6Z8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | N11 | sing | 1.46Å | 1.47Å | |
| O25 | C17 | doub | 1.22Å | 1.22Å | |
| N11 | C17 | sing | 1.34Å | 1.40Å | |
| N11 | C6 | sing | 1.35Å | 1.41Å | |
| C17 | N10 | sing | 1.35Å | 1.39Å | |
| O12 | C6 | doub | 1.22Å | 1.22Å | |
| C6 | C2 | sing | 1.41Å | 1.43Å | |
| N10 | C18 | sing | 1.47Å | 1.47Å | |
| N10 | C5 | sing | 1.39Å | 1.39Å | |
| C2 | C5 | doub | 1.39Å | 1.34Å | Aromatic |
| C2 | N1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.33Å | 1.36Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| N1 | C3 | sing | 1.36Å | 1.38Å | Aromatic |
| N7 | C3 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | C9 | sing | 1.51Å | 1.51Å | |
| C16 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C28 | doub | 1.38Å | 1.37Å | Aromatic |
| C15 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | BR | sing | 1.89Å | 1.90Å | |
| C28 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | N8 | sing | 1.38Å | 1.41Å | |
| N8 | C13 | sing | 1.47Å | 1.47Å | |
| N8 | C14 | sing | 1.47Å | 1.47Å | |
| C13 | C20 | sing | 1.53Å | 1.53Å | |
| C14 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | N27 | sing | 1.47Å | 1.49Å | |
| C20 | C26 | sing | 1.53Å | 1.52Å | |
| C21 | C26 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.08Å | 1.08Å | |
| C24 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.08Å | 1.08Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| N27 | H22 | sing | 1.01Å | 1.00Å | |
| N27 | H23 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | N11 | C17 | 117.0° | 119.5° |
| C19 | N11 | C6 | 117.5° | 119.5° |
| N11 | C19 | H19 | 109.5° | 109.5° |
| N11 | C19 | H20 | 109.5° | 109.5° |
| N11 | C19 | H21 | 109.5° | 109.5° |
| O25 | C17 | N11 | 121.4° | 119.2° |
| O25 | C17 | N10 | 121.5° | 119.2° |
| C17 | N11 | C6 | 125.4° | 121.0° |
| N11 | C17 | N10 | 117.0° | 121.6° |
| N11 | C6 | O12 | 120.8° | 120.4° |
| N11 | C6 | C2 | 112.9° | 119.3° |
| C17 | N10 | C18 | 118.6° | 120.0° |
| C17 | N10 | C5 | 119.9° | 120.1° |
| O12 | C6 | C2 | 126.1° | 120.3° |
| C6 | C2 | C5 | 123.0° | 119.3° |
| C6 | C2 | N1 | 131.8° | 134.4° |
| C18 | N10 | C5 | 121.5° | 119.9° |
| N10 | C18 | H16 | 109.5° | 109.5° |
| N10 | C18 | H17 | 109.5° | 109.5° |
| N10 | C18 | H18 | 109.5° | 109.5° |
| N10 | C5 | C2 | 121.6° | 118.7° |
| N10 | C5 | N7 | 125.8° | 133.7° |
| C5 | C2 | N1 | 105.2° | 106.3° |
| C2 | C5 | N7 | 112.5° | 107.6° |
| C2 | N1 | C4 | 125.3° | 126.6° |
| C2 | N1 | C3 | 106.6° | 106.8° |
| C5 | N7 | C3 | 105.1° | 110.0° |
| C4 | N1 | C3 | 127.9° | 126.6° |
| N1 | C4 | C9 | 113.4° | 109.4° |
| N1 | C4 | H1 | 108.5° | 109.5° |
| N1 | C4 | H2 | 108.5° | 109.5° |
| N1 | C3 | N7 | 110.7° | 109.3° |
| N1 | C3 | N8 | 123.3° | 125.3° |
| N7 | C3 | N8 | 125.9° | 125.3° |
| C4 | C9 | C16 | 120.6° | 120.0° |
| C4 | C9 | C15 | 122.6° | 120.0° |
| C9 | C4 | H1 | 108.5° | 109.5° |
| C9 | C4 | H2 | 108.5° | 109.5° |
| C9 | C16 | C24 | 121.5° | 120.0° |
| C16 | C9 | C15 | 116.7° | 120.0° |
| C9 | C16 | H15 | 119.3° | 120.0° |
| C16 | C24 | C28 | 120.2° | 120.0° |
| C16 | C24 | H9 | 119.9° | 120.0° |
| C24 | C16 | H15 | 119.2° | 120.0° |
| C9 | C15 | C22 | 122.2° | 120.0° |
| C9 | C15 | BR | 120.3° | 120.0° |
| C24 | C28 | C22 | 120.0° | 120.0° |
| C28 | C24 | H9 | 119.9° | 120.0° |
| C24 | C28 | H12 | 120.0° | 120.0° |
| C22 | C15 | BR | 117.5° | 120.0° |
| C15 | C22 | C28 | 119.3° | 120.0° |
| C15 | C22 | H8 | 120.4° | 120.0° |
| C28 | C22 | H8 | 120.4° | 120.0° |
| C22 | C28 | H12 | 120.0° | 120.0° |
| C3 | N8 | C13 | 124.0° | 111.0° |
| C3 | N8 | C14 | 123.2° | 111.0° |
| C13 | N8 | C14 | 109.9° | 111.2° |
| N8 | C13 | C20 | 107.1° | 109.5° |
| N8 | C13 | H3 | 110.1° | 109.5° |
| N8 | C13 | H4 | 110.1° | 109.4° |
| N8 | C14 | C21 | 110.5° | 109.5° |
| N8 | C14 | H13 | 109.2° | 109.5° |
| N8 | C14 | H14 | 109.2° | 109.5° |
| C13 | C20 | N27 | 110.0° | 109.5° |
| C13 | C20 | C26 | 108.6° | 109.3° |
| C20 | C13 | H3 | 110.1° | 109.5° |
| C20 | C13 | H4 | 110.1° | 109.5° |
| C13 | C20 | H5 | 109.0° | 109.5° |
| C14 | C21 | C26 | 111.3° | 109.3° |
| C14 | C21 | H6 | 109.1° | 109.4° |
| C14 | C21 | H7 | 109.0° | 109.5° |
| C21 | C14 | H13 | 109.2° | 109.4° |
| C21 | C14 | H14 | 109.2° | 109.4° |
| N27 | C20 | C26 | 110.7° | 109.5° |
| N27 | C20 | H5 | 109.4° | 109.5° |
| C20 | N27 | H22 | 109.5° | 111.1° |
| C20 | N27 | H23 | 109.5° | 111.0° |
| C20 | C26 | C21 | 110.3° | 109.2° |
| C26 | C20 | H5 | 109.1° | 109.5° |
| C20 | C26 | H10 | 109.3° | 109.6° |
| C20 | C26 | H11 | 109.3° | 109.5° |
| C26 | C21 | H6 | 109.0° | 109.5° |
| C26 | C21 | H7 | 109.0° | 109.6° |
| C21 | C26 | H10 | 109.3° | 109.5° |
| C21 | C26 | H11 | 109.3° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H10 | C26 | H11 | 109.5° | 109.6° |
| H13 | C14 | H14 | 109.4° | 109.5° |
| H16 | C18 | H17 | 109.4° | 109.5° |
| H16 | C18 | H18 | 109.5° | 109.5° |
| H17 | C18 | H18 | 109.5° | 109.4° |
| H19 | C19 | H20 | 109.5° | 109.5° |
| H19 | C19 | H21 | 109.5° | 109.5° |
| H20 | C19 | H21 | 109.5° | 109.4° |
| H22 | N27 | H23 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | N11 | C17 | O25 | 1.3° | 0.0° |
| C19 | N11 | C17 | C6 | 178.4° | 179.5° |
| C19 | N11 | C17 | N10 | 177.5° | 180.0° |
| C19 | N11 | C6 | O12 | 4.2° | 0.1° |
| C19 | N11 | C6 | C2 | 179.6° | 179.8° |
| N11 | C19 | H19 | H20 | 120.0° | 120.0° |
| N11 | C19 | H19 | H21 | 120.0° | 120.0° |
| N11 | C19 | H20 | H21 | 120.0° | 120.0° |
| O25 | C17 | N11 | N10 | 178.9° | 179.9° |
| O25 | C17 | N11 | C6 | 179.7° | 179.6° |
| O25 | C17 | N10 | C18 | 1.4° | 0.0° |
| O25 | C17 | N10 | C5 | 178.7° | 179.7° |
| C17 | N11 | C6 | O12 | 177.4° | 179.7° |
| C17 | N11 | C6 | C2 | 2.0° | 0.3° |
| N11 | C17 | N10 | C18 | 179.7° | 180.0° |
| N11 | C17 | N10 | C5 | 2.4° | 0.4° |
| C17 | N11 | C19 | H19 | 180.0° | 0.0° |
| C17 | N11 | C19 | H20 | 60.0° | 120.0° |
| C17 | N11 | C19 | H21 | 60.0° | 120.0° |
| C6 | N11 | C17 | N10 | 0.8° | 0.5° |
| N11 | C6 | O12 | C2 | 174.7° | 180.0° |
| N11 | C6 | C2 | C5 | 3.5° | 0.0° |
| N11 | C6 | C2 | N1 | 175.8° | 180.0° |
| C6 | N11 | C19 | H19 | 1.5° | 179.5° |
| C6 | N11 | C19 | H20 | 121.5° | 59.5° |
| C6 | N11 | C19 | H21 | 118.5° | 60.5° |
| C17 | N10 | C18 | C5 | 177.2° | 179.7° |
| C17 | N10 | C5 | C2 | 1.1° | 0.0° |
| C17 | N10 | C5 | N7 | 175.6° | 180.0° |
| C17 | N10 | C18 | H16 | 180.0° | 0.0° |
| C17 | N10 | C18 | H17 | 60.0° | 120.0° |
| C17 | N10 | C18 | H18 | 60.0° | 120.0° |
| O12 | C6 | C2 | C5 | 178.6° | 180.0° |
| O12 | C6 | C2 | N1 | 0.7° | 0.0° |
| C6 | C2 | C5 | N10 | 2.2° | 0.1° |
| C6 | C2 | C5 | N1 | 179.5° | 180.0° |
| C6 | C2 | C5 | N7 | 179.2° | 179.8° |
| C6 | C2 | N1 | C4 | 4.4° | 0.0° |
| C6 | C2 | N1 | C3 | 179.4° | 179.7° |
| C18 | N10 | C5 | C2 | 178.2° | 179.7° |
| C18 | N10 | C5 | N7 | 1.6° | 0.4° |
| N10 | C18 | H16 | H17 | 120.0° | 120.0° |
| N10 | C18 | H16 | H18 | 120.0° | 120.0° |
| N10 | C18 | H17 | H18 | 120.0° | 120.0° |
| N10 | C5 | C2 | N7 | 177.1° | 180.0° |
| N10 | C5 | C2 | N1 | 177.3° | 179.9° |
| N10 | C5 | N7 | C3 | 178.6° | 180.0° |
| C5 | N10 | C18 | H16 | 2.8° | 179.6° |
| C5 | N10 | C18 | H17 | 122.8° | 60.3° |
| C5 | N10 | C18 | H18 | 117.2° | 59.6° |
| C5 | C2 | N1 | C4 | 176.2° | 180.0° |
| C5 | C2 | N1 | C3 | 1.2° | 0.3° |
| C2 | C5 | N7 | C3 | 1.7° | 0.0° |
| N1 | C2 | C5 | N7 | 0.3° | 0.2° |
| C2 | N1 | C4 | C3 | 173.9° | 179.7° |
| C2 | N1 | C3 | N7 | 2.4° | 0.3° |
| C2 | N1 | C4 | C9 | 80.7° | 90.7° |
| C2 | N1 | C3 | N8 | 179.9° | 179.7° |
| C2 | N1 | C4 | H1 | 158.8° | 149.3° |
| C2 | N1 | C4 | H2 | 39.9° | 29.3° |
| C5 | N7 | C3 | N1 | 2.4° | 0.2° |
| C5 | N7 | C3 | N8 | 179.9° | 179.8° |
| C4 | N1 | C3 | N7 | 177.1° | 180.0° |
| N1 | C4 | C9 | H1 | 120.6° | 120.0° |
| N1 | C4 | C9 | H2 | 120.6° | 120.0° |
| N1 | C4 | C9 | C16 | 8.0° | 63.3° |
| N1 | C4 | C9 | C15 | 174.0° | 116.9° |
| C4 | N1 | C3 | N8 | 5.4° | 0.0° |
| N1 | C4 | H1 | H2 | 118.2° | 120.0° |
| N1 | C3 | N7 | N8 | 177.4° | 180.0° |
| C3 | N1 | C4 | C9 | 93.2° | 89.6° |
| N1 | C3 | N8 | C13 | 29.4° | 154.3° |
| N1 | C3 | N8 | C14 | 171.6° | 81.5° |
| C3 | N1 | C4 | H1 | 27.4° | 30.4° |
| C3 | N1 | C4 | H2 | 146.3° | 150.4° |
| N7 | C3 | N8 | C13 | 153.5° | 25.7° |
| N7 | C3 | N8 | C14 | 5.5° | 98.5° |
| C4 | C9 | C16 | C15 | 178.1° | 179.9° |
| C4 | C9 | C16 | C24 | 177.6° | 179.5° |
| C4 | C9 | C15 | C22 | 179.4° | 179.9° |
| C4 | C9 | C15 | BR | 0.7° | 0.2° |
| C9 | C4 | H1 | H2 | 118.2° | 120.0° |
| C4 | C9 | C16 | H15 | 2.4° | 0.2° |
| C9 | C16 | C24 | H15 | 180.0° | 179.3° |
| C9 | C16 | C24 | C28 | 0.6° | 0.8° |
| C16 | C9 | C15 | C22 | 1.3° | 0.1° |
| C16 | C9 | C15 | BR | 178.8° | 179.7° |
| C16 | C9 | C4 | H1 | 112.6° | 176.7° |
| C16 | C9 | C4 | H2 | 128.6° | 56.7° |
| C9 | C16 | C24 | H9 | 179.4° | 179.7° |
| C24 | C16 | C9 | C15 | 0.5° | 0.6° |
| C16 | C24 | C28 | H9 | 180.0° | 179.5° |
| C16 | C24 | C28 | C22 | 1.2° | 0.5° |
| C16 | C24 | C28 | H12 | 178.8° | 179.5° |
| C9 | C15 | C22 | BR | 179.8° | 179.7° |
| C9 | C15 | C22 | C28 | 3.1° | 0.2° |
| C15 | C9 | C4 | H1 | 65.4° | 3.1° |
| C15 | C9 | C4 | H2 | 53.4° | 123.2° |
| C9 | C15 | C22 | H8 | 176.9° | 179.8° |
| C15 | C9 | C16 | H15 | 179.5° | 180.0° |
| C24 | C28 | C22 | C15 | 3.0° | 0.0° |
| C24 | C28 | C22 | H12 | 180.0° | 180.0° |
| C24 | C28 | C22 | H8 | 177.0° | 179.9° |
| C28 | C24 | C16 | H15 | 179.4° | 179.8° |
| C15 | C22 | C28 | H8 | 180.0° | 179.9° |
| C15 | C22 | C28 | H12 | 177.0° | 180.0° |
| BR | C15 | C22 | C28 | 177.1° | 180.0° |
| BR | C15 | C22 | H8 | 3.0° | 0.1° |
| C22 | C28 | C24 | H9 | 178.8° | 180.0° |
| C3 | N8 | C13 | C14 | 161.4° | 124.1° |
| C3 | N8 | C13 | C20 | 94.1° | 174.1° |
| C3 | N8 | C14 | C21 | 99.9° | 174.2° |
| C3 | N8 | C13 | H3 | 146.2° | 65.8° |
| C3 | N8 | C13 | H4 | 25.5° | 54.2° |
| C3 | N8 | C14 | H13 | 20.3° | 54.2° |
| C3 | N8 | C14 | H14 | 139.9° | 65.8° |
| N8 | C13 | C20 | H3 | 119.6° | 120.0° |
| N8 | C13 | C20 | H4 | 119.6° | 120.0° |
| C13 | N8 | C14 | C21 | 61.6° | 61.7° |
| N8 | C13 | C20 | N27 | 174.0° | 60.7° |
| N8 | C13 | C20 | C26 | 64.7° | 59.2° |
| N8 | C13 | H3 | H4 | 121.1° | 120.0° |
| N8 | C13 | C20 | H5 | 54.1° | 179.2° |
| C13 | N8 | C14 | H13 | 178.2° | 178.3° |
| C13 | N8 | C14 | H14 | 58.5° | 58.2° |
| C14 | N8 | C13 | C20 | 67.2° | 61.8° |
| N8 | C14 | C21 | H13 | 120.2° | 120.1° |
| N8 | C14 | C21 | H14 | 120.2° | 120.0° |
| N8 | C14 | C21 | C26 | 52.9° | 59.1° |
| C14 | N8 | C13 | H3 | 52.4° | 58.3° |
| C14 | N8 | C13 | H4 | 173.1° | 178.3° |
| N8 | C14 | C21 | H6 | 67.4° | 60.8° |
| N8 | C14 | C21 | H7 | 173.1° | 179.2° |
| N8 | C14 | H13 | H14 | 119.5° | 120.0° |
| C13 | C20 | N27 | C26 | 120.1° | 119.8° |
| C13 | C20 | N27 | H5 | 119.6° | 120.1° |
| C13 | C20 | C26 | H5 | 118.7° | 120.0° |
| C13 | C20 | C26 | C21 | 57.1° | 57.7° |
| C20 | C13 | H3 | H4 | 121.1° | 120.0° |
| C13 | C20 | C26 | H10 | 63.0° | 177.6° |
| C13 | C20 | C26 | H11 | 177.2° | 62.2° |
| C13 | C20 | N27 | H22 | 180.0° | 173.7° |
| C13 | C20 | N27 | H23 | 60.0° | 49.7° |
| C14 | C21 | C26 | C20 | 51.3° | 57.6° |
| C14 | C21 | C26 | H6 | 120.3° | 119.9° |
| C14 | C21 | C26 | H7 | 120.3° | 120.0° |
| C14 | C21 | H6 | H7 | 119.2° | 120.1° |
| C14 | C21 | C26 | H10 | 68.8° | 177.6° |
| C14 | C21 | C26 | H11 | 171.4° | 62.3° |
| C21 | C14 | H13 | H14 | 119.5° | 119.9° |
| N27 | C20 | C26 | H5 | 120.5° | 120.1° |
| N27 | C20 | C26 | C21 | 178.0° | 62.3° |
| N27 | C20 | C13 | H3 | 66.4° | 179.2° |
| N27 | C20 | C13 | H4 | 54.4° | 59.2° |
| N27 | C20 | C26 | H10 | 57.8° | 57.6° |
| N27 | C20 | C26 | H11 | 61.9° | 177.8° |
| C20 | N27 | H22 | H23 | 120.0° | 124.0° |
| C20 | C26 | C21 | H10 | 120.1° | 119.9° |
| C20 | C26 | C21 | H11 | 120.1° | 119.9° |
| C26 | C20 | C13 | H3 | 54.9° | 60.8° |
| C26 | C20 | C13 | H4 | 175.7° | 179.1° |
| C20 | C26 | C21 | H6 | 69.0° | 62.2° |
| C20 | C26 | C21 | H7 | 171.6° | 177.6° |
| C20 | C26 | H10 | H11 | 119.6° | 120.2° |
| C26 | C20 | N27 | H22 | 59.9° | 53.9° |
| C26 | C20 | N27 | H23 | 60.1° | 70.1° |
| C21 | C26 | C20 | H5 | 61.6° | 177.6° |
| C26 | C21 | H6 | H7 | 119.2° | 120.2° |
| C21 | C26 | H10 | H11 | 119.6° | 120.1° |
| C26 | C21 | C14 | H13 | 173.0° | 179.2° |
| C26 | C21 | C14 | H14 | 67.3° | 60.9° |
| H3 | C13 | C20 | H5 | 173.7° | 59.2° |
| H4 | C13 | C20 | H5 | 65.5° | 60.9° |
| H5 | C20 | C26 | H10 | 178.3° | 62.5° |
| H5 | C20 | C26 | H11 | 58.6° | 57.7° |
| H5 | C20 | N27 | H22 | 60.4° | 66.2° |
| H5 | C20 | N27 | H23 | 179.6° | 169.8° |
| H6 | C21 | C26 | H10 | 170.9° | 57.7° |
| H6 | C21 | C26 | H11 | 51.1° | 177.8° |
| H6 | C21 | C14 | H13 | 52.8° | 59.3° |
| H6 | C21 | C14 | H14 | 172.4° | 179.2° |
| H7 | C21 | C26 | H10 | 51.4° | 62.4° |
| H7 | C21 | C26 | H11 | 68.3° | 57.7° |
| H7 | C21 | C14 | H13 | 66.7° | 60.8° |
| H7 | C21 | C14 | H14 | 53.0° | 59.2° |
| H8 | C22 | C28 | H12 | 3.0° | 0.1° |
| H9 | C24 | C28 | H12 | 1.2° | 0.0° |
| H9 | C24 | C16 | H15 | 0.6° | 0.3° |
| H16 | C18 | H17 | H18 | 120.0° | 120.0° |
| H19 | C19 | H20 | H21 | 120.0° | 120.0° |
