WEG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C14 | sing | 1.48Å | 1.47Å | |
| C14 | N12 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.39Å | Aromatic |
| N12 | C32 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C17 | sing | 1.46Å | 1.42Å | Aromatic |
| C32 | N31 | doub | 1.33Å | 1.34Å | Aromatic |
| C32 | C17 | sing | 1.41Å | 1.38Å | Aromatic |
| N31 | C29 | sing | 1.31Å | 1.36Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.49Å | 1.45Å | |
| C27 | C25 | sing | 1.41Å | 1.38Å | Aromatic |
| C27 | C20 | doub | 1.36Å | 1.42Å | Aromatic |
| C25 | N23 | doub | 1.31Å | 1.36Å | Aromatic |
| C20 | N22 | sing | 1.35Å | 1.33Å | Aromatic |
| N23 | N22 | sing | 1.40Å | 1.34Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.08Å | 1.08Å | |
| N12 | H3 | sing | 0.97Å | 1.00Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.08Å | 1.08Å | |
| C18 | H7 | sing | 1.08Å | 1.08Å | |
| C25 | H8 | sing | 1.08Å | 1.08Å | |
| C29 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N22 | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C5 | C3 | 119.8° | 120.3° |
| C5 | C7 | C9 | 120.1° | 120.1° |
| C7 | C5 | H1 | 120.1° | 119.8° |
| C5 | C7 | H2 | 119.9° | 120.0° |
| C5 | C3 | C1 | 120.1° | 120.1° |
| C3 | C5 | H1 | 120.1° | 119.9° |
| C5 | C3 | H10 | 119.9° | 119.9° |
| C7 | C9 | C11 | 121.0° | 119.9° |
| C9 | C7 | H2 | 119.9° | 119.9° |
| C7 | C9 | H11 | 119.5° | 120.0° |
| C3 | C1 | C11 | 121.0° | 119.9° |
| C3 | C1 | H6 | 119.5° | 120.0° |
| C1 | C3 | H10 | 120.0° | 120.0° |
| C9 | C11 | C1 | 118.0° | 119.7° |
| C9 | C11 | C14 | 121.5° | 120.1° |
| C11 | C9 | H11 | 119.5° | 120.1° |
| C1 | C11 | C14 | 120.5° | 120.1° |
| C11 | C1 | H6 | 119.5° | 120.1° |
| C11 | C14 | N12 | 123.6° | 125.2° |
| C11 | C14 | C15 | 130.3° | 125.2° |
| N12 | C14 | C15 | 106.0° | 109.5° |
| C14 | N12 | C32 | 110.6° | 110.0° |
| C14 | N12 | H3 | 124.7° | 125.0° |
| C14 | C15 | C17 | 108.7° | 106.9° |
| C14 | C15 | H4 | 125.6° | 126.6° |
| N12 | C32 | N31 | 124.9° | 132.8° |
| N12 | C32 | C17 | 108.0° | 107.2° |
| C32 | N12 | H3 | 124.7° | 125.0° |
| C15 | C17 | C32 | 106.6° | 106.4° |
| C15 | C17 | C18 | 135.9° | 134.0° |
| C17 | C15 | H4 | 125.6° | 126.6° |
| N31 | C32 | C17 | 127.1° | 120.0° |
| C32 | N31 | C29 | 113.1° | 121.8° |
| C32 | C17 | C18 | 117.4° | 119.5° |
| N31 | C29 | C28 | 126.5° | 121.5° |
| N31 | C29 | H9 | 116.7° | 119.2° |
| C17 | C18 | C28 | 118.8° | 118.0° |
| C17 | C18 | H7 | 120.6° | 121.0° |
| C29 | C28 | C18 | 117.1° | 119.1° |
| C29 | C28 | C27 | 122.8° | 120.5° |
| C28 | C29 | H9 | 116.8° | 119.3° |
| C18 | C28 | C27 | 120.1° | 120.4° |
| C28 | C18 | H7 | 120.6° | 121.0° |
| C28 | C27 | C25 | 125.1° | 126.2° |
| C28 | C27 | C20 | 131.3° | 126.2° |
| C25 | C27 | C20 | 103.6° | 107.6° |
| C27 | C25 | N23 | 106.3° | 108.1° |
| C27 | C25 | H8 | 126.9° | 125.9° |
| C27 | C20 | N22 | 113.2° | 107.6° |
| C27 | C20 | H5 | 123.4° | 126.2° |
| C25 | N23 | N22 | 113.9° | 108.5° |
| N23 | C25 | H8 | 126.9° | 125.9° |
| C20 | N22 | N23 | 103.0° | 108.2° |
| N22 | C20 | H5 | 123.4° | 126.1° |
| C20 | N22 | H12 | 128.5° | 126.0° |
| N23 | N22 | H12 | 128.5° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C5 | C3 | H1 | 180.0° | 179.7° |
| C5 | C7 | C9 | H2 | 180.0° | 180.0° |
| C7 | C5 | C3 | C1 | 0.0° | 0.0° |
| C5 | C7 | C9 | C11 | 0.2° | 0.0° |
| C7 | C5 | C3 | H10 | 180.0° | 179.9° |
| C5 | C7 | C9 | H11 | 179.8° | 180.0° |
| C3 | C5 | C7 | C9 | 0.1° | 0.0° |
| C5 | C3 | C1 | H10 | 180.0° | 179.9° |
| C5 | C3 | C1 | C11 | 0.1° | 0.0° |
| C3 | C5 | C7 | H2 | 179.9° | 180.0° |
| C5 | C3 | C1 | H6 | 179.9° | 180.0° |
| C7 | C9 | C11 | H11 | 180.0° | 180.0° |
| C7 | C9 | C11 | C1 | 0.2° | 0.0° |
| C7 | C9 | C11 | C14 | 179.9° | 180.0° |
| C9 | C7 | C5 | H1 | 179.9° | 179.7° |
| C3 | C1 | C11 | C9 | 0.2° | 0.0° |
| C3 | C1 | C11 | H6 | 180.0° | 180.0° |
| C3 | C1 | C11 | C14 | 179.8° | 180.0° |
| C1 | C3 | C5 | H1 | 180.0° | 179.7° |
| C9 | C11 | C1 | C14 | 179.7° | 180.0° |
| C9 | C11 | C14 | N12 | 6.0° | 180.0° |
| C9 | C11 | C14 | C15 | 173.7° | 0.0° |
| C11 | C9 | C7 | H2 | 179.8° | 180.0° |
| C9 | C11 | C1 | H6 | 179.8° | 180.0° |
| C1 | C11 | C14 | N12 | 174.4° | 0.0° |
| C1 | C11 | C14 | C15 | 6.0° | 180.0° |
| C11 | C1 | C3 | H10 | 179.9° | 179.9° |
| C1 | C11 | C9 | H11 | 179.8° | 180.0° |
| C11 | C14 | N12 | C15 | 179.7° | 180.0° |
| C11 | C14 | N12 | C32 | 179.9° | 180.0° |
| C11 | C14 | C15 | C17 | 179.8° | 179.7° |
| C11 | C14 | N12 | H3 | 0.2° | 0.3° |
| C11 | C14 | C15 | H4 | 0.2° | 0.2° |
| C14 | C11 | C1 | H6 | 0.2° | 0.0° |
| C14 | C11 | C9 | H11 | 0.1° | 0.0° |
| C14 | N12 | C32 | H3 | 180.0° | 179.7° |
| N12 | C14 | C15 | C17 | 0.1° | 0.3° |
| C14 | N12 | C32 | N31 | 180.0° | 179.7° |
| C14 | N12 | C32 | C17 | 0.2° | 0.2° |
| N12 | C14 | C15 | H4 | 179.9° | 179.8° |
| C15 | C14 | N12 | C32 | 0.1° | 0.0° |
| C14 | C15 | C17 | H4 | 180.0° | 179.6° |
| C14 | C15 | C17 | C32 | 0.0° | 0.4° |
| C14 | C15 | C17 | C18 | 179.9° | 179.6° |
| C15 | C14 | N12 | H3 | 179.9° | 179.7° |
| N12 | C32 | C17 | C15 | 0.1° | 0.4° |
| N12 | C32 | N31 | C17 | 179.8° | 179.9° |
| N12 | C32 | N31 | C29 | 180.0° | 180.0° |
| N12 | C32 | C17 | C18 | 180.0° | 179.7° |
| C15 | C17 | C32 | N31 | 179.9° | 179.6° |
| C15 | C17 | C32 | C18 | 179.9° | 180.0° |
| C15 | C17 | C18 | C28 | 179.9° | 179.9° |
| C15 | C17 | C18 | H7 | 0.2° | 0.1° |
| N31 | C32 | C17 | C18 | 0.2° | 0.4° |
| C32 | N31 | C29 | C28 | 0.1° | 0.7° |
| N31 | C32 | N12 | H3 | 0.0° | 0.0° |
| C32 | N31 | C29 | H9 | 180.0° | 179.6° |
| C17 | C32 | N31 | C29 | 0.2° | 0.0° |
| C32 | C17 | C18 | C28 | 0.1° | 0.0° |
| C17 | C32 | N12 | H3 | 179.9° | 179.9° |
| C32 | C17 | C15 | H4 | 180.0° | 180.0° |
| C32 | C17 | C18 | H7 | 179.9° | 180.0° |
| N31 | C29 | C28 | H9 | 180.0° | 178.9° |
| N31 | C29 | C28 | C18 | 0.1° | 1.1° |
| N31 | C29 | C28 | C27 | 179.7° | 179.6° |
| C17 | C18 | C28 | C29 | 0.2° | 0.7° |
| C17 | C18 | C28 | H7 | 180.0° | 180.0° |
| C17 | C18 | C28 | C27 | 179.7° | 180.0° |
| C18 | C17 | C15 | H4 | 0.0° | 0.1° |
| C29 | C28 | C18 | C27 | 179.6° | 179.3° |
| C29 | C28 | C27 | C25 | 5.4° | 179.3° |
| C29 | C28 | C27 | C20 | 174.2° | 0.7° |
| C29 | C28 | C18 | H7 | 179.8° | 179.3° |
| C18 | C28 | C27 | C25 | 175.1° | 0.1° |
| C18 | C28 | C27 | C20 | 5.4° | 180.0° |
| C18 | C28 | C29 | H9 | 179.9° | 180.0° |
| C28 | C27 | C25 | C20 | 179.6° | 179.9° |
| C28 | C27 | C25 | N23 | 179.7° | 179.8° |
| C28 | C27 | C20 | N22 | 179.7° | 179.9° |
| C28 | C27 | C20 | H5 | 0.3° | 0.2° |
| C27 | C28 | C18 | H7 | 0.2° | 0.0° |
| C28 | C27 | C25 | H8 | 0.3° | 0.3° |
| C27 | C28 | C29 | H9 | 0.3° | 0.7° |
| C27 | C25 | N23 | H8 | 180.0° | 179.5° |
| C25 | C27 | C20 | N22 | 0.1° | 0.0° |
| C27 | C25 | N23 | N22 | 0.1° | 0.4° |
| C25 | C27 | C20 | H5 | 179.9° | 179.7° |
| C20 | C27 | C25 | N23 | 0.1° | 0.3° |
| C27 | C20 | N22 | H5 | 180.0° | 179.7° |
| C27 | C20 | N22 | N23 | 0.1° | 0.3° |
| C20 | C27 | C25 | H8 | 179.9° | 179.8° |
| C27 | C20 | N22 | H12 | 179.9° | 179.7° |
| C25 | N23 | N22 | C20 | 0.0° | 0.4° |
| C25 | N23 | N22 | H12 | 180.0° | 179.5° |
| C20 | N22 | N23 | H12 | 180.0° | 180.0° |
| N23 | N22 | C20 | H5 | 180.0° | 180.0° |
| N22 | N23 | C25 | H8 | 179.9° | 180.0° |
| H1 | C5 | C7 | H2 | 0.1° | 0.3° |
| H1 | C5 | C3 | H10 | 0.0° | 0.3° |
| H2 | C7 | C9 | H11 | 0.2° | 0.0° |
| H5 | C20 | N22 | H12 | 0.1° | 0.0° |
| H6 | C1 | C3 | H10 | 0.1° | 0.1° |
