X4L
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | N16 | sing | 1.46Å | 1.49Å | |
| C17 | C18 | sing | 1.51Å | 1.56Å | |
| N16 | C15 | sing | 1.38Å | 1.45Å | |
| N25 | C26 | doub | 1.31Å | 1.34Å | Aromatic |
| N25 | N24 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | N24 | sing | 1.37Å | 1.43Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.38Å | Aromatic |
| N24 | C05 | sing | 1.37Å | 1.47Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C07 | sing | 1.40Å | 1.48Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.44Å | Aromatic |
| C04 | C02 | sing | 1.51Å | 1.53Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | N06 | sing | 1.34Å | 1.41Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C02 | C03 | sing | 1.53Å | 1.55Å | |
| C07 | N06 | doub | 1.32Å | 1.33Å | Aromatic |
| C07 | N08 | sing | 1.39Å | 1.43Å | |
| N08 | C09 | sing | 1.47Å | 1.45Å | |
| C09 | C10 | sing | 1.55Å | 1.55Å | |
| C09 | C13 | sing | 1.55Å | 1.58Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C13 | N12 | sing | 1.49Å | 1.50Å | |
| N12 | C11 | sing | 1.48Å | 1.51Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| N12 | H3 | sing | 1.01Å | 1.00Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C03 | H17 | sing | 1.09Å | 1.10Å | |
| C03 | H18 | sing | 1.09Å | 1.10Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C09 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| N08 | H26 | sing | 0.97Å | 1.00Å | |
| N16 | H27 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C17 | C18 | 118.5° | 109.5° |
| C17 | N16 | C15 | 124.7° | 120.0° |
| N16 | C17 | H7 | 107.2° | 109.5° |
| N16 | C17 | H8 | 107.2° | 109.5° |
| C17 | N16 | H27 | 105.6° | 120.0° |
| C17 | C18 | C23 | 119.0° | 120.0° |
| C17 | C18 | C19 | 125.7° | 120.0° |
| C18 | C17 | H7 | 107.2° | 109.4° |
| C18 | C17 | H8 | 107.2° | 109.5° |
| N16 | C15 | N24 | 121.0° | 120.5° |
| N16 | C15 | C14 | 119.9° | 120.4° |
| C15 | N16 | H27 | 105.5° | 120.0° |
| C26 | N25 | N24 | 107.2° | 108.9° |
| N25 | C26 | C04 | 112.8° | 108.9° |
| N25 | C26 | H12 | 123.6° | 125.6° |
| N25 | N24 | C15 | 132.2° | 132.5° |
| N25 | N24 | C05 | 109.3° | 107.7° |
| C26 | C04 | C05 | 106.1° | 107.6° |
| C26 | C04 | C02 | 125.9° | 126.2° |
| C04 | C26 | H12 | 123.6° | 125.5° |
| C23 | C18 | C19 | 115.3° | 120.0° |
| C18 | C23 | C22 | 121.9° | 120.0° |
| C18 | C23 | H25 | 119.1° | 120.0° |
| C18 | C19 | C20 | 124.3° | 120.1° |
| C18 | C19 | H24 | 117.9° | 120.0° |
| N24 | C15 | C14 | 119.0° | 119.1° |
| C15 | N24 | C05 | 118.5° | 119.9° |
| C15 | C14 | C07 | 121.9° | 119.3° |
| C15 | C14 | H23 | 119.1° | 120.4° |
| N24 | C05 | C04 | 104.6° | 106.9° |
| N24 | C05 | N06 | 119.6° | 120.7° |
| C23 | C22 | C21 | 120.8° | 120.0° |
| C23 | C22 | H11 | 119.6° | 120.0° |
| C22 | C23 | H25 | 119.0° | 120.0° |
| C19 | C20 | C21 | 118.0° | 120.0° |
| C19 | C20 | H9 | 121.0° | 120.0° |
| C20 | C19 | H24 | 117.8° | 120.0° |
| C14 | C07 | N06 | 118.4° | 120.2° |
| C14 | C07 | N08 | 116.3° | 119.9° |
| C07 | C14 | H23 | 119.0° | 120.4° |
| C05 | C04 | C02 | 128.0° | 126.2° |
| C04 | C05 | N06 | 135.8° | 132.4° |
| C04 | C02 | C01 | 112.8° | 109.5° |
| C04 | C02 | C03 | 112.7° | 109.5° |
| C04 | C02 | H16 | 106.6° | 109.5° |
| C22 | C21 | C20 | 119.8° | 120.0° |
| C22 | C21 | H10 | 120.1° | 120.0° |
| C21 | C22 | H11 | 119.6° | 120.0° |
| C05 | N06 | C07 | 122.5° | 120.9° |
| C01 | C02 | C03 | 111.4° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C02 | C01 | H14 | 109.4° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C01 | C02 | H16 | 106.5° | 109.4° |
| C21 | C20 | H9 | 121.0° | 120.0° |
| C20 | C21 | H10 | 120.1° | 120.0° |
| C03 | C02 | H16 | 106.3° | 109.5° |
| C02 | C03 | H17 | 109.5° | 109.4° |
| C02 | C03 | H18 | 109.5° | 109.4° |
| C02 | C03 | H19 | 109.4° | 109.5° |
| N06 | C07 | N08 | 125.2° | 119.9° |
| C07 | N08 | C09 | 133.8° | 120.0° |
| C07 | N08 | H26 | 103.1° | 120.0° |
| N08 | C09 | C10 | 113.7° | 110.7° |
| N08 | C09 | C13 | 117.9° | 110.7° |
| N08 | C09 | H20 | 107.4° | 110.8° |
| C09 | N08 | H26 | 103.1° | 120.0° |
| C10 | C09 | C13 | 104.8° | 102.9° |
| C09 | C10 | C11 | 107.0° | 105.1° |
| C09 | C10 | H1 | 110.1° | 110.3° |
| C09 | C10 | H2 | 110.1° | 110.4° |
| C10 | C09 | H20 | 106.3° | 110.7° |
| C09 | C13 | N12 | 105.7° | 103.2° |
| C09 | C13 | H5 | 110.4° | 110.6° |
| C09 | C13 | H6 | 110.4° | 110.8° |
| C13 | C09 | H20 | 105.9° | 110.7° |
| C10 | C11 | N12 | 105.7° | 107.1° |
| C11 | C10 | H1 | 110.1° | 110.3° |
| C11 | C10 | H2 | 110.1° | 110.3° |
| C10 | C11 | H21 | 110.4° | 109.9° |
| C10 | C11 | H22 | 110.4° | 109.9° |
| C13 | N12 | C11 | 106.0° | 105.8° |
| C13 | N12 | H3 | 110.3° | 111.0° |
| N12 | C13 | H5 | 110.4° | 110.7° |
| N12 | C13 | H6 | 110.4° | 110.7° |
| C11 | N12 | H3 | 110.3° | 111.0° |
| N12 | C11 | H21 | 110.4° | 109.9° |
| N12 | C11 | H22 | 110.4° | 109.9° |
| H1 | C10 | H2 | 109.4° | 110.2° |
| H5 | C13 | H6 | 109.5° | 110.6° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.4° |
| H17 | C03 | H18 | 109.4° | 109.5° |
| H17 | C03 | H19 | 109.5° | 109.5° |
| H18 | C03 | H19 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C17 | C18 | H7 | 121.3° | 120.0° |
| N16 | C17 | C18 | H8 | 121.3° | 120.0° |
| C17 | N16 | C15 | H27 | 122.1° | 179.9° |
| N16 | C17 | C18 | C23 | 163.1° | 90.0° |
| N16 | C17 | C18 | C19 | 16.5° | 90.8° |
| C17 | N16 | C15 | N24 | 151.7° | 180.0° |
| C17 | N16 | C15 | C14 | 28.0° | 0.2° |
| N16 | C17 | H7 | H8 | 115.9° | 120.0° |
| C18 | C17 | N16 | C15 | 44.8° | 180.0° |
| C17 | C18 | C23 | C19 | 179.7° | 179.2° |
| C17 | C18 | C23 | C22 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.8° | 179.7° |
| C18 | C17 | H7 | H8 | 115.9° | 120.0° |
| C17 | C18 | C19 | H24 | 0.2° | 0.8° |
| C17 | C18 | C23 | H25 | 0.0° | 0.9° |
| C18 | C17 | N16 | H27 | 77.3° | 0.0° |
| N16 | C15 | N24 | N25 | 0.4° | 0.2° |
| N16 | C15 | N24 | C14 | 179.7° | 179.8° |
| N16 | C15 | N24 | C05 | 179.7° | 179.7° |
| N16 | C15 | C14 | C07 | 179.5° | 179.7° |
| C15 | N16 | C17 | H7 | 76.5° | 60.0° |
| C15 | N16 | C17 | H8 | 166.0° | 60.0° |
| N16 | C15 | C14 | H23 | 0.5° | 0.2° |
| N25 | C26 | C04 | H12 | 180.0° | 180.0° |
| C26 | N25 | N24 | C15 | 180.0° | 180.0° |
| C26 | N25 | N24 | C05 | 0.1° | 0.0° |
| N25 | C26 | C04 | C05 | 0.3° | 0.0° |
| N25 | C26 | C04 | C02 | 179.9° | 179.9° |
| N24 | N25 | C26 | C04 | 0.2° | 0.0° |
| N25 | N24 | C15 | C05 | 179.9° | 180.0° |
| N25 | N24 | C15 | C14 | 179.9° | 180.0° |
| N25 | N24 | C05 | C04 | 0.1° | 0.0° |
| N25 | N24 | C05 | N06 | 180.0° | 180.0° |
| N24 | N25 | C26 | H12 | 179.8° | 180.0° |
| C26 | C04 | C05 | N24 | 0.2° | 0.0° |
| C26 | C04 | C05 | C02 | 179.8° | 179.9° |
| C26 | C04 | C05 | N06 | 179.9° | 180.0° |
| C26 | C04 | C02 | C01 | 21.6° | 60.1° |
| C26 | C04 | C02 | C03 | 105.6° | 59.9° |
| C26 | C04 | C02 | H16 | 138.1° | 180.0° |
| C18 | C23 | C22 | H25 | 180.0° | 179.1° |
| C23 | C18 | C19 | C20 | 0.1° | 0.5° |
| C18 | C23 | C22 | C21 | 0.2° | 0.5° |
| C23 | C18 | C17 | H7 | 41.8° | 150.0° |
| C23 | C18 | C17 | H8 | 75.6° | 30.0° |
| C18 | C23 | C22 | H11 | 179.8° | 179.5° |
| C23 | C18 | C19 | H24 | 179.9° | 180.0° |
| C19 | C18 | C23 | C22 | 0.3° | 0.8° |
| C18 | C19 | C20 | H24 | 180.0° | 179.4° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C18 | C17 | H7 | 137.8° | 29.2° |
| C19 | C18 | C17 | H8 | 104.8° | 149.2° |
| C18 | C19 | C20 | H9 | 179.9° | 179.7° |
| C19 | C18 | C23 | H25 | 179.7° | 180.0° |
| N24 | C15 | C14 | C07 | 0.2° | 0.0° |
| C15 | N24 | C05 | C04 | 179.9° | 180.0° |
| C15 | N24 | C05 | N06 | 0.1° | 0.0° |
| N24 | C15 | C14 | H23 | 179.8° | 180.0° |
| N24 | C15 | N16 | H27 | 29.6° | 0.1° |
| C14 | C15 | N24 | C05 | 0.0° | 0.0° |
| C15 | C14 | C07 | H23 | 180.0° | 179.9° |
| C15 | C14 | C07 | N06 | 0.4° | 0.0° |
| C15 | C14 | C07 | N08 | 179.5° | 180.0° |
| C14 | C15 | N16 | H27 | 150.1° | 179.7° |
| N24 | C05 | C04 | N06 | 179.9° | 180.0° |
| N24 | C05 | C04 | C02 | 180.0° | 179.9° |
| N24 | C05 | N06 | C07 | 0.1° | 0.0° |
| C23 | C22 | C21 | H11 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 0.0° | 0.0° |
| C23 | C22 | C21 | H10 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | H9 | 180.0° | 179.7° |
| C19 | C20 | C21 | H10 | 179.8° | 179.7° |
| C14 | C07 | N06 | C05 | 0.3° | 0.0° |
| C14 | C07 | N06 | N08 | 179.0° | 180.0° |
| C14 | C07 | N08 | C09 | 128.7° | 180.0° |
| C14 | C07 | N08 | H26 | 108.2° | 0.0° |
| C05 | C04 | C02 | C01 | 158.1° | 120.0° |
| C05 | C04 | C02 | C03 | 74.6° | 120.0° |
| C04 | C05 | N06 | C07 | 180.0° | 179.9° |
| C05 | C04 | C26 | H12 | 179.7° | 180.0° |
| C05 | C04 | C02 | H16 | 41.6° | 0.1° |
| C02 | C04 | C05 | N06 | 0.1° | 0.1° |
| C04 | C02 | C01 | C03 | 127.9° | 120.0° |
| C04 | C02 | C01 | H16 | 116.5° | 120.0° |
| C04 | C02 | C03 | H16 | 116.4° | 120.1° |
| C02 | C04 | C26 | H12 | 0.1° | 0.1° |
| C04 | C02 | C01 | H13 | 180.0° | 60.0° |
| C04 | C02 | C01 | H14 | 60.0° | 180.0° |
| C04 | C02 | C01 | H15 | 60.0° | 60.0° |
| C04 | C02 | C03 | H17 | 180.0° | 60.0° |
| C04 | C02 | C03 | H18 | 60.0° | 60.0° |
| C04 | C02 | C03 | H19 | 60.0° | 180.0° |
| C22 | C21 | C20 | H10 | 180.0° | 179.9° |
| C22 | C21 | C20 | H9 | 179.8° | 180.0° |
| C21 | C22 | C23 | H25 | 179.8° | 179.7° |
| C05 | N06 | C07 | N08 | 179.3° | 180.0° |
| C01 | C02 | C03 | H16 | 115.6° | 119.9° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C01 | C02 | C03 | H17 | 52.1° | 60.0° |
| C01 | C02 | C03 | H18 | 67.9° | 180.0° |
| C01 | C02 | C03 | H19 | 172.0° | 60.0° |
| C20 | C21 | C22 | H11 | 179.9° | 179.9° |
| C21 | C20 | C19 | H24 | 179.9° | 179.4° |
| C03 | C02 | C01 | H13 | 52.1° | 60.0° |
| C03 | C02 | C01 | H14 | 172.1° | 60.0° |
| C03 | C02 | C01 | H15 | 67.9° | 180.0° |
| C02 | C03 | H17 | H18 | 120.0° | 120.0° |
| C02 | C03 | H17 | H19 | 120.0° | 120.0° |
| C02 | C03 | H18 | H19 | 120.0° | 120.0° |
| N06 | C07 | N08 | C09 | 52.2° | 0.0° |
| N06 | C07 | C14 | H23 | 179.6° | 179.9° |
| N06 | C07 | N08 | H26 | 70.8° | 180.0° |
| C07 | N08 | C09 | H26 | 123.0° | 180.0° |
| C07 | N08 | C09 | C10 | 159.8° | 155.0° |
| C07 | N08 | C09 | C13 | 36.5° | 91.5° |
| C07 | N08 | C09 | H20 | 82.9° | 31.8° |
| N08 | C07 | C14 | H23 | 0.5° | 0.1° |
| N08 | C09 | C10 | C13 | 130.1° | 118.4° |
| N08 | C09 | C10 | H20 | 117.9° | 123.3° |
| N08 | C09 | C13 | H20 | 120.2° | 123.3° |
| N08 | C09 | C10 | C11 | 131.3° | 140.3° |
| N08 | C09 | C13 | N12 | 109.1° | 155.8° |
| N08 | C09 | C10 | H1 | 11.7° | 21.4° |
| N08 | C09 | C10 | H2 | 109.1° | 100.7° |
| N08 | C09 | C13 | H5 | 131.5° | 37.3° |
| N08 | C09 | C13 | H6 | 10.3° | 85.7° |
| C10 | C09 | C13 | H20 | 112.2° | 118.4° |
| C09 | C10 | C11 | H1 | 119.6° | 119.0° |
| C09 | C10 | C11 | H2 | 119.6° | 119.0° |
| C10 | C09 | C13 | N12 | 18.6° | 37.4° |
| C09 | C10 | C11 | N12 | 20.3° | 1.2° |
| C09 | C10 | H1 | H2 | 121.1° | 122.2° |
| C10 | C09 | C13 | H5 | 100.8° | 81.0° |
| C10 | C09 | C13 | H6 | 138.0° | 155.9° |
| C09 | C10 | C11 | H21 | 139.8° | 118.2° |
| C09 | C10 | C11 | H22 | 99.1° | 120.6° |
| C10 | C09 | N08 | H26 | 36.7° | 25.0° |
| C13 | C09 | C10 | C11 | 1.2° | 22.0° |
| C09 | C13 | N12 | H5 | 119.4° | 118.4° |
| C09 | C13 | N12 | H6 | 119.4° | 118.6° |
| C09 | C13 | N12 | C11 | 31.7° | 39.2° |
| C13 | C09 | C10 | H1 | 118.5° | 97.0° |
| C13 | C09 | C10 | H2 | 120.8° | 140.9° |
| C09 | C13 | N12 | H3 | 151.2° | 81.3° |
| C09 | C13 | H5 | H6 | 121.7° | 123.2° |
| C13 | C09 | N08 | H26 | 86.5° | 88.5° |
| C10 | C11 | N12 | C13 | 32.6° | 25.3° |
| C10 | C11 | N12 | H21 | 119.4° | 119.4° |
| C10 | C11 | N12 | H22 | 119.4° | 119.3° |
| C11 | C10 | H1 | H2 | 121.1° | 122.1° |
| C10 | C11 | N12 | H3 | 152.1° | 95.2° |
| C11 | C10 | C09 | H20 | 110.8° | 96.4° |
| C10 | C11 | H21 | H22 | 121.7° | 121.2° |
| C13 | N12 | C11 | H3 | 119.5° | 120.5° |
| N12 | C13 | H5 | H6 | 121.7° | 123.1° |
| N12 | C13 | C09 | H20 | 130.7° | 81.0° |
| C13 | N12 | C11 | H21 | 152.0° | 94.0° |
| C13 | N12 | C11 | H22 | 86.8° | 144.7° |
| N12 | C11 | C10 | H1 | 99.3° | 120.2° |
| N12 | C11 | C10 | H2 | 140.0° | 117.8° |
| C11 | N12 | C13 | H5 | 87.7° | 79.2° |
| C11 | N12 | C13 | H6 | 151.2° | 157.8° |
| N12 | C11 | H21 | H22 | 121.7° | 121.2° |
| H1 | C10 | C09 | H20 | 129.6° | 144.6° |
| H1 | C10 | C11 | H21 | 20.2° | 0.8° |
| H1 | C10 | C11 | H22 | 141.3° | 120.5° |
| H2 | C10 | C09 | H20 | 8.9° | 22.6° |
| H2 | C10 | C11 | H21 | 100.6° | 122.8° |
| H2 | C10 | C11 | H22 | 20.6° | 1.6° |
| H3 | N12 | C13 | H5 | 31.8° | 160.3° |
| H3 | N12 | C13 | H6 | 89.4° | 37.3° |
| H3 | N12 | C11 | H21 | 88.5° | 145.5° |
| H3 | N12 | C11 | H22 | 32.7° | 24.2° |
| H5 | C13 | C09 | H20 | 11.4° | 160.6° |
| H6 | C13 | C09 | H20 | 109.8° | 37.5° |
| H7 | C17 | N16 | H27 | 161.4° | 120.0° |
| H8 | C17 | N16 | H27 | 44.0° | 120.1° |
| H9 | C20 | C21 | H10 | 0.2° | 0.0° |
| H9 | C20 | C19 | H24 | 0.1° | 0.3° |
| H10 | C21 | C22 | H11 | 0.0° | 0.0° |
| H11 | C22 | C23 | H25 | 0.2° | 0.4° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H13 | C01 | C02 | H16 | 63.5° | 180.0° |
| H14 | C01 | C02 | H16 | 56.5° | 60.0° |
| H15 | C01 | C02 | H16 | 176.5° | 60.0° |
| H16 | C02 | C03 | H17 | 63.6° | 180.0° |
| H16 | C02 | C03 | H18 | 176.4° | 60.0° |
| H16 | C02 | C03 | H19 | 56.4° | 60.0° |
| H17 | C03 | H18 | H19 | 120.0° | 120.0° |
| H20 | C09 | N08 | H26 | 154.1° | 148.3° |
