37Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| N21 | C11 | sing | 1.32Å | 1.34Å | Aromatic |
| C10 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| N24 | C18 | sing | 1.39Å | 1.40Å | |
| N24 | C14 | sing | 1.40Å | 1.41Å | |
| C11 | C19 | doub | 1.39Å | 1.38Å | Aromatic |
| C18 | N23 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | N23 | sing | 1.33Å | 1.34Å | Aromatic |
| C19 | N26 | sing | 1.40Å | 1.40Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| N26 | C12 | sing | 1.36Å | 1.36Å | Aromatic |
| N26 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C12 | N22 | doub | 1.30Å | 1.31Å | Aromatic |
| C2 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C9 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| N22 | C16 | sing | 1.36Å | 1.37Å | Aromatic |
| C9 | C15 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | N25 | sing | 1.40Å | 1.40Å | |
| C15 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| N25 | C20 | sing | 1.35Å | 1.35Å | |
| C8 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| C20 | C13 | sing | 1.47Å | 1.50Å | |
| C20 | O27 | doub | 1.22Å | 1.22Å | |
| C13 | C1 | doub | 1.33Å | 1.50Å | |
| 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 | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C1 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.08Å | 1.08Å | |
| C3 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C11 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H16 | sing | 1.08Å | 1.08Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| N25 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | N21 | C11 | 114.5° | 120.1° |
| N21 | C10 | C18 | 123.9° | 120.1° |
| N21 | C10 | H6 | 118.1° | 120.0° |
| N21 | C11 | C19 | 122.3° | 120.1° |
| N21 | C11 | H15 | 118.9° | 119.9° |
| C10 | C18 | N24 | 116.5° | 120.0° |
| C10 | C18 | N23 | 120.9° | 119.9° |
| C18 | C10 | H6 | 118.0° | 120.0° |
| C18 | N24 | C14 | 126.0° | 120.0° |
| N24 | C18 | N23 | 122.6° | 120.0° |
| C18 | N24 | H17 | 117.0° | 120.0° |
| N24 | C14 | C5 | 117.9° | 120.1° |
| N24 | C14 | C6 | 123.1° | 120.1° |
| C14 | N24 | H17 | 117.0° | 120.0° |
| C11 | C19 | N23 | 122.5° | 120.0° |
| C11 | C19 | N26 | 118.0° | 120.0° |
| C19 | C11 | H15 | 118.8° | 120.0° |
| C18 | N23 | C19 | 115.8° | 119.8° |
| C14 | C5 | C3 | 120.2° | 119.9° |
| C5 | C14 | C6 | 119.0° | 119.9° |
| C14 | C5 | H2 | 119.9° | 120.1° |
| C5 | C3 | C2 | 119.7° | 120.1° |
| C3 | C5 | H2 | 119.9° | 120.0° |
| C5 | C3 | H13 | 120.2° | 120.0° |
| C14 | C6 | C4 | 121.6° | 120.0° |
| C14 | C6 | H3 | 119.2° | 120.0° |
| N23 | C19 | N26 | 119.5° | 120.0° |
| C19 | N26 | C12 | 124.8° | 126.4° |
| C19 | N26 | C17 | 128.2° | 126.4° |
| C3 | C2 | C4 | 121.2° | 120.2° |
| C3 | C2 | H12 | 119.4° | 119.9° |
| C2 | C3 | H13 | 120.2° | 120.0° |
| C6 | C4 | C2 | 118.4° | 120.0° |
| C6 | C4 | H1 | 120.8° | 120.0° |
| C4 | C6 | H3 | 119.2° | 120.0° |
| C12 | N26 | C17 | 106.9° | 107.2° |
| N26 | C12 | N22 | 112.0° | 110.1° |
| N26 | C12 | H16 | 124.0° | 125.0° |
| N26 | C17 | C9 | 131.3° | 134.1° |
| N26 | C17 | C16 | 105.4° | 106.0° |
| C12 | N22 | C16 | 105.3° | 109.7° |
| N22 | C12 | H16 | 124.0° | 125.0° |
| C2 | C4 | H1 | 120.8° | 120.0° |
| C4 | C2 | H12 | 119.4° | 119.9° |
| C9 | C17 | C16 | 123.3° | 120.0° |
| C17 | C9 | C15 | 115.2° | 119.6° |
| C17 | C9 | H14 | 122.4° | 120.2° |
| C17 | C16 | N22 | 110.4° | 107.0° |
| C17 | C16 | C8 | 121.1° | 119.6° |
| N22 | C16 | C8 | 128.5° | 133.4° |
| C9 | C15 | N25 | 113.0° | 119.8° |
| C9 | C15 | C7 | 122.6° | 120.3° |
| C15 | C9 | H14 | 122.4° | 120.2° |
| C16 | C8 | C7 | 115.9° | 120.0° |
| C16 | C8 | H5 | 122.0° | 120.0° |
| N25 | C15 | C7 | 124.4° | 119.9° |
| C15 | N25 | C20 | 126.0° | 120.0° |
| C15 | N25 | H18 | 117.0° | 120.0° |
| C15 | C7 | C8 | 122.0° | 120.6° |
| C15 | C7 | H4 | 119.0° | 119.7° |
| N25 | C20 | C13 | 108.9° | 120.0° |
| N25 | C20 | O27 | 127.3° | 120.0° |
| C20 | N25 | H18 | 117.0° | 120.0° |
| C8 | C7 | H4 | 119.0° | 119.7° |
| C7 | C8 | H5 | 122.0° | 120.0° |
| C13 | C20 | O27 | 123.9° | 120.0° |
| C20 | C13 | C1 | 106.2° | 120.0° |
| C20 | C13 | H7 | 126.9° | 119.9° |
| C1 | C13 | H7 | 126.9° | 120.1° |
| C13 | C1 | H9 | 120.0° | 120.0° |
| C13 | C1 | H10 | 120.0° | 120.0° |
| H9 | C1 | H10 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C10 | C18 | H6 | 180.0° | 179.7° |
| N21 | C10 | C18 | N24 | 179.6° | 179.8° |
| C10 | N21 | C11 | C19 | 0.8° | 0.4° |
| N21 | C10 | C18 | N23 | 0.6° | 0.2° |
| C10 | N21 | C11 | H15 | 179.2° | 179.8° |
| C11 | N21 | C10 | C18 | 0.4° | 0.0° |
| N21 | C11 | C19 | H15 | 180.0° | 179.3° |
| N21 | C11 | C19 | N23 | 1.5° | 0.7° |
| N21 | C11 | C19 | N26 | 179.9° | 179.3° |
| C11 | N21 | C10 | H6 | 179.6° | 179.7° |
| C10 | C18 | N24 | N23 | 179.0° | 180.0° |
| C10 | C18 | N24 | C14 | 162.7° | 174.5° |
| C10 | C18 | N23 | C19 | 1.1° | 0.0° |
| C10 | C18 | N24 | H17 | 17.3° | 5.5° |
| C18 | N24 | C14 | H17 | 180.0° | 180.0° |
| C18 | N24 | C14 | C5 | 166.0° | 32.7° |
| C18 | N24 | C14 | C6 | 15.5° | 147.5° |
| N24 | C18 | N23 | C19 | 180.0° | 180.0° |
| N24 | C18 | C10 | H6 | 0.5° | 0.0° |
| C14 | N24 | C18 | N23 | 18.3° | 5.5° |
| N24 | C14 | C5 | C6 | 178.5° | 179.8° |
| N24 | C14 | C5 | C3 | 179.5° | 180.0° |
| N24 | C14 | C6 | C4 | 179.9° | 179.7° |
| N24 | C14 | C5 | H2 | 0.5° | 0.2° |
| N24 | C14 | C6 | H3 | 0.1° | 0.2° |
| C11 | C19 | N23 | C18 | 1.5° | 0.4° |
| C11 | C19 | N23 | N26 | 178.3° | 180.0° |
| C11 | C19 | N26 | C12 | 22.2° | 45.6° |
| C11 | C19 | N26 | C17 | 162.4° | 134.1° |
| C18 | N23 | C19 | N26 | 179.9° | 179.5° |
| N23 | C18 | C10 | H6 | 179.5° | 180.0° |
| N23 | C18 | N24 | H17 | 161.7° | 174.5° |
| C14 | C5 | C3 | H2 | 180.0° | 179.8° |
| C14 | C5 | C3 | C2 | 0.2° | 0.2° |
| C5 | C14 | C6 | C4 | 1.5° | 0.1° |
| C5 | C14 | C6 | H3 | 178.5° | 180.0° |
| C14 | C5 | C3 | H13 | 179.8° | 180.0° |
| C5 | C14 | N24 | H17 | 14.0° | 147.3° |
| C3 | C5 | C14 | C6 | 0.9° | 0.2° |
| C5 | C3 | C2 | H13 | 180.0° | 179.7° |
| C5 | C3 | C2 | C4 | 0.9° | 0.0° |
| C5 | C3 | C2 | H12 | 179.1° | 180.0° |
| C14 | C6 | C4 | H3 | 180.0° | 179.9° |
| C14 | C6 | C4 | C2 | 0.8° | 0.3° |
| C14 | C6 | C4 | H1 | 179.2° | 180.0° |
| C6 | C14 | C5 | H2 | 179.1° | 180.0° |
| C6 | C14 | N24 | H17 | 164.5° | 32.5° |
| N23 | C19 | N26 | C12 | 159.4° | 134.4° |
| N23 | C19 | N26 | C17 | 16.0° | 45.9° |
| N23 | C19 | C11 | H15 | 178.5° | 180.0° |
| C19 | N26 | C12 | C17 | 176.2° | 179.8° |
| C19 | N26 | C12 | N22 | 176.5° | 180.0° |
| C19 | N26 | C17 | C9 | 2.3° | 0.2° |
| C19 | N26 | C17 | C16 | 175.9° | 180.0° |
| N26 | C19 | C11 | H15 | 0.1° | 0.0° |
| C19 | N26 | C12 | H16 | 3.5° | 0.1° |
| C3 | C2 | C4 | C6 | 0.4° | 0.3° |
| C3 | C2 | C4 | H12 | 180.0° | 180.0° |
| C3 | C2 | C4 | H1 | 179.6° | 179.9° |
| C2 | C3 | C5 | H2 | 179.8° | 180.0° |
| C6 | C4 | C2 | H1 | 180.0° | 179.7° |
| C6 | C4 | C2 | H12 | 179.6° | 179.7° |
| N26 | C12 | N22 | H16 | 180.0° | 179.9° |
| C12 | N26 | C17 | C9 | 178.4° | 179.9° |
| C12 | N26 | C17 | C16 | 0.1° | 0.3° |
| N26 | C12 | N22 | C16 | 0.5° | 0.1° |
| C17 | N26 | C12 | N22 | 0.3° | 0.3° |
| N26 | C17 | C9 | C16 | 177.9° | 179.8° |
| N26 | C17 | C16 | N22 | 0.5° | 0.2° |
| N26 | C17 | C9 | C15 | 179.1° | 180.0° |
| N26 | C17 | C16 | C8 | 179.3° | 179.9° |
| N26 | C17 | C9 | H14 | 0.9° | 0.2° |
| C17 | N26 | C12 | H16 | 179.7° | 179.9° |
| C12 | N22 | C16 | C17 | 0.6° | 0.1° |
| C12 | N22 | C16 | C8 | 179.1° | 179.7° |
| C2 | C4 | C6 | H3 | 179.2° | 179.7° |
| C4 | C2 | C3 | H13 | 179.1° | 179.7° |
| C9 | C17 | C16 | N22 | 178.9° | 180.0° |
| C17 | C9 | C15 | H14 | 180.0° | 179.8° |
| C9 | C17 | C16 | C8 | 0.9° | 0.3° |
| C17 | C9 | C15 | N25 | 179.8° | 180.0° |
| C17 | C9 | C15 | C7 | 0.5° | 0.1° |
| C17 | C16 | N22 | C8 | 179.7° | 179.7° |
| C16 | C17 | C9 | C15 | 1.2° | 0.2° |
| C17 | C16 | C8 | C7 | 0.1° | 0.0° |
| C17 | C16 | C8 | H5 | 179.8° | 180.0° |
| C16 | C17 | C9 | H14 | 178.8° | 180.0° |
| N22 | C16 | C8 | C7 | 179.9° | 179.6° |
| N22 | C16 | C8 | H5 | 0.1° | 0.4° |
| C16 | N22 | C12 | H16 | 179.4° | 180.0° |
| C9 | C15 | N25 | C7 | 179.2° | 180.0° |
| C9 | C15 | N25 | C20 | 177.5° | 144.2° |
| C9 | C15 | C7 | C8 | 0.5° | 0.3° |
| C9 | C15 | C7 | H4 | 179.5° | 180.0° |
| C9 | C15 | N25 | H18 | 2.5° | 35.9° |
| C16 | C8 | C7 | C15 | 0.8° | 0.3° |
| C16 | C8 | C7 | H5 | 180.0° | 180.0° |
| C16 | C8 | C7 | H4 | 179.2° | 180.0° |
| C15 | N25 | C20 | H18 | 180.0° | 180.0° |
| N25 | C15 | C7 | C8 | 178.7° | 179.7° |
| C15 | N25 | C20 | C13 | 167.9° | 175.1° |
| C15 | N25 | C20 | O27 | 12.5° | 4.8° |
| N25 | C15 | C7 | H4 | 1.3° | 0.0° |
| N25 | C15 | C9 | H14 | 0.2° | 0.2° |
| C7 | C15 | N25 | C20 | 1.7° | 35.9° |
| C15 | C7 | C8 | H4 | 180.0° | 179.7° |
| C15 | C7 | C8 | H5 | 179.2° | 179.7° |
| C7 | C15 | C9 | H14 | 179.5° | 179.7° |
| C7 | C15 | N25 | H18 | 178.3° | 144.1° |
| N25 | C20 | C13 | O27 | 179.6° | 180.0° |
| N25 | C20 | C13 | C1 | 124.5° | 180.0° |
| N25 | C20 | C13 | H7 | 55.5° | 0.0° |
| C20 | C13 | C1 | H7 | 180.0° | 180.0° |
| C20 | C13 | C1 | H9 | 180.0° | 180.0° |
| C20 | C13 | C1 | H10 | 0.0° | 0.0° |
| C13 | C20 | N25 | H18 | 12.1° | 4.9° |
| O27 | C20 | C13 | C1 | 55.9° | 0.0° |
| O27 | C20 | C13 | H7 | 124.1° | 180.0° |
| O27 | C20 | N25 | H18 | 167.5° | 175.1° |
| C13 | C1 | H9 | H10 | 180.0° | 179.9° |
| H1 | C4 | C6 | H3 | 0.8° | 0.1° |
| H1 | C4 | C2 | H12 | 0.4° | 0.0° |
| H2 | C5 | C3 | H13 | 0.3° | 0.2° |
| H4 | C7 | C8 | H5 | 0.8° | 0.0° |
| H7 | C13 | C1 | H9 | 0.0° | 0.1° |
| H7 | C13 | C1 | H10 | 180.0° | 180.0° |
| H12 | C2 | C3 | H13 | 0.9° | 0.3° |
