 | C6 | N6 | 121.8° | 120.4° |
| CAX | CAY | CAZ | 116.8° | 120.1° |
| CAY | CAX | H12 | 118.7° | 119.9° |
| CAY | CAZ | H13 | 109.5° | 109.5° |
| CAY | CAZ | H14 | 109.5° | 109.5° |
| CAY | CAZ | H15 | 109.4° | 109.4° |
| C6 | N6 | H7 | 109.5° | 120.0° |
| C6 | N6 | H8 | 109.5° | 120.0° |
| H4 | CAG | H5 | 109.5° | 109.4° |
| H7 | N6 | H8 | 109.5° | 120.0° |
| H13 | CAZ | H14 | 109.5° | 109.5° |
| H13 | CAZ | H15 | 109.5° | 109.5° |
| H14 | CAZ | H15 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAB | CAA | CAF | H2 | 180.0° | 179.9° |
| CAA | CAB | CAC | H3 | 180.0° | 180.0° |
| CAB | CAA | CAF | CAE | 3.3° | 0.0° |
| CAA | CAB | CAC | CLAJ | 176.9° | 180.0° |
| CAA | CAB | CAC | CAD | 2.5° | 0.0° |
| CAB | CAA | CAF | H1 | 176.7° | 180.0° |
| CAF | CAA | CAB | CAC | 3.7° | 0.0° |
| CAA | CAF | CAE | H1 | 180.0° | 179.9° |
| CAA | CAF | CAE | CAD | 1.5° | 0.1° |
| CAA | CAF | CAE | CLAI | 178.1° | 179.7° |
| CAF | CAA | CAB | H3 | 176.3° | 179.9° |
| CAB | CAC | CLAJ | CAD | 179.4° | 180.0° |
| CAB | CAC | CAD | CAE | 0.6° | 0.1° |
| CAB | CAC | CAD | CAG | 178.8° | 179.8° |
| CAC | CAB | CAA | H2 | 176.3° | 179.9° |
| CAF | CAE | CAD | CAC | 0.2° | 0.1° |
| CAF | CAE | CAD | CLAI | 179.7° | 179.6° |
| CAF | CAE | CAD | CAG | 179.3° | 179.7° |
| CAE | CAF | CAA | H2 | 176.7° | 179.9° |
| CLAJ | CAC | CAD | CAE | 178.7° | 180.0° |
| CLAJ | CAC | CAD | CAG | 1.9° | 0.2° |
| CLAJ | CAC | CAB | H3 | 3.1° | 0.1° |
| CAC | CAD | CAE | CAG | 179.5° | 179.9° |
| CAC | CAD | CAE | CLAI | 179.5° | 179.7° |
| CAC | CAD | CAG | N3 | 53.1° | 90.2° |
| CAD | CAC | CAB | H3 | 177.6° | 180.0° |
| CAC | CAD | CAG | H4 | 67.3° | 149.7° |
| CAC | CAD | CAG | H5 | 173.6° | 29.8° |
| CAE | CAD | CAG | N3 | 126.3° | 89.9° |
| CAD | CAE | CAF | H1 | 178.5° | 180.0° |
| CAE | CAD | CAG | H4 | 113.3° | 30.1° |
| CAE | CAD | CAG | H5 | 5.9° | 150.0° |
| CLAI | CAE | CAD | CAG | 1.1° | 0.1° |
| CLAI | CAE | CAF | H1 | 1.9° | 0.4° |
| CAD | CAG | N3 | H4 | 120.4° | 120.0° |
| CAD | CAG | N3 | H5 | 120.4° | 120.0° |
| CAD | CAG | N3 | C2 | 118.3° | 90.0° |
| CAD | CAG | N3 | C4 | 59.1° | 89.9° |
| CAD | CAG | H4 | H5 | 118.7° | 119.9° |
| CAG | N3 | C2 | C4 | 177.5° | 180.0° |
| CAG | N3 | C2 | N1 | 178.1° | 180.0° |
| CAG | N3 | C4 | N9 | 1.9° | 0.3° |
| CAG | N3 | C4 | C5 | 177.0° | 180.0° |
| N3 | CAG | H4 | H5 | 118.7° | 120.0° |
| CAG | N3 | C2 | H6 | 1.9° | 0.0° |
| N3 | C2 | N1 | H6 | 180.0° | 180.0° |
| C2 | N3 | C4 | N9 | 179.3° | 179.8° |
| C2 | N3 | C4 | C5 | 0.4° | 0.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.0° |
| C2 | N3 | CAG | H4 | 2.1° | 150.0° |
| C2 | N3 | CAG | H5 | 121.3° | 30.0° |
| C4 | N3 | C2 | N1 | 0.6° | 0.0° |
| N3 | C4 | N9 | C5 | 179.0° | 179.8° |
| N3 | C4 | N9 | C8 | 179.1° | 179.9° |
| N3 | C4 | C5 | C6 | 2.1° | 0.0° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| C4 | N3 | CAG | H4 | 179.5° | 30.1° |
| C4 | N3 | CAG | H5 | 61.3° | 150.0° |
| C4 | N3 | C2 | H6 | 179.4° | 180.0° |
| C2 | N1 | C6 | C5 | 1.9° | 0.0° |
| C2 | N1 | C6 | N6 | 179.9° | 180.0° |
| C4 | N9 | C8 | CAT | 177.9° | 179.9° |
| C4 | N9 | C8 | N7 | 0.6° | 0.3° |
| N9 | C4 | C5 | C6 | 178.8° | 179.8° |
| N9 | C4 | C5 | N7 | 0.8° | 0.2° |
| C8 | N9 | C4 | C5 | 0.1° | 0.3° |
| N9 | C8 | CAT | CAU | 138.3° | 5.5° |
| N9 | C8 | CAT | N7 | 178.3° | 179.8° |
| N9 | C8 | CAT | CAY | 39.0° | 174.2° |
| N9 | C8 | N7 | C5 | 1.1° | 0.2° |
| C4 | C5 | N7 | C8 | 1.2° | 0.0° |
| C4 | C5 | C6 | N1 | 2.8° | 0.0° |
| C4 | C5 | C6 | N7 | 177.3° | 180.0° |
| C4 | C5 | C6 | N6 | 179.1° | 180.0° |
| CAV | CAU | CAT | H9 | 180.0° | 179.9° |
| CAU | CAV | CAW | H10 | 180.0° | 180.0° |
| CAV | CAU | CAT | C8 | 179.7° | 180.0° |
| CAV | CAU | CAT | CAY | 2.7° | 0.3° |
| CAU | CAV | CAW | CAX | 0.9° | 0.1° |
| CAU | CAV | CAW | H11 | 179.1° | 180.0° |
| CAT | CAU | CAV | CAW | 2.2° | 0.0° |
| CAU | CAT | C8 | CAY | 177.3° | 179.7° |
| CAU | CAT | C8 | N7 | 40.0° | 174.3° |
| CAU | CAT | CAY | CAX | 2.0° | 0.6° |
| CAU | CAT | CAY | CAZ | 178.7° | 179.7° |
| CAT | CAU | CAV | H10 | 177.8° | 180.0° |
| CAV | CAW | CAX | H11 | 180.0° | 179.9° |
| CAV | CAW | CAX | CAY | 0.3° | 0.2° |
| CAW | CAV | CAU | H9 | 177.8° | 179.9° |
| CAV | CAW | CAX | H12 | 179.8° | 180.0° |
| CAT | C8 | N7 | C5 | 177.5° | 180.0° |
| C8 | CAT | CAY | CAX | 179.4° | 179.7° |
| C8 | CAT | CAY | CAZ | 1.2° | 0.0° |
| C8 | CAT | CAU | H9 | 0.3° | 0.1° |
| N7 | C8 | CAT | CAY | 142.7° | 5.9° |
| C8 | N7 | C5 | C6 | 178.7° | 180.0° |
| CAT | CAY | CAX | CAW | 0.9° | 0.5° |
| CAT | CAY | CAX | CAZ | 179.4° | 179.7° |
| CAY | CAT | CAU | H9 | 177.3° | 179.8° |
| CAT | CAY | CAX | H12 | 179.1° | 179.7° |
| CAT | CAY | CAZ | H13 | 90.4° | 83.7° |
| CAT | CAY | CAZ | H14 | 149.6° | 156.3° |
| CAT | CAY | CAZ | H15 | 29.7° | 36.3° |
| N1 | C6 | C5 | N6 | 178.1° | 179.9° |
| N1 | C6 | C5 | N7 | 179.9° | 180.0° |
| C6 | N1 | C2 | H6 | 179.9° | 180.0° |
| N1 | C6 | N6 | H7 | 0.0° | 179.9° |
| N1 | C6 | N6 | H8 | 120.0° | 0.0° |
| CAW | CAX | CAY | H12 | 180.0° | 179.8° |
| CAW | CAX | CAY | CAZ | 179.7° | 179.7° |
| CAX | CAW | CAV | H10 | 179.1° | 180.0° |
| C5 | C6 | N6 | H7 | 178.1° | 0.0° |
| C5 | C6 | N6 | H8 | 61.8° | 180.0° |
| N7 | C5 | C6 | N6 | 1.8° | 0.0° |
| CAY | CAX | CAW | H11 | 179.7° | 179.7° |
| CAX | CAY | CAZ | H13 | 90.3° | 96.1° |
| CAX | CAY | CAZ | H14 | 29.8° | 24.0° |
| CAX | CAY | CAZ | H15 | 149.7° | 144.0° |
| CAZ | CAY | CAX | H12 | 0.2° | 0.1° |
| CAY | CAZ | H13 | H14 | 120.0° | 120.0° |
| CAY | CAZ | H13 | H15 | 120.0° | 120.0° |
| CAY | CAZ | H14 | H15 | 119.9° | 120.0° |
| C6 | N6 | H7 | H8 | 120.0° | 180.0° |
| H1 | CAF | CAA | H2 | 3.3° | 0.1° |
| H2 | CAA | CAB | H3 | 3.7° | 0.1° |
| H9 | CAU | CAV | H10 | 2.3° | 0.1° |
| H10 | CAV | CAW | H11 | 0.9° | 0.0° |
| H11 | CAW | CAX | H12 | 0.3° | 0.1° |
| H13 | CAZ | H14 | H15 | 120.0° | 120.0° |
