7Z7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N14 | sing | 1.46Å | 1.46Å | |
| C19 | C21 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C24 | sing | 1.38Å | 1.37Å | Aromatic |
| O23 | C13 | sing | 1.43Å | 1.43Å | |
| N14 | C12 | sing | 1.35Å | 1.36Å | |
| C21 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| O27 | C25 | sing | 1.43Å | 1.43Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C12 | O16 | doub | 1.21Å | 1.20Å | |
| C13 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C15 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | N3 | sing | 1.40Å | 1.38Å | |
| N3 | C2 | sing | 1.36Å | 1.34Å | Aromatic |
| N3 | N5 | sing | 1.40Å | 1.43Å | Aromatic |
| O17 | C2 | sing | 1.36Å | 1.35Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.30Å | Aromatic |
| C1 | C7 | sing | 1.41Å | 1.42Å | Aromatic |
| C1 | C4 | sing | 1.48Å | 1.47Å | |
| N6 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| N6 | C11 | sing | 1.37Å | 1.35Å | Aromatic |
| C4 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C20 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C10 | sing | 1.46Å | 1.45Å | Aromatic |
| C10 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | N18 | doub | 1.32Å | 1.33Å | Aromatic |
| C22 | N18 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C26 | H8 | sing | 1.08Å | 1.08Å | |
| C28 | H9 | sing | 1.08Å | 1.08Å | |
| N6 | H11 | sing | 0.97Å | 1.00Å | |
| N14 | H12 | sing | 0.97Å | 1.00Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| O23 | H15 | sing | 0.97Å | 0.95Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| O27 | H18 | sing | 0.97Å | 0.95Å | |
| C29 | H19 | sing | 1.08Å | 1.08Å | |
| O17 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N14 | C19 | C21 | 111.7° | 109.5° |
| C19 | N14 | C12 | 117.8° | 120.0° |
| C19 | N14 | H12 | 121.1° | 120.1° |
| N14 | C19 | H13 | 108.9° | 109.5° |
| N14 | C19 | H14 | 108.9° | 109.5° |
| C19 | C21 | C29 | 117.0° | 120.0° |
| C19 | C21 | C15 | 122.9° | 120.0° |
| C21 | C19 | H13 | 108.9° | 109.5° |
| C21 | C19 | H14 | 108.9° | 109.4° |
| C28 | C29 | C21 | 119.5° | 120.1° |
| C29 | C28 | C24 | 121.7° | 120.1° |
| C29 | C28 | H9 | 119.1° | 120.0° |
| C28 | C29 | H19 | 120.2° | 119.9° |
| C29 | C21 | C15 | 120.1° | 120.1° |
| C21 | C29 | H19 | 120.2° | 119.9° |
| C28 | C24 | C9 | 119.0° | 119.9° |
| C28 | C24 | H7 | 120.5° | 120.0° |
| C24 | C28 | H9 | 119.2° | 119.9° |
| O23 | C13 | C12 | 110.3° | 109.5° |
| O23 | C13 | C25 | 111.0° | 109.4° |
| O23 | C13 | H3 | 109.8° | 109.4° |
| C13 | O23 | H15 | 109.5° | 114.0° |
| N14 | C12 | C13 | 121.7° | 120.0° |
| N14 | C12 | O16 | 120.1° | 119.9° |
| C12 | N14 | H12 | 121.1° | 119.9° |
| C21 | C15 | C9 | 119.4° | 119.9° |
| C21 | C15 | H4 | 120.3° | 120.0° |
| O27 | C25 | C13 | 109.6° | 109.5° |
| O27 | C25 | H16 | 109.4° | 109.5° |
| O27 | C25 | H17 | 109.4° | 109.5° |
| C25 | O27 | H18 | 109.5° | 114.0° |
| C13 | C12 | O16 | 118.1° | 120.1° |
| C12 | C13 | C25 | 108.4° | 109.5° |
| C12 | C13 | H3 | 108.8° | 109.5° |
| C25 | C13 | H3 | 108.5° | 109.5° |
| C13 | C25 | H16 | 109.4° | 109.5° |
| C13 | C25 | H17 | 109.5° | 109.4° |
| C24 | C9 | C15 | 120.3° | 119.9° |
| C24 | C9 | N3 | 119.3° | 120.1° |
| C9 | C24 | H7 | 120.5° | 120.0° |
| C15 | C9 | N3 | 120.5° | 120.0° |
| C9 | C15 | H4 | 120.3° | 120.1° |
| C9 | N3 | C2 | 126.5° | 125.9° |
| C9 | N3 | N5 | 126.1° | 125.8° |
| C2 | N3 | N5 | 107.3° | 108.2° |
| N3 | C2 | O17 | 123.4° | 126.4° |
| N3 | C2 | C1 | 109.5° | 107.2° |
| N3 | N5 | C7 | 107.8° | 109.0° |
| O17 | C2 | C1 | 127.1° | 126.4° |
| C2 | O17 | H10 | 109.5° | 114.0° |
| C2 | C1 | C7 | 105.1° | 107.3° |
| C2 | C1 | C4 | 125.9° | 126.4° |
| N5 | C7 | C1 | 110.2° | 108.4° |
| N5 | C7 | H1 | 124.9° | 125.8° |
| C7 | C1 | C4 | 129.0° | 126.4° |
| C1 | C7 | H1 | 124.9° | 125.8° |
| C1 | C4 | N6 | 122.8° | 125.2° |
| C1 | C4 | C8 | 129.6° | 125.2° |
| C4 | N6 | C11 | 111.5° | 109.8° |
| N6 | C4 | C8 | 107.5° | 109.6° |
| C4 | N6 | H11 | 124.3° | 125.1° |
| N6 | C11 | C20 | 133.2° | 134.4° |
| N6 | C11 | C10 | 107.3° | 107.5° |
| C11 | N6 | H11 | 124.3° | 125.1° |
| C4 | C8 | C10 | 107.6° | 106.9° |
| C4 | C8 | H2 | 126.2° | 126.5° |
| C20 | C11 | C10 | 119.4° | 118.1° |
| C11 | C20 | C26 | 119.1° | 118.9° |
| C11 | C20 | H5 | 120.4° | 120.6° |
| C11 | C10 | C8 | 106.0° | 106.2° |
| C11 | C10 | C22 | 117.1° | 119.1° |
| C20 | C26 | N18 | 120.3° | 121.5° |
| C26 | C20 | H5 | 120.4° | 120.5° |
| C20 | C26 | H8 | 119.9° | 119.3° |
| C8 | C10 | C22 | 136.9° | 134.7° |
| C10 | C8 | H2 | 126.2° | 126.6° |
| C10 | C22 | N18 | 121.5° | 120.1° |
| C10 | C22 | H6 | 119.2° | 119.9° |
| C26 | N18 | C22 | 122.6° | 122.2° |
| N18 | C26 | H8 | 119.9° | 119.2° |
| N18 | C22 | H6 | 119.3° | 119.9° |
| H13 | C19 | H14 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N14 | C19 | C21 | H13 | 120.3° | 120.0° |
| N14 | C19 | C21 | H14 | 120.3° | 120.0° |
| N14 | C19 | C21 | C29 | 158.2° | 89.9° |
| C19 | N14 | C12 | H12 | 180.0° | 180.0° |
| N14 | C19 | C21 | C15 | 21.8° | 90.0° |
| C19 | N14 | C12 | C13 | 1.7° | 180.0° |
| C19 | N14 | C12 | O16 | 179.9° | 0.0° |
| N14 | C19 | H13 | H14 | 119.0° | 120.0° |
| C19 | C21 | C29 | C28 | 179.8° | 180.0° |
| C19 | C21 | C29 | C15 | 180.0° | 179.9° |
| C21 | C19 | N14 | C12 | 87.2° | 180.0° |
| C19 | C21 | C15 | C9 | 179.3° | 180.0° |
| C19 | C21 | C15 | H4 | 0.6° | 0.2° |
| C21 | C19 | N14 | H12 | 92.8° | 0.0° |
| C21 | C19 | H13 | H14 | 119.0° | 120.0° |
| C19 | C21 | C29 | H19 | 0.2° | 0.1° |
| C28 | C29 | C21 | H19 | 180.0° | 179.9° |
| C29 | C28 | C24 | H9 | 180.0° | 179.5° |
| C28 | C29 | C21 | C15 | 0.2° | 0.1° |
| C29 | C28 | C24 | C9 | 1.3° | 0.5° |
| C29 | C28 | C24 | H7 | 178.7° | 180.0° |
| C21 | C29 | C28 | C24 | 0.5° | 0.2° |
| C29 | C21 | C15 | C9 | 0.7° | 0.1° |
| C29 | C21 | C15 | H4 | 179.3° | 179.7° |
| C21 | C29 | C28 | H9 | 179.5° | 179.7° |
| C29 | C21 | C19 | H13 | 37.9° | 30.1° |
| C29 | C21 | C19 | H14 | 81.5° | 150.0° |
| C28 | C24 | C9 | H7 | 180.0° | 179.5° |
| C28 | C24 | C9 | C15 | 1.8° | 0.5° |
| C28 | C24 | C9 | N3 | 179.9° | 179.5° |
| C24 | C28 | C29 | H19 | 179.5° | 179.9° |
| O23 | C13 | C12 | N14 | 23.0° | 175.0° |
| O23 | C13 | C25 | O27 | 21.3° | 65.0° |
| O23 | C13 | C12 | C25 | 121.7° | 119.9° |
| O23 | C13 | C12 | H3 | 120.5° | 120.0° |
| O23 | C13 | C12 | O16 | 158.6° | 5.0° |
| O23 | C13 | C25 | H3 | 120.8° | 119.9° |
| O23 | C13 | C25 | H16 | 141.4° | 55.0° |
| O23 | C13 | C25 | H17 | 98.7° | 175.0° |
| N14 | C12 | C13 | O16 | 178.4° | 180.0° |
| N14 | C12 | C13 | C25 | 144.6° | 65.1° |
| N14 | C12 | C13 | H3 | 97.5° | 55.0° |
| C12 | N14 | C19 | H13 | 152.5° | 60.0° |
| C12 | N14 | C19 | H14 | 33.1° | 60.0° |
| C21 | C15 | C9 | C24 | 1.5° | 0.2° |
| C21 | C15 | C9 | H4 | 180.0° | 179.8° |
| C21 | C15 | C9 | N3 | 179.8° | 179.8° |
| C15 | C21 | C19 | H13 | 142.1° | 150.0° |
| C15 | C21 | C19 | H14 | 98.6° | 30.0° |
| C15 | C21 | C29 | H19 | 179.8° | 179.8° |
| O27 | C25 | C13 | C12 | 142.6° | 175.0° |
| O27 | C25 | C13 | H16 | 120.0° | 120.0° |
| O27 | C25 | C13 | H17 | 120.0° | 120.0° |
| O27 | C25 | C13 | H3 | 99.4° | 54.9° |
| O27 | C25 | H16 | H17 | 119.9° | 120.0° |
| C12 | C13 | C25 | H3 | 118.0° | 120.1° |
| C13 | C12 | N14 | H12 | 178.3° | 0.0° |
| C12 | C13 | O23 | H15 | 180.0° | 60.0° |
| C12 | C13 | C25 | H16 | 97.4° | 65.0° |
| C12 | C13 | C25 | H17 | 22.6° | 55.0° |
| O16 | C12 | C13 | C25 | 37.0° | 115.0° |
| O16 | C12 | C13 | H3 | 80.9° | 125.0° |
| O16 | C12 | N14 | H12 | 0.1° | 180.0° |
| C25 | C13 | O23 | H15 | 59.8° | 60.0° |
| C13 | C25 | H16 | H17 | 120.0° | 120.0° |
| C13 | C25 | O27 | H18 | 180.0° | 180.0° |
| C24 | C9 | C15 | N3 | 178.3° | 180.0° |
| C24 | C9 | N3 | C2 | 46.8° | 35.0° |
| C24 | C9 | N3 | N5 | 135.7° | 144.6° |
| C24 | C9 | C15 | H4 | 178.5° | 180.0° |
| C9 | C24 | C28 | H9 | 178.7° | 180.0° |
| C15 | C9 | N3 | C2 | 131.6° | 145.0° |
| C15 | C9 | N3 | N5 | 45.9° | 35.4° |
| C15 | C9 | C24 | H7 | 178.2° | 180.0° |
| C9 | N3 | C2 | N5 | 177.9° | 179.7° |
| C9 | N3 | C2 | O17 | 1.5° | 0.3° |
| C9 | N3 | C2 | C1 | 178.0° | 179.7° |
| C9 | N3 | N5 | C7 | 177.7° | 179.7° |
| N3 | C9 | C15 | H4 | 0.2° | 0.0° |
| N3 | C9 | C24 | H7 | 0.1° | 0.0° |
| N3 | C2 | O17 | C1 | 179.4° | 180.0° |
| C2 | N3 | N5 | C7 | 0.1° | 0.1° |
| N3 | C2 | C1 | C7 | 0.4° | 0.0° |
| N3 | C2 | C1 | C4 | 178.5° | 180.0° |
| N3 | C2 | O17 | H10 | 180.0° | 90.0° |
| N5 | N3 | C2 | O17 | 179.3° | 180.0° |
| N5 | N3 | C2 | C1 | 0.2° | 0.1° |
| N3 | N5 | C7 | C1 | 0.4° | 0.0° |
| N3 | N5 | C7 | H1 | 179.6° | 179.9° |
| O17 | C2 | C1 | C7 | 179.1° | 180.0° |
| O17 | C2 | C1 | C4 | 1.0° | 0.0° |
| C2 | C1 | C7 | N5 | 0.5° | 0.0° |
| C2 | C1 | C7 | C4 | 178.0° | 180.0° |
| C2 | C1 | C4 | N6 | 3.6° | 140.2° |
| C2 | C1 | C4 | C8 | 174.5° | 40.0° |
| C2 | C1 | C7 | H1 | 179.5° | 180.0° |
| C1 | C2 | O17 | H10 | 0.6° | 90.0° |
| N5 | C7 | C1 | H1 | 180.0° | 180.0° |
| N5 | C7 | C1 | C4 | 178.5° | 180.0° |
| C7 | C1 | C4 | N6 | 178.7° | 39.7° |
| C7 | C1 | C4 | C8 | 3.2° | 140.1° |
| C1 | C4 | N6 | C8 | 178.5° | 179.8° |
| C1 | C4 | N6 | C11 | 178.8° | 179.8° |
| C1 | C4 | C8 | C10 | 178.9° | 180.0° |
| C4 | C1 | C7 | H1 | 1.5° | 0.1° |
| C1 | C4 | C8 | H2 | 1.1° | 0.1° |
| C1 | C4 | N6 | H11 | 1.2° | 0.1° |
| C4 | N6 | C11 | H11 | 180.0° | 179.7° |
| C4 | N6 | C11 | C20 | 178.9° | 180.0° |
| C4 | N6 | C11 | C10 | 0.1° | 0.4° |
| N6 | C4 | C8 | C10 | 0.6° | 0.2° |
| N6 | C4 | C8 | H2 | 179.4° | 179.8° |
| C11 | N6 | C4 | C8 | 0.3° | 0.3° |
| N6 | C11 | C20 | C10 | 178.7° | 179.6° |
| N6 | C11 | C20 | C26 | 179.8° | 179.7° |
| N6 | C11 | C10 | C8 | 0.5° | 0.3° |
| N6 | C11 | C10 | C22 | 179.8° | 179.8° |
| N6 | C11 | C20 | H5 | 0.2° | 0.4° |
| C4 | C8 | C10 | C11 | 0.7° | 0.0° |
| C4 | C8 | C10 | H2 | 180.0° | 179.9° |
| C4 | C8 | C10 | C22 | 179.7° | 180.0° |
| C8 | C4 | N6 | H11 | 179.7° | 180.0° |
| C11 | C20 | C26 | H5 | 180.0° | 179.9° |
| C20 | C11 | C10 | C8 | 179.5° | 179.9° |
| C20 | C11 | C10 | C22 | 1.2° | 0.1° |
| C11 | C20 | C26 | N18 | 0.1° | 0.2° |
| C11 | C20 | C26 | H8 | 179.9° | 179.8° |
| C20 | C11 | N6 | H11 | 1.1° | 0.3° |
| C10 | C11 | C20 | C26 | 1.5° | 0.1° |
| C11 | C10 | C8 | C22 | 179.1° | 180.0° |
| C11 | C10 | C22 | N18 | 0.4° | 0.0° |
| C11 | C10 | C8 | H2 | 179.3° | 180.0° |
| C10 | C11 | C20 | H5 | 178.5° | 180.0° |
| C11 | C10 | C22 | H6 | 179.6° | 179.9° |
| C10 | C11 | N6 | H11 | 179.9° | 179.9° |
| C20 | C26 | N18 | H8 | 180.0° | 179.9° |
| C20 | C26 | N18 | C22 | 1.6° | 0.1° |
| C8 | C10 | C22 | N18 | 178.6° | 180.0° |
| C8 | C10 | C22 | H6 | 1.4° | 0.1° |
| C10 | C22 | N18 | C26 | 1.9° | 0.0° |
| C10 | C22 | N18 | H6 | 180.0° | 179.9° |
| C22 | C10 | C8 | H2 | 0.3° | 0.0° |
| N18 | C26 | C20 | H5 | 179.9° | 180.0° |
| C26 | N18 | C22 | H6 | 178.1° | 179.9° |
| C22 | N18 | C26 | H8 | 178.4° | 179.8° |
| H3 | C13 | O23 | H15 | 60.1° | 180.0° |
| H3 | C13 | C25 | H16 | 20.6° | 174.9° |
| H3 | C13 | C25 | H17 | 140.6° | 65.1° |
| H5 | C20 | C26 | H8 | 0.1° | 0.1° |
| H7 | C24 | C28 | H9 | 1.3° | 0.5° |
| H9 | C28 | C29 | H19 | 0.5° | 0.4° |
| H12 | N14 | C19 | H13 | 27.5° | 120.0° |
| H12 | N14 | C19 | H14 | 146.9° | 120.0° |
| H16 | C25 | O27 | H18 | 60.0° | 59.9° |
| H17 | C25 | O27 | H18 | 59.9° | 60.0° |
