U9L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C26 | N21 | sing | 1.47Å | 1.47Å | |
| C25 | N24 | sing | 1.47Å | 1.47Å | |
| C10 | C09 | doub | 1.34Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.46Å | 1.43Å | Aromatic |
| C09 | N08 | sing | 1.37Å | 1.40Å | Aromatic |
| N24 | C23 | sing | 1.47Å | 1.47Å | |
| N21 | C20 | sing | 1.38Å | 1.47Å | |
| N21 | C22 | sing | 1.47Å | 1.48Å | |
| C11 | C20 | doub | 1.41Å | 1.45Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | N19 | sing | 1.31Å | 1.32Å | Aromatic |
| N08 | C07 | sing | 1.47Å | 1.48Å | |
| N08 | C12 | sing | 1.36Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | doub | 1.46Å | 1.43Å | Aromatic |
| N19 | C18 | doub | 1.34Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C13 | C18 | sing | 1.42Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.36Å | Aromatic |
| C17 | C16 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C06 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | CL01 | sing | 1.74Å | 1.72Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C23 | H3 | sing | 1.09Å | 1.10Å | |
| C23 | H4 | sing | 1.09Å | 1.10Å | |
| C25 | H5 | sing | 1.09Å | 1.10Å | |
| C25 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C03 | H15 | sing | 1.08Å | 1.08Å | |
| C04 | H16 | sing | 1.08Å | 1.08Å | |
| C05 | H17 | sing | 1.08Å | 1.08Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.08Å | 1.08Å | |
| N24 | H21 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | N21 | 115.1° | 109.4° |
| C26 | C25 | N24 | 109.8° | 109.3° |
| C26 | C25 | H5 | 109.4° | 109.5° |
| C26 | C25 | H6 | 109.4° | 109.5° |
| C25 | C26 | H7 | 108.1° | 109.4° |
| C25 | C26 | H8 | 108.0° | 109.5° |
| C26 | N21 | C20 | 126.6° | 111.0° |
| C26 | N21 | C22 | 111.1° | 110.9° |
| N21 | C26 | H7 | 108.0° | 109.5° |
| N21 | C26 | H8 | 108.0° | 109.5° |
| C25 | N24 | C23 | 112.1° | 110.9° |
| N24 | C25 | H5 | 109.4° | 109.5° |
| N24 | C25 | H6 | 109.4° | 109.4° |
| C25 | N24 | H21 | 108.8° | 111.0° |
| C09 | C10 | C11 | 108.1° | 106.9° |
| C10 | C09 | N08 | 109.9° | 109.6° |
| C09 | C10 | H10 | 126.0° | 126.5° |
| C10 | C09 | H20 | 125.1° | 125.2° |
| C10 | C11 | C20 | 133.2° | 134.6° |
| C10 | C11 | C12 | 106.6° | 106.0° |
| C11 | C10 | H10 | 125.9° | 126.6° |
| C09 | N08 | C07 | 120.8° | 125.0° |
| C09 | N08 | C12 | 107.0° | 110.0° |
| N08 | C09 | H20 | 125.1° | 125.2° |
| N24 | C23 | C22 | 109.7° | 109.3° |
| N24 | C23 | H3 | 109.4° | 109.5° |
| N24 | C23 | H4 | 109.4° | 109.5° |
| C23 | N24 | H21 | 108.8° | 111.0° |
| C20 | N21 | C22 | 122.3° | 111.0° |
| N21 | C20 | C11 | 119.4° | 119.1° |
| N21 | C20 | N19 | 120.2° | 119.2° |
| N21 | C22 | C23 | 115.7° | 109.4° |
| N21 | C22 | H1 | 107.9° | 109.5° |
| N21 | C22 | H2 | 107.9° | 109.5° |
| C20 | C11 | C12 | 120.2° | 119.4° |
| C11 | C20 | N19 | 120.4° | 121.7° |
| C11 | C12 | N08 | 108.5° | 107.5° |
| C11 | C12 | C13 | 119.2° | 117.5° |
| C20 | N19 | C18 | 119.1° | 122.6° |
| C07 | N08 | C12 | 132.2° | 125.0° |
| N08 | C07 | C06 | 115.6° | 109.5° |
| N08 | C07 | H18 | 107.9° | 109.5° |
| N08 | C07 | H19 | 107.9° | 109.5° |
| N08 | C12 | C13 | 132.3° | 135.0° |
| C07 | C06 | C05 | 119.7° | 120.0° |
| C07 | C06 | C27 | 121.1° | 120.0° |
| C06 | C07 | H18 | 107.9° | 109.5° |
| C06 | C07 | H19 | 107.9° | 109.5° |
| C12 | C13 | C18 | 116.0° | 118.5° |
| C12 | C13 | C14 | 125.0° | 121.7° |
| N19 | C18 | C13 | 125.0° | 120.3° |
| N19 | C18 | C17 | 116.0° | 120.7° |
| C23 | C22 | H1 | 107.9° | 109.5° |
| C23 | C22 | H2 | 107.9° | 109.5° |
| C22 | C23 | H3 | 109.4° | 109.5° |
| C22 | C23 | H4 | 109.4° | 109.5° |
| C18 | C13 | C14 | 119.0° | 119.8° |
| C13 | C18 | C17 | 118.9° | 118.9° |
| C13 | C14 | C15 | 121.1° | 119.6° |
| C13 | C14 | H11 | 119.4° | 120.1° |
| C18 | C17 | C16 | 120.5° | 119.8° |
| C18 | C17 | H14 | 119.7° | 120.1° |
| C14 | C15 | C16 | 120.0° | 120.7° |
| C15 | C14 | H11 | 119.4° | 120.2° |
| C14 | C15 | H12 | 120.0° | 119.6° |
| C17 | C16 | C15 | 120.4° | 121.0° |
| C17 | C16 | H13 | 119.8° | 119.5° |
| C16 | C17 | H14 | 119.8° | 120.1° |
| C16 | C15 | H12 | 120.0° | 119.6° |
| C15 | C16 | H13 | 119.8° | 119.5° |
| C05 | C06 | C27 | 119.2° | 120.1° |
| C06 | C05 | C04 | 120.9° | 120.0° |
| C06 | C05 | H17 | 119.6° | 120.0° |
| C06 | C27 | C02 | 118.7° | 120.0° |
| C06 | C27 | H9 | 120.6° | 120.0° |
| C05 | C04 | C03 | 120.6° | 120.1° |
| C05 | C04 | H16 | 119.7° | 119.9° |
| C04 | C05 | H17 | 119.5° | 120.0° |
| C27 | C02 | C03 | 122.9° | 120.0° |
| C27 | C02 | CL01 | 119.7° | 120.0° |
| C02 | C27 | H9 | 120.7° | 120.0° |
| C04 | C03 | C02 | 117.7° | 120.0° |
| C04 | C03 | H15 | 121.1° | 120.0° |
| C03 | C04 | H16 | 119.7° | 120.0° |
| C03 | C02 | CL01 | 117.4° | 120.0° |
| C02 | C03 | H15 | 121.1° | 120.0° |
| H1 | C22 | H2 | 109.5° | 109.5° |
| H3 | C23 | H4 | 109.5° | 109.5° |
| H5 | C25 | H6 | 109.4° | 109.5° |
| H7 | C26 | H8 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | N21 | H7 | 120.8° | 119.9° |
| C25 | C26 | N21 | H8 | 120.8° | 120.0° |
| C26 | C25 | N24 | H5 | 120.1° | 120.0° |
| C26 | C25 | N24 | H6 | 120.1° | 120.0° |
| C26 | C25 | N24 | C23 | 57.5° | 59.3° |
| C25 | C26 | N21 | C20 | 131.2° | 176.8° |
| C25 | C26 | N21 | C22 | 47.5° | 59.4° |
| C26 | C25 | H5 | H6 | 119.8° | 120.1° |
| C25 | C26 | H7 | H8 | 117.5° | 120.1° |
| C26 | C25 | N24 | H21 | 177.8° | 64.6° |
| N21 | C26 | C25 | N24 | 53.3° | 58.4° |
| C26 | N21 | C20 | C22 | 178.5° | 123.7° |
| C26 | N21 | C20 | C11 | 44.3° | 179.7° |
| C26 | N21 | C20 | N19 | 136.2° | 0.0° |
| C26 | N21 | C22 | C23 | 46.8° | 59.4° |
| C26 | N21 | C22 | H1 | 74.1° | 60.6° |
| C26 | N21 | C22 | H2 | 167.8° | 179.3° |
| N21 | C26 | C25 | H5 | 66.8° | 178.4° |
| N21 | C26 | C25 | H6 | 173.4° | 61.5° |
| N21 | C26 | H7 | H8 | 117.4° | 120.1° |
| C25 | N24 | C23 | H21 | 120.4° | 123.9° |
| C25 | N24 | C23 | C22 | 56.5° | 59.3° |
| C25 | N24 | C23 | H3 | 63.5° | 60.6° |
| C25 | N24 | C23 | H4 | 176.5° | 179.3° |
| N24 | C25 | H5 | H6 | 119.9° | 120.0° |
| N24 | C25 | C26 | H7 | 67.5° | 178.3° |
| N24 | C25 | C26 | H8 | 174.1° | 61.6° |
| C09 | C10 | C11 | H10 | 180.0° | 179.9° |
| C10 | C09 | N08 | H20 | 180.0° | 180.0° |
| C09 | C10 | C11 | C20 | 179.9° | 180.0° |
| C09 | C10 | C11 | C12 | 0.0° | 0.0° |
| C10 | C09 | N08 | C07 | 180.0° | 180.0° |
| C10 | C09 | N08 | C12 | 0.1° | 0.1° |
| C11 | C10 | C09 | N08 | 0.0° | 0.0° |
| C10 | C11 | C20 | N21 | 0.3° | 0.3° |
| C10 | C11 | C20 | C12 | 179.9° | 180.0° |
| C10 | C11 | C20 | N19 | 179.8° | 180.0° |
| C10 | C11 | C12 | N08 | 0.1° | 0.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C10 | C09 | H20 | 180.0° | 179.9° |
| C09 | N08 | C12 | C11 | 0.1° | 0.0° |
| C09 | N08 | C07 | C12 | 179.9° | 179.9° |
| C09 | N08 | C07 | C06 | 111.1° | 5.4° |
| C09 | N08 | C12 | C13 | 179.9° | 180.0° |
| N08 | C09 | C10 | H10 | 179.9° | 179.9° |
| C09 | N08 | C07 | H18 | 128.0° | 114.6° |
| C09 | N08 | C07 | H19 | 9.7° | 125.4° |
| N24 | C23 | C22 | N21 | 51.6° | 58.4° |
| N24 | C23 | C22 | H3 | 120.0° | 119.9° |
| N24 | C23 | C22 | H4 | 120.0° | 120.0° |
| N24 | C23 | C22 | H1 | 69.3° | 61.6° |
| N24 | C23 | C22 | H2 | 172.5° | 178.3° |
| N24 | C23 | H3 | H4 | 119.9° | 120.1° |
| C23 | N24 | C25 | H5 | 62.6° | 179.3° |
| C23 | N24 | C25 | H6 | 177.5° | 60.6° |
| N21 | C20 | C11 | N19 | 179.5° | 179.7° |
| N21 | C20 | C11 | C12 | 179.8° | 179.7° |
| N21 | C20 | N19 | C18 | 179.8° | 179.6° |
| C20 | N21 | C22 | C23 | 131.9° | 176.8° |
| C20 | N21 | C22 | H1 | 107.2° | 63.2° |
| C20 | N21 | C22 | H2 | 11.0° | 56.9° |
| C20 | N21 | C26 | H7 | 108.0° | 56.9° |
| C20 | N21 | C26 | H8 | 10.4° | 63.2° |
| C22 | N21 | C20 | C11 | 134.2° | 56.5° |
| C22 | N21 | C20 | N19 | 45.3° | 123.8° |
| N21 | C22 | C23 | H1 | 120.9° | 120.0° |
| N21 | C22 | C23 | H2 | 120.9° | 119.9° |
| N21 | C22 | H1 | H2 | 117.1° | 120.0° |
| N21 | C22 | C23 | H3 | 68.5° | 61.5° |
| N21 | C22 | C23 | H4 | 171.6° | 178.4° |
| C22 | N21 | C26 | H7 | 73.4° | 179.3° |
| C22 | N21 | C26 | H8 | 168.3° | 60.6° |
| C20 | C11 | C12 | N08 | 179.8° | 180.0° |
| C20 | C11 | C12 | C13 | 0.1° | 0.0° |
| C11 | C20 | N19 | C18 | 0.3° | 0.1° |
| C20 | C11 | C10 | H10 | 0.1° | 0.1° |
| C12 | C11 | C20 | N19 | 0.3° | 0.0° |
| C11 | C12 | N08 | C07 | 180.0° | 179.9° |
| C11 | C12 | N08 | C13 | 179.9° | 180.0° |
| C11 | C12 | C13 | C18 | 0.0° | 0.0° |
| C11 | C12 | C13 | C14 | 180.0° | 179.9° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C20 | N19 | C18 | C13 | 0.1° | 0.1° |
| C20 | N19 | C18 | C17 | 179.8° | 179.9° |
| N08 | C07 | C06 | H18 | 120.9° | 120.0° |
| N08 | C07 | C06 | H19 | 120.9° | 120.0° |
| C07 | N08 | C12 | C13 | 0.0° | 0.1° |
| N08 | C07 | C06 | C05 | 160.9° | 85.8° |
| N08 | C07 | C06 | C27 | 19.0° | 94.7° |
| N08 | C07 | H18 | H19 | 117.2° | 120.0° |
| C07 | N08 | C09 | H20 | 0.0° | 0.0° |
| C12 | N08 | C07 | C06 | 68.7° | 174.7° |
| N08 | C12 | C13 | C18 | 179.9° | 180.0° |
| N08 | C12 | C13 | C14 | 0.1° | 0.1° |
| C12 | N08 | C07 | H18 | 52.1° | 65.3° |
| C12 | N08 | C07 | H19 | 170.4° | 54.7° |
| C12 | N08 | C09 | H20 | 179.9° | 179.9° |
| C07 | C06 | C05 | C27 | 179.9° | 179.5° |
| C07 | C06 | C05 | C04 | 179.9° | 180.0° |
| C07 | C06 | C27 | C02 | 180.0° | 180.0° |
| C07 | C06 | C27 | H9 | 0.0° | 0.2° |
| C07 | C06 | C05 | H17 | 0.0° | 0.2° |
| C06 | C07 | H18 | H19 | 117.2° | 120.0° |
| C12 | C13 | C18 | N19 | 0.0° | 0.1° |
| C12 | C13 | C18 | C14 | 180.0° | 179.9° |
| C12 | C13 | C18 | C17 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 180.0° | 180.0° |
| C12 | C13 | C14 | H11 | 0.0° | 0.1° |
| N19 | C18 | C13 | C17 | 180.0° | 179.9° |
| N19 | C18 | C13 | C14 | 180.0° | 180.0° |
| N19 | C18 | C17 | C16 | 179.9° | 179.9° |
| N19 | C18 | C17 | H14 | 0.0° | 0.0° |
| C23 | C22 | H1 | H2 | 117.2° | 120.0° |
| C22 | C23 | H3 | H4 | 119.9° | 120.1° |
| C22 | C23 | N24 | H21 | 176.9° | 64.6° |
| C18 | C13 | C14 | C15 | 0.0° | 0.1° |
| C13 | C18 | C17 | C16 | 0.1° | 0.0° |
| C18 | C13 | C14 | H11 | 180.0° | 180.0° |
| C13 | C18 | C17 | H14 | 179.9° | 180.0° |
| C14 | C13 | C18 | C17 | 0.0° | 0.1° |
| C13 | C14 | C15 | H11 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | H12 | 180.0° | 180.0° |
| C18 | C17 | C16 | H14 | 180.0° | 180.0° |
| C18 | C17 | C16 | C15 | 0.1° | 0.0° |
| C18 | C17 | C16 | H13 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | C16 | H12 | 180.0° | 180.0° |
| C14 | C15 | C16 | H13 | 179.9° | 180.0° |
| C17 | C16 | C15 | H13 | 180.0° | 180.0° |
| C17 | C16 | C15 | H12 | 179.9° | 180.0° |
| C16 | C15 | C14 | H11 | 180.0° | 179.9° |
| C15 | C16 | C17 | H14 | 179.9° | 180.0° |
| C06 | C05 | C04 | H17 | 180.0° | 179.8° |
| C05 | C06 | C27 | C02 | 0.1° | 0.5° |
| C06 | C05 | C04 | C03 | 0.1° | 0.2° |
| C05 | C06 | C27 | H9 | 179.9° | 179.7° |
| C06 | C05 | C04 | H16 | 179.9° | 179.8° |
| C05 | C06 | C07 | H18 | 40.0° | 154.1° |
| C05 | C06 | C07 | H19 | 78.2° | 34.2° |
| C27 | C06 | C05 | C04 | 0.0° | 0.5° |
| C06 | C27 | C02 | H9 | 180.0° | 179.7° |
| C06 | C27 | C02 | C03 | 0.0° | 0.3° |
| C06 | C27 | C02 | CL01 | 179.9° | 179.8° |
| C27 | C06 | C05 | H17 | 180.0° | 179.7° |
| C27 | C06 | C07 | H18 | 139.9° | 25.4° |
| C27 | C06 | C07 | H19 | 101.9° | 145.3° |
| C05 | C04 | C03 | H16 | 180.0° | 180.0° |
| C05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C05 | C04 | C03 | H15 | 179.9° | 180.0° |
| C27 | C02 | C03 | C04 | 0.0° | 0.1° |
| C27 | C02 | C03 | CL01 | 179.9° | 179.9° |
| C27 | C02 | C03 | H15 | 180.0° | 180.0° |
| C04 | C03 | C02 | H15 | 180.0° | 180.0° |
| C04 | C03 | C02 | CL01 | 180.0° | 180.0° |
| C03 | C04 | C05 | H17 | 179.9° | 180.0° |
| C03 | C02 | C27 | H9 | 180.0° | 180.0° |
| C02 | C03 | C04 | H16 | 179.9° | 180.0° |
| CL01 | C02 | C27 | H9 | 0.1° | 0.1° |
| CL01 | C02 | C03 | H15 | 0.1° | 0.0° |
| H1 | C22 | C23 | H3 | 170.7° | 178.4° |
| H1 | C22 | C23 | H4 | 50.7° | 58.4° |
| H2 | C22 | C23 | H3 | 52.5° | 58.4° |
| H2 | C22 | C23 | H4 | 67.5° | 61.7° |
| H3 | C23 | N24 | H21 | 56.8° | 175.5° |
| H4 | C23 | N24 | H21 | 63.1° | 55.4° |
| H5 | C25 | C26 | H7 | 172.4° | 61.8° |
| H5 | C25 | C26 | H8 | 54.0° | 58.3° |
| H5 | C25 | N24 | H21 | 57.8° | 55.4° |
| H6 | C25 | C26 | H7 | 52.5° | 58.4° |
| H6 | C25 | C26 | H8 | 65.8° | 178.5° |
| H6 | C25 | N24 | H21 | 62.1° | 175.4° |
| H10 | C10 | C09 | H20 | 0.1° | 0.1° |
| H11 | C14 | C15 | H12 | 0.0° | 0.0° |
| H12 | C15 | C16 | H13 | 0.1° | 0.0° |
| H13 | C16 | C17 | H14 | 0.1° | 0.0° |
| H15 | C03 | C04 | H16 | 0.1° | 0.0° |
| H16 | C04 | C05 | H17 | 0.1° | 0.0° |
