WE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.37Å | Aromatic |
| C8 | C7 | doub | 1.38Å | 1.36Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | N | sing | 1.40Å | 1.40Å | |
| O2 | C4 | doub | 1.21Å | 1.21Å | |
| N | C4 | sing | 1.34Å | 1.40Å | |
| N | C5 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C5 | C2 | sing | 1.54Å | 1.56Å | |
| C3 | C2 | sing | 1.55Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.49Å | |
| O1 | C1 | doub | 1.21Å | 1.20Å | |
| C1 | O | sing | 1.34Å | 1.34Å | |
| O | C | sing | 1.45Å | 1.41Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 118.8° | 120.1° |
| C9 | C10 | C11 | 120.8° | 120.1° |
| C10 | C9 | H3 | 120.6° | 120.0° |
| C9 | C10 | H13 | 119.6° | 120.0° |
| C9 | C8 | C7 | 120.9° | 120.1° |
| C9 | C8 | H2 | 119.6° | 120.0° |
| C8 | C9 | H3 | 120.6° | 119.9° |
| C10 | C11 | C6 | 119.6° | 119.9° |
| C10 | C11 | H12 | 120.2° | 120.1° |
| C11 | C10 | H13 | 119.6° | 119.9° |
| C8 | C7 | C6 | 119.4° | 119.9° |
| C8 | C7 | H1 | 120.3° | 120.0° |
| C7 | C8 | H2 | 119.6° | 119.9° |
| C11 | C6 | C7 | 120.6° | 119.9° |
| C11 | C6 | N | 118.5° | 120.1° |
| C6 | C11 | H12 | 120.2° | 120.0° |
| C7 | C6 | N | 121.0° | 120.1° |
| C6 | C7 | H1 | 120.3° | 120.0° |
| C6 | N | C4 | 127.9° | 124.4° |
| C6 | N | C5 | 120.7° | 124.3° |
| O2 | C4 | N | 126.4° | 124.9° |
| O2 | C4 | C3 | 124.9° | 124.9° |
| C4 | N | C5 | 111.4° | 111.3° |
| N | C4 | C3 | 108.7° | 110.1° |
| N | C5 | C2 | 102.2° | 105.5° |
| N | C5 | H4 | 111.3° | 110.3° |
| N | C5 | H5 | 111.3° | 110.3° |
| C4 | C3 | C2 | 103.0° | 104.2° |
| C4 | C3 | H6 | 111.1° | 110.5° |
| C4 | C3 | H7 | 111.1° | 110.5° |
| C5 | C2 | C3 | 103.4° | 101.8° |
| C5 | C2 | C1 | 111.3° | 111.0° |
| C2 | C5 | H4 | 111.3° | 110.2° |
| C2 | C5 | H5 | 111.3° | 110.2° |
| C5 | C2 | H8 | 109.9° | 111.0° |
| C3 | C2 | C1 | 110.6° | 110.9° |
| C2 | C3 | H6 | 111.1° | 110.4° |
| C2 | C3 | H7 | 111.1° | 110.5° |
| C3 | C2 | H8 | 110.6° | 110.9° |
| C2 | C1 | O1 | 126.9° | 120.0° |
| C2 | C1 | O | 114.0° | 120.0° |
| C1 | C2 | H8 | 110.8° | 110.9° |
| O1 | C1 | O | 119.1° | 120.0° |
| C1 | O | C | 119.6° | 117.0° |
| O | C | H9 | 109.5° | 109.5° |
| O | C | H10 | 109.5° | 109.5° |
| O | C | H11 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 110.3° |
| H6 | C3 | H7 | 109.5° | 110.6° |
| H9 | C | H10 | 109.4° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H3 | 180.0° | 180.0° |
| C9 | C10 | C11 | H13 | 180.0° | 179.8° |
| C10 | C9 | C8 | C7 | 0.6° | 0.0° |
| C9 | C10 | C11 | C6 | 0.2° | 0.5° |
| C10 | C9 | C8 | H2 | 179.4° | 180.0° |
| C9 | C10 | C11 | H12 | 179.8° | 180.0° |
| C8 | C9 | C10 | C11 | 0.5° | 0.2° |
| C9 | C8 | C7 | H2 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.0° | 0.0° |
| C9 | C8 | C7 | H1 | 180.0° | 179.8° |
| C8 | C9 | C10 | H13 | 179.5° | 180.0° |
| C10 | C11 | C6 | H12 | 180.0° | 179.5° |
| C10 | C11 | C6 | C7 | 0.8° | 0.5° |
| C10 | C11 | C6 | N | 178.8° | 179.6° |
| C11 | C10 | C9 | H3 | 179.5° | 179.7° |
| C8 | C7 | C6 | C11 | 0.7° | 0.2° |
| C8 | C7 | C6 | H1 | 180.0° | 179.8° |
| C8 | C7 | C6 | N | 178.8° | 179.8° |
| C7 | C8 | C9 | H3 | 179.4° | 180.0° |
| C11 | C6 | C7 | N | 179.6° | 180.0° |
| C11 | C6 | N | C4 | 155.0° | 174.3° |
| C11 | C6 | N | C5 | 25.9° | 5.7° |
| C11 | C6 | C7 | H1 | 179.3° | 180.0° |
| C6 | C11 | C10 | H13 | 179.8° | 179.8° |
| C7 | C6 | N | C4 | 24.6° | 5.7° |
| C7 | C6 | N | C5 | 154.6° | 174.3° |
| C6 | C7 | C8 | H2 | 180.0° | 180.0° |
| C7 | C6 | C11 | H12 | 179.2° | 180.0° |
| C6 | N | C4 | O2 | 2.9° | 0.3° |
| C6 | N | C4 | C5 | 179.2° | 180.0° |
| C6 | N | C4 | C3 | 177.9° | 179.6° |
| C6 | N | C5 | C2 | 158.2° | 163.0° |
| N | C6 | C7 | H1 | 1.1° | 0.0° |
| C6 | N | C5 | H4 | 83.0° | 44.0° |
| C6 | N | C5 | H5 | 39.4° | 78.0° |
| N | C6 | C11 | H12 | 1.2° | 0.0° |
| O2 | C4 | N | C3 | 179.2° | 179.9° |
| O2 | C4 | N | C5 | 177.8° | 179.7° |
| O2 | C4 | C3 | C2 | 161.1° | 163.6° |
| O2 | C4 | C3 | H6 | 42.2° | 45.0° |
| O2 | C4 | C3 | H7 | 80.0° | 77.7° |
| C4 | N | C5 | C2 | 21.1° | 17.0° |
| N | C4 | C3 | C2 | 19.7° | 16.3° |
| C4 | N | C5 | H4 | 97.7° | 136.0° |
| C4 | N | C5 | H5 | 139.9° | 102.0° |
| N | C4 | C3 | H6 | 138.6° | 134.9° |
| N | C4 | C3 | H7 | 99.3° | 102.4° |
| C5 | N | C4 | C3 | 1.4° | 0.4° |
| N | C5 | C2 | H4 | 118.8° | 119.0° |
| N | C5 | C2 | H5 | 118.8° | 119.1° |
| N | C5 | C2 | C3 | 32.3° | 25.4° |
| N | C5 | C2 | C1 | 151.0° | 143.5° |
| N | C5 | H4 | H5 | 123.4° | 122.1° |
| N | C5 | C2 | H8 | 85.8° | 92.7° |
| C4 | C3 | C2 | C5 | 31.5° | 24.8° |
| C4 | C3 | C2 | H6 | 118.9° | 118.7° |
| C4 | C3 | C2 | H7 | 118.9° | 118.7° |
| C4 | C3 | C2 | C1 | 150.8° | 142.9° |
| C4 | C3 | H6 | H7 | 123.0° | 122.6° |
| C4 | C3 | C2 | H8 | 86.2° | 93.4° |
| C5 | C2 | C3 | C1 | 119.3° | 118.1° |
| C5 | C2 | C3 | H8 | 117.6° | 118.2° |
| C5 | C2 | C1 | H8 | 122.7° | 123.9° |
| C5 | C2 | C1 | O1 | 1.7° | 0.0° |
| C5 | C2 | C1 | O | 177.5° | 180.0° |
| C2 | C5 | H4 | H5 | 123.4° | 121.9° |
| C5 | C2 | C3 | H6 | 150.4° | 143.5° |
| C5 | C2 | C3 | H7 | 87.4° | 93.9° |
| C3 | C2 | C1 | H8 | 122.9° | 123.7° |
| C3 | C2 | C1 | O1 | 112.7° | 112.3° |
| C3 | C2 | C1 | O | 68.1° | 67.6° |
| C3 | C2 | C5 | H4 | 86.5° | 144.4° |
| C3 | C2 | C5 | H5 | 151.1° | 93.6° |
| C2 | C3 | H6 | H7 | 123.0° | 122.6° |
| C2 | C1 | O1 | O | 179.2° | 179.9° |
| C2 | C1 | O | C | 1.1° | 180.0° |
| C1 | C2 | C5 | H4 | 32.2° | 97.5° |
| C1 | C2 | C5 | H5 | 90.1° | 24.5° |
| C1 | C2 | C3 | H6 | 90.3° | 98.4° |
| C1 | C2 | C3 | H7 | 31.9° | 24.3° |
| O1 | C1 | O | C | 178.1° | 0.1° |
| O1 | C1 | C2 | H8 | 124.4° | 123.9° |
| O | C1 | C2 | H8 | 54.8° | 56.1° |
| C1 | O | C | H9 | 180.0° | 60.0° |
| C1 | O | C | H10 | 60.0° | 60.0° |
| C1 | O | C | H11 | 60.0° | 180.0° |
| O | C | H9 | H10 | 120.0° | 120.0° |
| O | C | H9 | H11 | 120.0° | 120.0° |
| O | C | H10 | H11 | 120.0° | 120.0° |
| H1 | C7 | C8 | H2 | 0.0° | 0.3° |
| H2 | C8 | C9 | H3 | 0.6° | 0.0° |
| H3 | C9 | C10 | H13 | 0.5° | 0.0° |
| H4 | C5 | C2 | H8 | 155.4° | 26.3° |
| H5 | C5 | C2 | H8 | 33.0° | 148.2° |
| H6 | C3 | C2 | H8 | 32.8° | 25.3° |
| H7 | C3 | C2 | H8 | 154.9° | 147.9° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
| H12 | C11 | C10 | H13 | 0.2° | 0.2° |
