CZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | N2 | sing | 1.22Å | 1.22Å | |
| N28 | C29 | sing | 1.36Å | 1.36Å | Aromatic |
| N28 | C9 | doub | 1.31Å | 1.31Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.40Å | Aromatic |
| C30 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| O13 | C12 | doub | 1.21Å | 1.22Å | |
| N2 | C4 | sing | 1.48Å | 1.49Å | |
| N2 | O3 | doub | 1.22Å | 1.23Å | |
| S10 | C9 | sing | 1.76Å | 1.77Å | |
| S10 | C11 | sing | 1.81Å | 1.83Å | |
| C29 | C7 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | N8 | sing | 1.37Å | 1.37Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.51Å | 1.50Å | |
| C12 | N14 | sing | 1.35Å | 1.37Å | |
| C25 | C20 | sing | 1.39Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | N8 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | O19 | sing | 1.36Å | 1.36Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | N14 | sing | 1.40Å | 1.41Å | |
| C15 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.37Å | |
| C18 | C26 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C26 | H7 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| N14 | H11 | sing | 0.97Å | 1.00Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C25 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| C30 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | N2 | C4 | 120.1° | 120.0° |
| O1 | N2 | O3 | 118.4° | 120.0° |
| C29 | N28 | C9 | 110.2° | 109.6° |
| N28 | C29 | C30 | 133.4° | 133.4° |
| N28 | C29 | C7 | 106.9° | 107.1° |
| N28 | C9 | S10 | 123.2° | 125.1° |
| N28 | C9 | N8 | 109.4° | 109.8° |
| C29 | C30 | C4 | 120.5° | 119.8° |
| C30 | C29 | C7 | 119.7° | 119.5° |
| C29 | C30 | H17 | 119.8° | 120.1° |
| C30 | C4 | N2 | 120.5° | 119.8° |
| C30 | C4 | C5 | 119.3° | 120.5° |
| C4 | C30 | H17 | 119.8° | 120.1° |
| O13 | C12 | C11 | 116.4° | 120.0° |
| O13 | C12 | N14 | 125.0° | 120.0° |
| C4 | N2 | O3 | 121.5° | 120.0° |
| N2 | C4 | C5 | 120.2° | 119.7° |
| C9 | S10 | C11 | 110.3° | 100.0° |
| S10 | C9 | N8 | 127.4° | 125.1° |
| S10 | C11 | C12 | 112.6° | 109.5° |
| S10 | C11 | H9 | 108.7° | 109.4° |
| S10 | C11 | H10 | 108.7° | 109.5° |
| C29 | C7 | N8 | 106.0° | 106.2° |
| C29 | C7 | C6 | 119.5° | 120.0° |
| C9 | N8 | C7 | 107.5° | 107.2° |
| C9 | N8 | H8 | 126.2° | 126.4° |
| C4 | C5 | C6 | 120.9° | 120.4° |
| C4 | C5 | H1 | 119.6° | 119.8° |
| C25 | C24 | C23 | 120.0° | 120.0° |
| C24 | C25 | C20 | 119.9° | 120.0° |
| C25 | C24 | H6 | 120.0° | 120.0° |
| C24 | C25 | H14 | 120.0° | 120.0° |
| C24 | C23 | C22 | 120.2° | 120.2° |
| C23 | C24 | H6 | 120.0° | 120.0° |
| C24 | C23 | H13 | 119.9° | 119.9° |
| C11 | C12 | N14 | 118.6° | 120.0° |
| C12 | C11 | H9 | 108.7° | 109.5° |
| C12 | C11 | H10 | 108.7° | 109.5° |
| C12 | N14 | C15 | 125.5° | 120.0° |
| C12 | N14 | H11 | 117.2° | 120.0° |
| C25 | C20 | O19 | 119.1° | 120.1° |
| C25 | C20 | C21 | 120.0° | 119.8° |
| C20 | C25 | H14 | 120.0° | 120.0° |
| C17 | C16 | C15 | 121.1° | 120.0° |
| C16 | C17 | C18 | 120.1° | 120.0° |
| C16 | C17 | H3 | 119.9° | 120.0° |
| C17 | C16 | H12 | 119.5° | 120.0° |
| C16 | C15 | N14 | 126.1° | 120.0° |
| C16 | C15 | C27 | 118.3° | 120.0° |
| C15 | C16 | H12 | 119.4° | 120.0° |
| C17 | C18 | O19 | 124.0° | 120.0° |
| C17 | C18 | C26 | 118.6° | 120.0° |
| C18 | C17 | H3 | 119.9° | 120.0° |
| N8 | C7 | C6 | 134.4° | 133.9° |
| C7 | N8 | H8 | 126.3° | 126.4° |
| C7 | C6 | C5 | 120.1° | 119.9° |
| C7 | C6 | H2 | 119.9° | 120.1° |
| C23 | C22 | C21 | 120.0° | 120.0° |
| C23 | C22 | H5 | 120.0° | 120.0° |
| C22 | C23 | H13 | 119.9° | 119.9° |
| C6 | C5 | H1 | 119.5° | 119.8° |
| C5 | C6 | H2 | 120.0° | 120.0° |
| O19 | C20 | C21 | 120.8° | 120.1° |
| C20 | O19 | C18 | 128.0° | 118.0° |
| C20 | C21 | C22 | 119.8° | 120.0° |
| C20 | C21 | H4 | 120.1° | 120.0° |
| N14 | C15 | C27 | 115.5° | 120.0° |
| C15 | N14 | H11 | 117.2° | 120.0° |
| C15 | C27 | C26 | 120.7° | 119.9° |
| C15 | C27 | H15 | 119.6° | 120.0° |
| O19 | C18 | C26 | 117.3° | 120.0° |
| C18 | C26 | C27 | 121.2° | 120.0° |
| C18 | C26 | H7 | 119.4° | 120.0° |
| C22 | C21 | H4 | 120.1° | 120.0° |
| C21 | C22 | H5 | 120.0° | 120.0° |
| C27 | C26 | H7 | 119.4° | 120.0° |
| C26 | C27 | H15 | 119.7° | 120.1° |
| H9 | C11 | H10 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | N2 | C4 | C30 | 5.3° | 179.8° |
| O1 | N2 | C4 | O3 | 180.0° | 180.0° |
| O1 | N2 | C4 | C5 | 174.9° | 0.0° |
| N28 | C29 | C30 | C7 | 180.0° | 179.6° |
| N28 | C29 | C30 | C4 | 179.8° | 179.9° |
| C29 | N28 | C9 | S10 | 179.5° | 180.0° |
| C29 | N28 | C9 | N8 | 0.5° | 0.0° |
| N28 | C29 | C7 | N8 | 0.0° | 0.0° |
| N28 | C29 | C7 | C6 | 179.9° | 179.9° |
| N28 | C29 | C30 | H17 | 0.2° | 0.1° |
| C9 | N28 | C29 | C30 | 179.7° | 179.7° |
| N28 | C9 | S10 | N8 | 180.0° | 180.0° |
| N28 | C9 | S10 | C11 | 164.1° | 0.0° |
| C9 | N28 | C29 | C7 | 0.3° | 0.0° |
| N28 | C9 | N8 | C7 | 0.5° | 0.0° |
| N28 | C9 | N8 | H8 | 179.5° | 180.0° |
| C29 | C30 | C4 | H17 | 180.0° | 179.8° |
| C29 | C30 | C4 | N2 | 179.9° | 179.7° |
| C29 | C30 | C4 | C5 | 0.4° | 0.5° |
| C30 | C29 | C7 | N8 | 180.0° | 179.7° |
| C30 | C29 | C7 | C6 | 0.1° | 0.2° |
| C30 | C4 | N2 | C5 | 179.7° | 179.8° |
| C30 | C4 | N2 | O3 | 174.7° | 0.2° |
| C4 | C30 | C29 | C7 | 0.2° | 0.5° |
| C30 | C4 | C5 | C6 | 0.3° | 0.2° |
| C30 | C4 | C5 | H1 | 179.7° | 179.7° |
| O13 | C12 | C11 | S10 | 60.9° | 0.0° |
| O13 | C12 | C11 | N14 | 177.7° | 180.0° |
| O13 | C12 | N14 | C15 | 5.9° | 5.9° |
| O13 | C12 | C11 | H9 | 59.5° | 120.0° |
| O13 | C12 | C11 | H10 | 178.6° | 120.0° |
| O13 | C12 | N14 | H11 | 174.1° | 174.2° |
| N2 | C4 | C5 | C6 | 180.0° | 180.0° |
| N2 | C4 | C5 | H1 | 0.0° | 0.0° |
| N2 | C4 | C30 | H17 | 0.1° | 0.0° |
| O3 | N2 | C4 | C5 | 5.0° | 180.0° |
| C9 | S10 | C11 | C12 | 70.7° | 180.0° |
| S10 | C9 | N8 | C7 | 179.5° | 180.0° |
| S10 | C9 | N8 | H8 | 0.5° | 0.0° |
| C9 | S10 | C11 | H9 | 168.8° | 60.0° |
| C9 | S10 | C11 | H10 | 49.7° | 60.0° |
| C11 | S10 | C9 | N8 | 15.9° | 180.0° |
| S10 | C11 | C12 | H9 | 120.5° | 120.0° |
| S10 | C11 | C12 | H10 | 120.5° | 120.0° |
| S10 | C11 | C12 | N14 | 121.3° | 180.0° |
| S10 | C11 | H9 | H10 | 118.6° | 120.0° |
| C29 | C7 | N8 | C9 | 0.3° | 0.0° |
| C29 | C7 | N8 | C6 | 179.8° | 179.9° |
| C29 | C7 | C6 | C5 | 0.2° | 0.1° |
| C29 | C7 | C6 | H2 | 179.8° | 180.0° |
| C29 | C7 | N8 | H8 | 179.7° | 180.0° |
| C7 | C29 | C30 | H17 | 179.8° | 179.7° |
| C9 | N8 | C7 | H8 | 180.0° | 180.0° |
| C9 | N8 | C7 | C6 | 179.9° | 180.0° |
| C4 | C5 | C6 | C7 | 0.0° | 0.1° |
| C4 | C5 | C6 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | H2 | 180.0° | 180.0° |
| C5 | C4 | C30 | H17 | 179.6° | 179.8° |
| C25 | C24 | C23 | H6 | 180.0° | 179.5° |
| C24 | C25 | C20 | H14 | 180.0° | 179.5° |
| C25 | C24 | C23 | C22 | 0.0° | 0.3° |
| C24 | C25 | C20 | O19 | 178.5° | 179.8° |
| C24 | C25 | C20 | C21 | 1.8° | 0.5° |
| C25 | C24 | C23 | H13 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 1.3° | 0.5° |
| C24 | C23 | C22 | H13 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 0.6° | 0.0° |
| C24 | C23 | C22 | H5 | 179.3° | 180.0° |
| C23 | C24 | C25 | H14 | 178.8° | 180.0° |
| C11 | C12 | N14 | C15 | 176.6° | 174.1° |
| C12 | C11 | H9 | H10 | 118.6° | 120.0° |
| C11 | C12 | N14 | H11 | 3.4° | 5.8° |
| C12 | N14 | C15 | C16 | 29.7° | 153.7° |
| C12 | N14 | C15 | H11 | 180.0° | 180.0° |
| C12 | N14 | C15 | C27 | 147.0° | 26.1° |
| N14 | C12 | C11 | H9 | 118.2° | 60.0° |
| N14 | C12 | C11 | H10 | 0.9° | 60.0° |
| C25 | C20 | O19 | C21 | 176.6° | 179.8° |
| C25 | C20 | O19 | C18 | 125.8° | 75.5° |
| C25 | C20 | C21 | C22 | 1.2° | 0.2° |
| C25 | C20 | C21 | H4 | 178.8° | 179.8° |
| C20 | C25 | C24 | H6 | 178.8° | 180.0° |
| C17 | C16 | C15 | H12 | 180.0° | 180.0° |
| C16 | C17 | C18 | H3 | 180.0° | 179.7° |
| C17 | C16 | C15 | N14 | 177.8° | 180.0° |
| C17 | C16 | C15 | C27 | 1.2° | 0.2° |
| C16 | C17 | C18 | O19 | 178.1° | 179.7° |
| C16 | C17 | C18 | C26 | 0.5° | 0.3° |
| C15 | C16 | C17 | C18 | 0.3° | 0.0° |
| C16 | C15 | N14 | C27 | 176.7° | 179.8° |
| C16 | C15 | C27 | C26 | 1.3° | 0.2° |
| C15 | C16 | C17 | H3 | 179.7° | 179.7° |
| C16 | C15 | N14 | H11 | 150.3° | 26.3° |
| C16 | C15 | C27 | H15 | 178.7° | 179.7° |
| C17 | C18 | O19 | C20 | 33.4° | 4.9° |
| C17 | C18 | O19 | C26 | 177.6° | 180.0° |
| C17 | C18 | C26 | C27 | 0.4° | 0.3° |
| C17 | C18 | C26 | H7 | 179.6° | 179.9° |
| C18 | C17 | C16 | H12 | 179.7° | 180.0° |
| N8 | C7 | C6 | C5 | 179.9° | 180.0° |
| N8 | C7 | C6 | H2 | 0.1° | 0.1° |
| C7 | C6 | C5 | H2 | 180.0° | 179.9° |
| C7 | C6 | C5 | H1 | 180.0° | 180.0° |
| C6 | C7 | N8 | H8 | 0.1° | 0.1° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C23 | C22 | C21 | H5 | 180.0° | 179.9° |
| C23 | C22 | C21 | H4 | 179.9° | 180.0° |
| C22 | C23 | C24 | H6 | 180.0° | 179.7° |
| C20 | O19 | C18 | C26 | 149.0° | 175.1° |
| O19 | C20 | C21 | C22 | 177.8° | 180.0° |
| O19 | C20 | C21 | H4 | 2.2° | 0.0° |
| O19 | C20 | C25 | H14 | 1.5° | 0.2° |
| C21 | C20 | O19 | C18 | 57.6° | 104.7° |
| C20 | C21 | C22 | H4 | 180.0° | 180.0° |
| C20 | C21 | C22 | H5 | 179.9° | 179.9° |
| C21 | C20 | C25 | H14 | 178.2° | 180.0° |
| N14 | C15 | C27 | C26 | 178.3° | 180.0° |
| N14 | C15 | C16 | H12 | 2.2° | 0.0° |
| N14 | C15 | C27 | H15 | 1.7° | 0.1° |
| C15 | C27 | C26 | C18 | 0.5° | 0.1° |
| C15 | C27 | C26 | H15 | 180.0° | 179.9° |
| C15 | C27 | C26 | H7 | 179.5° | 179.7° |
| C27 | C15 | N14 | H11 | 33.0° | 153.9° |
| C27 | C15 | C16 | H12 | 178.8° | 179.8° |
| O19 | C18 | C26 | C27 | 178.2° | 179.7° |
| O19 | C18 | C17 | H3 | 1.9° | 0.0° |
| O19 | C18 | C26 | H7 | 1.9° | 0.1° |
| C18 | C26 | C27 | H7 | 180.0° | 179.6° |
| C26 | C18 | C17 | H3 | 179.5° | 180.0° |
| C18 | C26 | C27 | H15 | 179.5° | 180.0° |
| C21 | C22 | C23 | H13 | 179.4° | 179.8° |
| H1 | C5 | C6 | H2 | 0.0° | 0.0° |
| H3 | C17 | C16 | H12 | 0.3° | 0.3° |
| H4 | C21 | C22 | H5 | 0.1° | 0.1° |
| H5 | C22 | C23 | H13 | 0.6° | 0.3° |
| H6 | C24 | C23 | H13 | 0.0° | 0.5° |
| H6 | C24 | C25 | H14 | 1.2° | 0.5° |
| H7 | C26 | C27 | H15 | 0.6° | 0.4° |
