9OL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | C16 | sing | 1.47Å | 1.47Å | |
| N24 | C17 | sing | 1.47Å | 1.47Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| C17 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C18 | sing | 1.53Å | 1.51Å | |
| C15 | C18 | sing | 1.53Å | 1.51Å | |
| C18 | C12 | sing | 1.51Å | 1.48Å | |
| C12 | C6 | sing | 1.48Å | 1.46Å | |
| C12 | C11 | doub | 1.33Å | 1.34Å | |
| C3 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C2 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C7 | sing | 1.51Å | 1.50Å | |
| C13 | C19 | sing | 1.53Å | 1.53Å | |
| C7 | C5 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.53Å | 1.51Å | |
| C5 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.43Å | |
| C19 | C8 | sing | 1.50Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.51Å | |
| C9 | N22 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| N22 | C4 | sing | 1.32Å | 1.33Å | Aromatic |
| C8 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | N23 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N23 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N25 | sing | 1.39Å | 1.39Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C1 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 1.01Å | 1.00Å | |
| N25 | H26 | sing | 0.97Å | 1.00Å | |
| N25 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | N24 | C17 | 113.3° | 111.2° |
| N24 | C16 | C14 | 113.7° | 109.5° |
| N24 | C16 | H13 | 108.4° | 109.5° |
| N24 | C16 | H14 | 108.4° | 109.4° |
| C16 | N24 | H24 | 108.5° | 111.0° |
| N24 | C17 | C15 | 111.7° | 109.5° |
| N24 | C17 | H15 | 108.9° | 109.4° |
| N24 | C17 | H16 | 108.9° | 109.5° |
| C17 | N24 | H24 | 108.5° | 111.0° |
| C16 | C14 | C18 | 109.1° | 109.3° |
| C16 | C14 | H9 | 109.6° | 109.5° |
| C16 | C14 | H10 | 109.6° | 109.5° |
| C14 | C16 | H13 | 108.4° | 109.5° |
| C14 | C16 | H14 | 108.4° | 109.5° |
| C17 | C15 | C18 | 109.4° | 109.4° |
| C17 | C15 | H11 | 109.5° | 109.5° |
| C17 | C15 | H12 | 109.5° | 109.5° |
| C15 | C17 | H15 | 108.9° | 109.5° |
| C15 | C17 | H16 | 108.9° | 109.4° |
| C14 | C18 | C15 | 114.0° | 109.1° |
| C14 | C18 | C12 | 119.7° | 109.5° |
| C18 | C14 | H9 | 109.6° | 109.5° |
| C18 | C14 | H10 | 109.5° | 109.5° |
| C14 | C18 | H17 | 101.3° | 109.5° |
| C15 | C18 | C12 | 114.8° | 109.6° |
| C18 | C15 | H11 | 109.5° | 109.5° |
| C18 | C15 | H12 | 109.5° | 109.5° |
| C15 | C18 | H17 | 101.4° | 109.5° |
| C18 | C12 | C6 | 125.8° | 120.0° |
| C18 | C12 | C11 | 118.4° | 120.0° |
| C12 | C18 | H17 | 101.6° | 109.6° |
| C6 | C12 | C11 | 115.9° | 120.0° |
| C12 | C6 | C3 | 122.7° | 120.0° |
| C12 | C6 | C2 | 117.9° | 120.0° |
| C12 | C11 | H5 | 120.0° | 120.0° |
| C12 | C11 | H6 | 120.0° | 120.0° |
| C6 | C3 | C7 | 120.5° | 120.0° |
| C3 | C6 | C2 | 119.3° | 120.0° |
| C6 | C3 | H2 | 119.8° | 120.0° |
| C3 | C7 | C13 | 121.4° | 120.2° |
| C3 | C7 | C5 | 119.3° | 119.8° |
| C7 | C3 | H2 | 119.8° | 120.0° |
| C6 | C2 | C1 | 120.5° | 120.0° |
| C6 | C2 | H3 | 119.8° | 120.0° |
| C7 | C13 | C19 | 114.6° | 110.6° |
| C13 | C7 | C5 | 119.3° | 120.0° |
| C7 | C13 | H7 | 108.2° | 109.3° |
| C7 | C13 | H8 | 108.2° | 109.2° |
| C13 | C19 | C21 | 106.3° | 109.2° |
| C13 | C19 | C8 | 111.2° | 110.7° |
| C13 | C19 | C20 | 108.3° | 109.2° |
| C19 | C13 | H7 | 108.2° | 109.3° |
| C19 | C13 | H8 | 108.2° | 109.2° |
| C7 | C5 | C1 | 120.3° | 120.2° |
| C7 | C5 | C9 | 120.1° | 119.1° |
| C2 | C1 | C5 | 120.1° | 119.9° |
| C1 | C2 | H3 | 119.7° | 120.1° |
| C2 | C1 | H4 | 119.9° | 120.1° |
| C21 | C19 | C8 | 111.8° | 109.2° |
| C21 | C19 | C20 | 106.9° | 109.2° |
| C19 | C21 | H21 | 109.5° | 109.5° |
| C19 | C21 | H22 | 109.5° | 109.5° |
| C19 | C21 | H23 | 109.4° | 109.5° |
| C1 | C5 | C9 | 119.5° | 120.7° |
| C5 | C1 | H4 | 120.0° | 120.0° |
| C5 | C9 | N22 | 113.7° | 121.6° |
| C5 | C9 | C8 | 121.8° | 119.1° |
| C8 | C19 | C20 | 112.0° | 109.3° |
| C19 | C8 | C9 | 119.9° | 120.5° |
| C19 | C8 | C10 | 125.7° | 121.1° |
| C19 | C20 | H18 | 109.5° | 109.5° |
| C19 | C20 | H19 | 109.4° | 109.5° |
| C19 | C20 | H20 | 109.4° | 109.5° |
| N22 | C9 | C8 | 124.5° | 119.3° |
| C9 | N22 | C4 | 115.3° | 120.5° |
| C9 | C8 | C10 | 114.4° | 118.4° |
| N22 | C4 | N23 | 126.4° | 122.1° |
| N22 | C4 | H1 | 116.8° | 119.0° |
| C8 | C10 | N23 | 122.7° | 118.6° |
| C8 | C10 | N25 | 122.3° | 120.7° |
| C4 | N23 | C10 | 116.8° | 121.1° |
| N23 | C4 | H1 | 116.8° | 119.0° |
| N23 | C10 | N25 | 115.0° | 120.7° |
| C10 | N25 | H26 | 109.5° | 120.0° |
| C10 | N25 | H27 | 109.5° | 120.0° |
| H5 | C11 | H6 | 120.0° | 120.0° |
| H7 | C13 | H8 | 109.4° | 109.2° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C17 | H16 | 109.4° | 109.4° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H18 | C20 | H20 | 109.5° | 109.4° |
| H19 | C20 | H20 | 109.5° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H21 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H26 | N25 | H27 | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | N24 | C17 | H24 | 120.6° | 124.1° |
| N24 | C16 | C14 | H13 | 120.6° | 120.0° |
| N24 | C16 | C14 | H14 | 120.6° | 120.0° |
| C16 | N24 | C17 | C15 | 55.3° | 61.7° |
| N24 | C16 | C14 | C18 | 50.8° | 59.2° |
| N24 | C16 | C14 | H9 | 69.2° | 60.8° |
| N24 | C16 | C14 | H10 | 170.7° | 179.2° |
| N24 | C16 | H13 | H14 | 118.1° | 119.9° |
| C16 | N24 | C17 | H15 | 65.1° | 178.2° |
| C16 | N24 | C17 | H16 | 175.6° | 58.3° |
| C17 | N24 | C16 | C14 | 54.0° | 61.7° |
| N24 | C17 | C15 | H15 | 120.4° | 120.0° |
| N24 | C17 | C15 | H16 | 120.3° | 120.0° |
| N24 | C17 | C15 | C18 | 54.5° | 59.2° |
| N24 | C17 | C15 | H11 | 174.5° | 179.1° |
| N24 | C17 | C15 | H12 | 65.5° | 60.9° |
| C17 | N24 | C16 | H13 | 174.6° | 58.3° |
| C17 | N24 | C16 | H14 | 66.6° | 178.3° |
| N24 | C17 | H15 | H16 | 119.0° | 120.0° |
| C16 | C14 | C18 | H9 | 119.9° | 120.0° |
| C16 | C14 | C18 | H10 | 119.9° | 120.0° |
| C16 | C14 | C18 | C15 | 52.3° | 57.6° |
| C16 | C14 | C18 | C12 | 166.2° | 177.6° |
| C16 | C14 | H9 | H10 | 120.2° | 120.1° |
| C14 | C16 | H13 | H14 | 118.1° | 120.0° |
| C16 | C14 | C18 | H17 | 55.7° | 62.2° |
| C14 | C16 | N24 | H24 | 174.5° | 174.2° |
| C17 | C15 | C18 | C14 | 54.8° | 57.6° |
| C17 | C15 | C18 | H11 | 120.0° | 120.0° |
| C17 | C15 | C18 | H12 | 120.0° | 120.0° |
| C17 | C15 | C18 | C12 | 161.8° | 177.5° |
| C17 | C15 | H11 | H12 | 120.0° | 120.0° |
| C15 | C17 | H15 | H16 | 119.0° | 120.0° |
| C17 | C15 | C18 | H17 | 53.2° | 62.2° |
| C15 | C17 | N24 | H24 | 175.8° | 174.2° |
| C14 | C18 | C15 | C12 | 143.4° | 119.9° |
| C14 | C18 | C15 | H17 | 108.0° | 119.8° |
| C14 | C18 | C12 | H17 | 110.4° | 120.2° |
| C14 | C18 | C12 | C6 | 18.2° | 60.0° |
| C14 | C18 | C12 | C11 | 160.7° | 120.0° |
| C18 | C14 | H9 | H10 | 120.1° | 120.1° |
| C14 | C18 | C15 | H11 | 174.8° | 177.6° |
| C14 | C18 | C15 | H12 | 65.2° | 62.4° |
| C18 | C14 | C16 | H13 | 171.4° | 60.8° |
| C18 | C14 | C16 | H14 | 69.8° | 179.2° |
| C15 | C18 | C12 | H17 | 108.4° | 120.2° |
| C15 | C18 | C12 | C6 | 122.9° | 59.6° |
| C15 | C18 | C12 | C11 | 58.2° | 120.3° |
| C15 | C18 | C14 | H9 | 67.6° | 62.3° |
| C15 | C18 | C14 | H10 | 172.3° | 177.6° |
| C18 | C15 | H11 | H12 | 120.0° | 120.1° |
| C18 | C15 | C17 | H15 | 65.8° | 179.2° |
| C18 | C15 | C17 | H16 | 174.9° | 60.8° |
| C18 | C12 | C6 | C11 | 178.9° | 180.0° |
| C18 | C12 | C6 | C3 | 77.3° | 115.0° |
| C18 | C12 | C6 | C2 | 104.1° | 65.0° |
| C18 | C12 | C11 | H5 | 179.0° | 0.0° |
| C18 | C12 | C11 | H6 | 1.0° | 180.0° |
| C12 | C18 | C14 | H9 | 73.8° | 57.6° |
| C12 | C18 | C14 | H10 | 46.3° | 62.4° |
| C12 | C18 | C15 | H11 | 41.8° | 62.5° |
| C12 | C18 | C15 | H12 | 78.2° | 57.5° |
| C12 | C6 | C3 | C2 | 178.6° | 180.0° |
| C12 | C6 | C3 | C7 | 178.9° | 180.0° |
| C12 | C6 | C2 | C1 | 178.8° | 179.6° |
| C12 | C6 | C3 | H2 | 1.1° | 0.0° |
| C12 | C6 | C2 | H3 | 1.2° | 0.4° |
| C6 | C12 | C11 | H5 | 0.0° | 179.9° |
| C6 | C12 | C11 | H6 | 180.0° | 0.0° |
| C6 | C12 | C18 | H17 | 128.6° | 179.8° |
| C11 | C12 | C6 | C3 | 103.7° | 65.0° |
| C11 | C12 | C6 | C2 | 74.8° | 115.0° |
| C12 | C11 | H5 | H6 | 180.0° | 180.0° |
| C11 | C12 | C18 | H17 | 50.3° | 0.1° |
| C6 | C3 | C7 | H2 | 180.0° | 180.0° |
| C6 | C3 | C7 | C13 | 179.6° | 178.0° |
| C6 | C3 | C7 | C5 | 0.2° | 0.9° |
| C3 | C6 | C2 | C1 | 0.1° | 0.4° |
| C3 | C6 | C2 | H3 | 179.8° | 179.6° |
| C7 | C3 | C6 | C2 | 0.3° | 0.0° |
| C3 | C7 | C13 | C5 | 179.8° | 178.8° |
| C3 | C7 | C13 | C19 | 148.8° | 144.3° |
| C3 | C7 | C5 | C1 | 0.1° | 1.3° |
| C3 | C7 | C5 | C9 | 177.7° | 177.6° |
| C3 | C7 | C13 | H7 | 28.1° | 95.4° |
| C3 | C7 | C13 | H8 | 90.4° | 24.1° |
| C6 | C2 | C1 | H3 | 180.0° | 180.0° |
| C6 | C2 | C1 | C5 | 0.1° | 0.1° |
| C2 | C6 | C3 | H2 | 179.7° | 180.0° |
| C6 | C2 | C1 | H4 | 179.9° | 180.0° |
| C7 | C13 | C19 | H7 | 120.7° | 120.3° |
| C7 | C13 | C19 | H8 | 120.8° | 120.3° |
| C7 | C13 | C19 | C21 | 162.6° | 69.8° |
| C13 | C7 | C5 | C1 | 179.9° | 177.5° |
| C13 | C7 | C5 | C9 | 2.4° | 3.6° |
| C7 | C13 | C19 | C8 | 40.7° | 50.6° |
| C7 | C13 | C19 | C20 | 82.8° | 170.9° |
| C13 | C7 | C3 | H2 | 0.4° | 2.0° |
| C7 | C13 | H7 | H8 | 117.7° | 119.4° |
| C19 | C13 | C7 | C5 | 31.4° | 36.8° |
| C13 | C19 | C21 | C8 | 121.5° | 121.2° |
| C13 | C19 | C21 | C20 | 115.5° | 119.3° |
| C13 | C19 | C8 | C20 | 121.3° | 120.3° |
| C13 | C19 | C8 | C9 | 24.9° | 35.4° |
| C13 | C19 | C8 | C10 | 155.7° | 145.8° |
| C19 | C13 | H7 | H8 | 117.7° | 119.4° |
| C13 | C19 | C20 | H18 | 180.0° | 36.1° |
| C13 | C19 | C20 | H19 | 60.0° | 156.1° |
| C13 | C19 | C20 | H20 | 60.0° | 83.9° |
| C13 | C19 | C21 | H21 | 180.0° | 60.1° |
| C13 | C19 | C21 | H22 | 60.0° | 180.0° |
| C13 | C19 | C21 | H23 | 60.0° | 60.0° |
| C7 | C5 | C1 | C2 | 0.2° | 1.0° |
| C7 | C5 | C1 | C9 | 177.7° | 178.9° |
| C7 | C5 | C9 | N22 | 167.3° | 166.1° |
| C7 | C5 | C9 | C8 | 15.8° | 15.4° |
| C5 | C7 | C3 | H2 | 179.8° | 179.1° |
| C7 | C5 | C1 | H4 | 179.8° | 179.1° |
| C5 | C7 | C13 | H7 | 152.1° | 83.5° |
| C5 | C7 | C13 | H8 | 89.4° | 157.1° |
| C2 | C1 | C5 | H4 | 180.0° | 179.9° |
| C2 | C1 | C5 | C9 | 177.9° | 178.0° |
| C21 | C19 | C8 | C20 | 120.0° | 119.4° |
| C21 | C19 | C8 | C9 | 143.5° | 84.9° |
| C21 | C19 | C8 | C10 | 37.1° | 93.9° |
| C21 | C19 | C13 | H7 | 76.6° | 169.9° |
| C21 | C19 | C13 | H8 | 41.9° | 50.5° |
| C21 | C19 | C20 | H18 | 65.8° | 83.3° |
| C21 | C19 | C20 | H19 | 174.2° | 36.8° |
| C21 | C19 | C20 | H20 | 54.1° | 156.7° |
| C19 | C21 | H21 | H22 | 120.0° | 120.0° |
| C19 | C21 | H21 | H23 | 120.0° | 120.1° |
| C19 | C21 | H22 | H23 | 120.0° | 120.0° |
| C1 | C5 | C9 | N22 | 15.0° | 15.0° |
| C1 | C5 | C9 | C8 | 161.9° | 163.6° |
| C5 | C1 | C2 | H3 | 179.9° | 179.9° |
| C5 | C9 | C8 | C19 | 3.1° | 2.0° |
| C5 | C9 | N22 | C8 | 176.7° | 178.6° |
| C5 | C9 | N22 | C4 | 177.8° | 179.4° |
| C5 | C9 | C8 | C10 | 176.4° | 179.1° |
| C9 | C5 | C1 | H4 | 2.1° | 2.0° |
| C19 | C8 | C9 | N22 | 179.6° | 176.6° |
| C19 | C8 | C9 | C10 | 179.5° | 178.9° |
| C19 | C8 | C10 | N23 | 179.8° | 177.7° |
| C19 | C8 | C10 | N25 | 0.6° | 2.3° |
| C8 | C19 | C13 | H7 | 161.5° | 69.8° |
| C8 | C19 | C13 | H8 | 80.1° | 170.8° |
| C8 | C19 | C20 | H18 | 57.0° | 157.3° |
| C8 | C19 | C20 | H19 | 63.0° | 82.6° |
| C8 | C19 | C20 | H20 | 177.0° | 37.3° |
| C8 | C19 | C21 | H21 | 58.5° | 61.1° |
| C8 | C19 | C21 | H22 | 178.5° | 58.8° |
| C8 | C19 | C21 | H23 | 61.5° | 178.8° |
| C20 | C19 | C8 | C9 | 96.5° | 155.7° |
| C20 | C19 | C8 | C10 | 83.0° | 25.4° |
| C20 | C19 | C13 | H7 | 38.0° | 50.6° |
| C20 | C19 | C13 | H8 | 156.4° | 68.8° |
| C19 | C20 | H18 | H19 | 120.0° | 120.1° |
| C19 | C20 | H18 | H20 | 120.0° | 120.0° |
| C19 | C20 | H19 | H20 | 120.0° | 120.0° |
| C20 | C19 | C21 | H21 | 64.5° | 179.4° |
| C20 | C19 | C21 | H22 | 55.5° | 60.7° |
| C20 | C19 | C21 | H23 | 175.5° | 59.4° |
| N22 | C9 | C8 | C10 | 0.1° | 2.3° |
| C9 | N22 | C4 | N23 | 1.7° | 0.5° |
| C9 | N22 | C4 | H1 | 178.3° | 179.5° |
| C8 | C9 | N22 | C4 | 1.0° | 2.0° |
| C9 | C8 | C10 | N23 | 0.7° | 1.2° |
| C9 | C8 | C10 | N25 | 178.9° | 178.8° |
| N22 | C4 | N23 | H1 | 180.0° | 180.0° |
| N22 | C4 | N23 | C10 | 1.1° | 0.7° |
| C8 | C10 | N23 | C4 | 0.2° | 0.3° |
| C8 | C10 | N23 | N25 | 179.7° | 180.0° |
| C8 | C10 | N25 | H26 | 179.7° | 50.8° |
| C8 | C10 | N25 | H27 | 59.7° | 129.1° |
| C4 | N23 | C10 | N25 | 179.5° | 179.7° |
| C10 | N23 | C4 | H1 | 178.9° | 179.3° |
| N23 | C10 | N25 | H26 | 0.0° | 129.1° |
| N23 | C10 | N25 | H27 | 120.0° | 50.9° |
| C10 | N25 | H26 | H27 | 120.0° | 180.0° |
| H3 | C2 | C1 | H4 | 0.1° | 0.0° |
| H9 | C14 | C16 | H13 | 51.5° | 179.2° |
| H9 | C14 | C16 | H14 | 170.2° | 59.2° |
| H9 | C14 | C18 | H17 | 175.6° | 177.8° |
| H10 | C14 | C16 | H13 | 68.7° | 59.2° |
| H10 | C14 | C16 | H14 | 50.1° | 60.9° |
| H10 | C14 | C18 | H17 | 64.3° | 57.8° |
| H11 | C15 | C17 | H15 | 54.2° | 60.8° |
| H11 | C15 | C17 | H16 | 65.1° | 59.2° |
| H11 | C15 | C18 | H17 | 66.8° | 57.8° |
| H12 | C15 | C17 | H15 | 174.2° | 59.2° |
| H12 | C15 | C17 | H16 | 54.9° | 179.2° |
| H12 | C15 | C18 | H17 | 173.2° | 177.8° |
| H13 | C16 | N24 | H24 | 64.8° | 65.8° |
| H14 | C16 | N24 | H24 | 53.9° | 54.2° |
| H15 | C17 | N24 | H24 | 55.5° | 54.1° |
| H16 | C17 | N24 | H24 | 63.8° | 65.8° |
| H18 | C20 | H19 | H20 | 120.0° | 120.0° |
| H21 | C21 | H22 | H23 | 120.0° | 120.0° |
