7Z6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C16 | doub | 1.21Å | 1.22Å | |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | N22 | sing | 1.34Å | 1.38Å | |
| C17 | C9 | sing | 1.51Å | 1.49Å | |
| N22 | C11 | sing | 1.40Å | 1.39Å | |
| C9 | C11 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C3 | doub | 1.39Å | 1.37Å | Aromatic |
| C5 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C12 | N23 | sing | 1.40Å | 1.41Å | |
| N23 | C14 | sing | 1.39Å | 1.41Å | |
| N19 | C6 | doub | 1.32Å | 1.34Å | Aromatic |
| N19 | C7 | sing | 1.32Å | 1.34Å | Aromatic |
| C6 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | N21 | doub | 1.33Å | 1.34Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| CL1 | C13 | sing | 1.74Å | 1.73Å | |
| N21 | C15 | sing | 1.32Å | 1.35Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C18 | sing | 1.51Å | 1.49Å | |
| C18 | N24 | sing | 1.47Å | 1.46Å | |
| C15 | N24 | sing | 1.38Å | 1.41Å | |
| C15 | N20 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | N20 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| N22 | H13 | sing | 0.97Å | 1.00Å | |
| N23 | H14 | sing | 0.97Å | 1.00Å | |
| N24 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C16 | C17 | 126.0° | 126.4° |
| O25 | C16 | N22 | 127.1° | 126.4° |
| C17 | C16 | N22 | 106.9° | 107.1° |
| C16 | C17 | C9 | 102.7° | 104.1° |
| C16 | C17 | H6 | 111.1° | 110.5° |
| C16 | C17 | H7 | 111.2° | 110.6° |
| C16 | N22 | C11 | 111.6° | 112.2° |
| C16 | N22 | H13 | 124.2° | 123.9° |
| C17 | C9 | C11 | 109.5° | 106.4° |
| C17 | C9 | C5 | 130.3° | 132.8° |
| C9 | C17 | H6 | 111.1° | 110.5° |
| C9 | C17 | H7 | 111.1° | 110.5° |
| N22 | C11 | C9 | 109.3° | 110.2° |
| N22 | C11 | C3 | 128.2° | 130.7° |
| C11 | N22 | H13 | 124.2° | 123.9° |
| C11 | C9 | C5 | 120.2° | 120.9° |
| C9 | C11 | C3 | 122.5° | 119.1° |
| C9 | C5 | C12 | 118.4° | 119.9° |
| C9 | C5 | H2 | 120.8° | 120.1° |
| C11 | C3 | C4 | 117.5° | 120.2° |
| C11 | C3 | H10 | 121.3° | 119.9° |
| C5 | C12 | C4 | 120.5° | 119.7° |
| C5 | C12 | N23 | 120.8° | 120.2° |
| C12 | C5 | H2 | 120.8° | 120.1° |
| C3 | C4 | C12 | 120.9° | 120.3° |
| C3 | C4 | H1 | 119.5° | 119.8° |
| C4 | C3 | H10 | 121.3° | 119.9° |
| C4 | C12 | N23 | 118.7° | 120.1° |
| C12 | C4 | H1 | 119.5° | 119.9° |
| C12 | N23 | C14 | 124.6° | 120.0° |
| C12 | N23 | H14 | 117.7° | 119.9° |
| N23 | C14 | N21 | 118.7° | 120.5° |
| N23 | C14 | C13 | 120.9° | 120.5° |
| C14 | N23 | H14 | 117.7° | 120.0° |
| C6 | N19 | C7 | 115.1° | 121.8° |
| N19 | C6 | C1 | 124.7° | 120.7° |
| N19 | C6 | H3 | 117.6° | 119.6° |
| N19 | C7 | C10 | 124.8° | 120.8° |
| N19 | C7 | H4 | 117.6° | 119.6° |
| C6 | C1 | C2 | 118.5° | 119.2° |
| C1 | C6 | H3 | 117.6° | 119.6° |
| C6 | C1 | H8 | 120.8° | 120.4° |
| N21 | C14 | C13 | 120.3° | 119.0° |
| C14 | N21 | C15 | 118.4° | 120.6° |
| C14 | C13 | CL1 | 122.1° | 120.8° |
| C14 | C13 | C8 | 118.1° | 118.5° |
| C7 | C10 | C2 | 118.4° | 119.2° |
| C7 | C10 | C18 | 118.7° | 120.5° |
| C10 | C7 | H4 | 117.6° | 119.6° |
| CL1 | C13 | C8 | 119.8° | 120.7° |
| N21 | C15 | N24 | 118.8° | 119.2° |
| N21 | C15 | N20 | 124.4° | 121.7° |
| C13 | C8 | N20 | 122.0° | 119.2° |
| C13 | C8 | H5 | 119.0° | 120.4° |
| C1 | C2 | C10 | 118.5° | 118.4° |
| C2 | C1 | H8 | 120.8° | 120.4° |
| C1 | C2 | H9 | 120.8° | 120.7° |
| C2 | C10 | C18 | 123.0° | 120.4° |
| C10 | C2 | H9 | 120.7° | 120.9° |
| C10 | C18 | N24 | 112.7° | 109.5° |
| C10 | C18 | H11 | 108.7° | 109.5° |
| C10 | C18 | H12 | 108.6° | 109.5° |
| C18 | N24 | C15 | 122.2° | 120.0° |
| N24 | C18 | H11 | 108.6° | 109.5° |
| N24 | C18 | H12 | 108.7° | 109.4° |
| C18 | N24 | H15 | 106.2° | 120.0° |
| N24 | C15 | N20 | 116.8° | 119.2° |
| C15 | N24 | H15 | 106.2° | 120.0° |
| C15 | N20 | C8 | 116.8° | 121.0° |
| N20 | C8 | H5 | 119.0° | 120.4° |
| H6 | C17 | H7 | 109.5° | 110.5° |
| H11 | C18 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C16 | C17 | N22 | 179.5° | 179.9° |
| O25 | C16 | C17 | C9 | 177.8° | 180.0° |
| O25 | C16 | N22 | C11 | 177.6° | 180.0° |
| O25 | C16 | C17 | H6 | 63.3° | 61.4° |
| O25 | C16 | C17 | H7 | 58.9° | 61.3° |
| O25 | C16 | N22 | H13 | 2.4° | 0.1° |
| C16 | C17 | C9 | H6 | 118.9° | 118.6° |
| C16 | C17 | C9 | H7 | 118.9° | 118.8° |
| C17 | C16 | N22 | C11 | 1.9° | 0.0° |
| C16 | C17 | C9 | C11 | 0.9° | 0.0° |
| C16 | C17 | C9 | C5 | 178.8° | 179.8° |
| C16 | C17 | H6 | H7 | 123.2° | 122.7° |
| C17 | C16 | N22 | H13 | 178.1° | 180.0° |
| N22 | C16 | C17 | C9 | 1.7° | 0.1° |
| C16 | N22 | C11 | H13 | 180.0° | 180.0° |
| C16 | N22 | C11 | C9 | 1.3° | 0.0° |
| C16 | N22 | C11 | C3 | 178.8° | 180.0° |
| N22 | C16 | C17 | H6 | 117.2° | 118.7° |
| N22 | C16 | C17 | H7 | 120.6° | 118.7° |
| C17 | C9 | C11 | N22 | 0.1° | 0.0° |
| C17 | C9 | C11 | C5 | 179.8° | 179.8° |
| C17 | C9 | C11 | C3 | 180.0° | 180.0° |
| C17 | C9 | C5 | C12 | 179.8° | 180.0° |
| C17 | C9 | C5 | H2 | 0.2° | 0.0° |
| C9 | C17 | H6 | H7 | 123.1° | 122.6° |
| N22 | C11 | C9 | C3 | 179.9° | 180.0° |
| N22 | C11 | C9 | C5 | 179.9° | 179.8° |
| N22 | C11 | C3 | C4 | 179.7° | 179.9° |
| N22 | C11 | C3 | H10 | 0.3° | 0.0° |
| C11 | C9 | C5 | C12 | 0.5° | 0.2° |
| C9 | C11 | C3 | C4 | 0.1° | 0.1° |
| C11 | C9 | C5 | H2 | 179.5° | 179.8° |
| C11 | C9 | C17 | H6 | 118.0° | 118.7° |
| C11 | C9 | C17 | H7 | 119.9° | 118.8° |
| C9 | C11 | C3 | H10 | 179.9° | 180.0° |
| C9 | C11 | N22 | H13 | 178.7° | 180.0° |
| C5 | C9 | C11 | C3 | 0.2° | 0.2° |
| C9 | C5 | C12 | H2 | 180.0° | 180.0° |
| C9 | C5 | C12 | C4 | 0.5° | 0.1° |
| C9 | C5 | C12 | N23 | 179.1° | 179.9° |
| C5 | C9 | C17 | H6 | 62.3° | 61.1° |
| C5 | C9 | C17 | H7 | 59.9° | 61.4° |
| C11 | C3 | C4 | H10 | 180.0° | 179.9° |
| C11 | C3 | C4 | C12 | 0.1° | 0.4° |
| C11 | C3 | C4 | H1 | 179.9° | 180.0° |
| C3 | C11 | N22 | H13 | 1.2° | 0.0° |
| C5 | C12 | C4 | C3 | 0.2° | 0.4° |
| C5 | C12 | C4 | N23 | 178.7° | 180.0° |
| C5 | C12 | N23 | C14 | 119.8° | 144.5° |
| C5 | C12 | C4 | H1 | 179.8° | 180.0° |
| C5 | C12 | N23 | H14 | 60.1° | 35.5° |
| C3 | C4 | C12 | H1 | 180.0° | 179.6° |
| C3 | C4 | C12 | N23 | 178.9° | 179.6° |
| C4 | C12 | N23 | C14 | 58.8° | 35.5° |
| C4 | C12 | C5 | H2 | 179.5° | 179.9° |
| C12 | C4 | C3 | H10 | 179.8° | 179.7° |
| C4 | C12 | N23 | H14 | 121.2° | 144.5° |
| C12 | N23 | C14 | H14 | 180.0° | 180.0° |
| C12 | N23 | C14 | N21 | 0.7° | 5.8° |
| C12 | N23 | C14 | C13 | 179.4° | 174.3° |
| N23 | C12 | C4 | H1 | 1.1° | 0.0° |
| N23 | C12 | C5 | H2 | 0.9° | 0.1° |
| N23 | C14 | N21 | C13 | 179.9° | 179.9° |
| N23 | C14 | C13 | CL1 | 0.0° | 0.0° |
| N23 | C14 | N21 | C15 | 179.7° | 179.7° |
| N23 | C14 | C13 | C8 | 179.6° | 180.0° |
| N19 | C6 | C1 | H3 | 180.0° | 179.8° |
| C6 | N19 | C7 | C10 | 0.2° | 0.5° |
| N19 | C6 | C1 | C2 | 0.0° | 0.2° |
| C6 | N19 | C7 | H4 | 179.8° | 179.8° |
| N19 | C6 | C1 | H8 | 180.0° | 179.8° |
| C7 | N19 | C6 | C1 | 0.1° | 0.0° |
| N19 | C7 | C10 | H4 | 180.0° | 179.2° |
| N19 | C7 | C10 | C2 | 0.2° | 0.8° |
| N19 | C7 | C10 | C18 | 179.9° | 179.3° |
| C7 | N19 | C6 | H3 | 180.0° | 179.7° |
| C6 | C1 | C2 | H8 | 180.0° | 180.0° |
| C6 | C1 | C2 | C10 | 0.0° | 0.1° |
| C6 | C1 | C2 | H9 | 180.0° | 180.0° |
| N21 | C14 | C13 | CL1 | 179.9° | 180.0° |
| N21 | C14 | C13 | C8 | 0.3° | 0.0° |
| C14 | N21 | C15 | N24 | 179.7° | 179.9° |
| C14 | N21 | C15 | N20 | 0.3° | 0.5° |
| N21 | C14 | N23 | H14 | 179.3° | 174.2° |
| C14 | C13 | CL1 | C8 | 179.5° | 180.0° |
| C13 | C14 | N21 | C15 | 0.2° | 0.2° |
| C14 | C13 | C8 | N20 | 0.1° | 0.1° |
| C14 | C13 | C8 | H5 | 179.9° | 179.7° |
| C13 | C14 | N23 | H14 | 0.6° | 5.7° |
| C7 | C10 | C2 | C1 | 0.1° | 0.5° |
| C7 | C10 | C2 | C18 | 179.8° | 179.9° |
| C7 | C10 | C18 | N24 | 158.1° | 90.0° |
| C7 | C10 | C2 | H9 | 179.9° | 179.5° |
| C7 | C10 | C18 | H11 | 37.6° | 150.0° |
| C7 | C10 | C18 | H12 | 81.4° | 30.0° |
| CL1 | C13 | C8 | N20 | 179.5° | 179.9° |
| CL1 | C13 | C8 | H5 | 0.5° | 0.3° |
| N21 | C15 | N24 | C18 | 0.8° | 179.5° |
| N21 | C15 | N24 | N20 | 180.0° | 179.5° |
| N21 | C15 | N20 | C8 | 0.7° | 0.5° |
| N21 | C15 | N24 | H15 | 122.5° | 0.6° |
| C13 | C8 | N20 | C15 | 0.5° | 0.2° |
| C13 | C8 | N20 | H5 | 180.0° | 179.8° |
| C1 | C2 | C10 | H9 | 180.0° | 180.0° |
| C1 | C2 | C10 | C18 | 179.9° | 179.6° |
| C2 | C1 | C6 | H3 | 180.0° | 180.0° |
| C2 | C10 | C18 | N24 | 22.1° | 90.1° |
| C2 | C10 | C7 | H4 | 179.8° | 180.0° |
| C10 | C2 | C1 | H8 | 180.0° | 180.0° |
| C2 | C10 | C18 | H11 | 142.5° | 29.9° |
| C2 | C10 | C18 | H12 | 98.4° | 150.0° |
| C10 | C18 | N24 | H11 | 120.5° | 120.1° |
| C10 | C18 | N24 | H12 | 120.5° | 120.0° |
| C10 | C18 | N24 | C15 | 78.4° | 180.0° |
| C18 | C10 | C7 | H4 | 0.0° | 0.1° |
| C18 | C10 | C2 | H9 | 0.1° | 0.4° |
| C10 | C18 | H11 | H12 | 118.5° | 120.1° |
| C10 | C18 | N24 | H15 | 159.9° | 0.1° |
| C18 | N24 | C15 | H15 | 121.8° | 179.9° |
| C18 | N24 | C15 | N20 | 179.3° | 0.0° |
| N24 | C18 | H11 | H12 | 118.5° | 119.9° |
| N24 | C15 | N20 | C8 | 179.3° | 179.9° |
| C15 | N24 | C18 | H11 | 42.1° | 59.9° |
| C15 | N24 | C18 | H12 | 161.2° | 60.0° |
| C15 | N20 | C8 | H5 | 179.5° | 180.0° |
| N20 | C15 | N24 | H15 | 57.5° | 180.0° |
| H1 | C4 | C3 | H10 | 0.2° | 0.1° |
| H3 | C6 | C1 | H8 | 0.1° | 0.0° |
| H8 | C1 | C2 | H9 | 0.0° | 0.0° |
| H11 | C18 | N24 | H15 | 79.6° | 120.0° |
| H12 | C18 | N24 | H15 | 39.4° | 120.1° |
