L1E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C5 | doub | 1.32Å | 1.32Å | Aromatic |
| C5 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | C7 | sing | 1.48Å | 1.42Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.40Å | Aromatic |
| C7 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.33Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | doub | 1.41Å | 1.40Å | Aromatic |
| C15 | C16 | sing | 1.42Å | 1.40Å | Aromatic |
| C15 | C21 | sing | 1.41Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | sing | 1.51Å | 1.53Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | C22 | doub | 1.36Å | 1.38Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | N23 | sing | 1.33Å | 1.32Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | C24 | sing | 1.41Å | 1.41Å | Aromatic |
| C24 | N25 | sing | 1.39Å | 1.34Å | |
| C24 | N23 | doub | 1.32Å | 1.34Å | Aromatic |
| N25 | C26 | sing | 1.40Å | 1.33Å | |
| C26 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C26 | C31 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | CL32 | sing | 1.74Å | 1.72Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| N13 | C14 | sing | 1.40Å | 1.35Å | |
| C12 | N13 | sing | 1.39Å | 1.34Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C12 | N11 | doub | 1.32Å | 1.36Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | N4 | doub | 1.33Å | 1.35Å | Aromatic |
| C1 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| N33 | C1 | sing | 1.35Å | 1.33Å | Aromatic |
| C1 | C2 | doub | 1.41Å | 1.40Å | Aromatic |
| N35 | C2 | sing | 1.38Å | 1.33Å | Aromatic |
| C34 | N35 | sing | 1.35Å | 1.33Å | Aromatic |
| N33 | C34 | doub | 1.30Å | 1.33Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C5 | N4 | 121.9° | 122.6° |
| N6 | C5 | H5 | 119.0° | 118.7° |
| C5 | N6 | C1 | 118.8° | 120.6° |
| N4 | C5 | H5 | 119.1° | 118.7° |
| C5 | N4 | C3 | 123.4° | 121.1° |
| C3 | C7 | C8 | 121.0° | 120.6° |
| C3 | C7 | C12 | 122.0° | 120.6° |
| C7 | C3 | C2 | 123.9° | 120.8° |
| C7 | C3 | N4 | 120.3° | 120.8° |
| C8 | C7 | C12 | 117.0° | 118.8° |
| C7 | C8 | C9 | 120.3° | 118.4° |
| C7 | C8 | H8 | 119.9° | 120.8° |
| C7 | C12 | N13 | 119.9° | 119.8° |
| C7 | C12 | N11 | 120.9° | 120.4° |
| C9 | C8 | H8 | 119.9° | 120.8° |
| C8 | C9 | C10 | 119.9° | 119.4° |
| C8 | C9 | H9 | 120.1° | 120.2° |
| C9 | C10 | N11 | 119.7° | 121.2° |
| C9 | C10 | H10 | 120.1° | 119.4° |
| C10 | C9 | H9 | 120.1° | 120.3° |
| N11 | C10 | H10 | 120.2° | 119.4° |
| C10 | N11 | C12 | 122.3° | 121.7° |
| C14 | C15 | C16 | 121.1° | 119.5° |
| C14 | C15 | C21 | 119.9° | 122.1° |
| C15 | C14 | C19 | 118.8° | 119.2° |
| C15 | C14 | N13 | 120.0° | 120.4° |
| C16 | C15 | C21 | 119.0° | 118.3° |
| C15 | C16 | C17 | 119.7° | 119.6° |
| C15 | C16 | C24 | 118.5° | 118.5° |
| C15 | C21 | C22 | 119.7° | 118.9° |
| C15 | C21 | H21 | 120.2° | 120.6° |
| C18 | C17 | C16 | 119.5° | 119.8° |
| C18 | C17 | H17 | 120.2° | 120.1° |
| C17 | C18 | C19 | 120.7° | 121.1° |
| C17 | C18 | H18 | 119.7° | 119.4° |
| C16 | C17 | H17 | 120.3° | 120.1° |
| C17 | C16 | C24 | 121.9° | 122.0° |
| C19 | C20 | H20 | 109.5° | 109.5° |
| C19 | C20 | H20A | 109.4° | 109.5° |
| C19 | C20 | H20B | 109.5° | 109.5° |
| C20 | C19 | C18 | 119.5° | 119.6° |
| C20 | C19 | C14 | 120.3° | 119.6° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.5° | 109.4° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| C22 | C21 | H21 | 120.2° | 120.5° |
| C21 | C22 | N23 | 120.7° | 121.9° |
| C21 | C22 | H22 | 119.7° | 119.1° |
| N23 | C22 | H22 | 119.6° | 119.0° |
| C22 | N23 | C24 | 122.2° | 122.6° |
| C16 | C24 | N25 | 121.0° | 120.1° |
| C16 | C24 | N23 | 120.0° | 119.8° |
| N25 | C24 | N23 | 119.0° | 120.1° |
| C24 | N25 | C26 | 124.4° | 120.0° |
| C24 | N25 | HN25 | 117.8° | 120.0° |
| N25 | C26 | C27 | 121.3° | 120.0° |
| N25 | C26 | C31 | 118.8° | 120.1° |
| C26 | N25 | HN25 | 117.8° | 120.0° |
| C27 | C26 | C31 | 119.8° | 119.8° |
| C26 | C27 | C28 | 120.4° | 119.9° |
| C26 | C27 | H27 | 119.8° | 120.0° |
| C26 | C31 | C30 | 120.3° | 120.0° |
| C26 | C31 | H31 | 119.8° | 120.0° |
| C27 | C28 | C29 | 119.0° | 120.1° |
| C27 | C28 | H28 | 120.5° | 120.0° |
| C28 | C27 | H27 | 119.8° | 120.0° |
| C29 | C28 | H28 | 120.5° | 120.0° |
| C28 | C29 | C30 | 121.5° | 120.1° |
| C28 | C29 | CL32 | 118.9° | 119.9° |
| C30 | C29 | CL32 | 119.7° | 119.9° |
| C29 | C30 | C31 | 119.0° | 120.1° |
| C29 | C30 | H30 | 120.5° | 120.0° |
| C31 | C30 | H30 | 120.5° | 120.0° |
| C30 | C31 | H31 | 119.8° | 120.0° |
| C19 | C18 | H18 | 119.6° | 119.5° |
| C18 | C19 | C14 | 120.2° | 120.7° |
| C19 | C14 | N13 | 121.2° | 120.3° |
| C14 | N13 | C12 | 124.5° | 120.0° |
| C14 | N13 | HN13 | 117.7° | 120.0° |
| C12 | N13 | HN13 | 117.8° | 120.0° |
| N13 | C12 | N11 | 119.2° | 119.8° |
| C2 | C3 | N4 | 115.7° | 118.4° |
| C3 | C2 | C1 | 119.5° | 118.5° |
| C3 | C2 | N35 | 133.9° | 135.3° |
| N6 | C1 | N33 | 131.5° | 134.5° |
| N6 | C1 | C2 | 120.7° | 118.7° |
| N33 | C1 | C2 | 107.8° | 106.8° |
| C1 | N33 | C34 | 107.7° | 109.7° |
| C1 | C2 | N35 | 106.6° | 106.1° |
| C2 | N35 | C34 | 108.1° | 107.2° |
| C2 | N35 | HN35 | 125.9° | 126.4° |
| N35 | C34 | N33 | 109.8° | 110.1° |
| N35 | C34 | H34 | 125.1° | 124.9° |
| C34 | N35 | HN35 | 125.9° | 126.4° |
| N33 | C34 | H34 | 125.1° | 124.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C5 | N4 | H5 | 180.0° | 179.7° |
| N6 | C5 | N4 | C3 | 0.7° | 0.3° |
| C5 | N6 | C1 | N33 | 180.0° | 179.9° |
| C5 | N6 | C1 | C2 | 0.4° | 0.0° |
| C5 | N4 | C3 | C7 | 178.6° | 180.0° |
| C5 | N4 | C3 | C2 | 1.6° | 0.5° |
| N4 | C5 | N6 | C1 | 0.3° | 0.0° |
| H5 | C5 | N4 | C3 | 179.3° | 180.0° |
| H5 | C5 | N6 | C1 | 179.6° | 179.7° |
| C3 | C7 | C8 | C12 | 177.6° | 179.7° |
| C3 | C7 | C8 | C9 | 177.9° | 179.7° |
| C3 | C7 | C8 | H8 | 2.1° | 0.2° |
| C3 | C7 | C12 | N13 | 2.5° | 0.3° |
| C3 | C7 | C12 | N11 | 178.1° | 179.7° |
| C7 | C3 | C2 | N4 | 176.9° | 179.5° |
| C7 | C3 | C2 | C1 | 178.4° | 180.0° |
| C7 | C3 | C2 | N35 | 3.0° | 0.3° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C7 | C12 | N13 | 179.9° | 179.9° |
| C8 | C7 | C12 | N11 | 0.5° | 0.0° |
| C7 | C8 | C9 | H9 | 179.9° | 180.0° |
| C8 | C7 | C3 | C2 | 3.2° | 109.0° |
| C8 | C7 | C3 | N4 | 179.9° | 71.5° |
| C12 | C7 | C8 | C9 | 0.3° | 0.1° |
| C12 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C12 | N11 | C10 | 0.3° | 0.0° |
| C7 | C12 | N13 | C14 | 170.3° | 29.2° |
| C7 | C12 | N13 | N11 | 179.4° | 180.0° |
| C7 | C12 | N13 | HN13 | 9.7° | 150.9° |
| C12 | C7 | C3 | C2 | 174.4° | 71.2° |
| C12 | C7 | C3 | N4 | 2.4° | 108.3° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | N11 | 0.3° | 0.1° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| H8 | C8 | C9 | C10 | 179.9° | 180.0° |
| H8 | C8 | C9 | H9 | 0.1° | 0.1° |
| C9 | C10 | N11 | H10 | 180.0° | 179.9° |
| C9 | C10 | N11 | C12 | 0.1° | 0.0° |
| C10 | N11 | C12 | N13 | 179.7° | 180.0° |
| N11 | C10 | C9 | H9 | 179.7° | 180.0° |
| H10 | C10 | N11 | C12 | 179.9° | 180.0° |
| H10 | C10 | C9 | H9 | 0.3° | 0.1° |
| C14 | C15 | C16 | C21 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 0.0° | 0.3° |
| C15 | C14 | C19 | C20 | 179.5° | 179.7° |
| C14 | C15 | C21 | C22 | 179.9° | 179.7° |
| C14 | C15 | C21 | H21 | 0.1° | 0.3° |
| C14 | C15 | C16 | C24 | 179.8° | 179.7° |
| C15 | C14 | C19 | C18 | 0.7° | 0.5° |
| C15 | C14 | C19 | N13 | 178.8° | 180.0° |
| C15 | C14 | N13 | C12 | 76.4° | 39.5° |
| C15 | C14 | N13 | HN13 | 103.6° | 140.4° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | C24 | 179.9° | 180.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C16 | C15 | C21 | C22 | 0.2° | 0.1° |
| C16 | C15 | C21 | H21 | 179.8° | 180.0° |
| C15 | C16 | C24 | N25 | 179.4° | 179.9° |
| C15 | C16 | C24 | N23 | 0.2° | 0.0° |
| C16 | C15 | C14 | C19 | 0.5° | 0.0° |
| C16 | C15 | C14 | N13 | 179.3° | 180.0° |
| C21 | C15 | C16 | C17 | 179.9° | 180.0° |
| C15 | C21 | C22 | H21 | 180.0° | 180.0° |
| C15 | C21 | C22 | N23 | 0.8° | 0.0° |
| C15 | C21 | C22 | H22 | 179.2° | 180.0° |
| C21 | C15 | C16 | C24 | 0.0° | 0.1° |
| C21 | C15 | C14 | C19 | 179.6° | 179.7° |
| C21 | C15 | C14 | N13 | 0.8° | 0.3° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 179.7° | 180.0° |
| C18 | C17 | C16 | C24 | 179.9° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.4° |
| C17 | C18 | C19 | C14 | 0.5° | 0.8° |
| C17 | C16 | C24 | N25 | 0.4° | 0.0° |
| C17 | C16 | C24 | N23 | 179.7° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.5° |
| C16 | C17 | C18 | H18 | 179.9° | 180.0° |
| H17 | C17 | C16 | C24 | 0.1° | 0.0° |
| H17 | C17 | C18 | C19 | 180.0° | 179.4° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| C19 | C20 | H20 | H20A | 120.0° | 120.0° |
| C19 | C20 | H20 | H20B | 120.0° | 120.0° |
| C19 | C20 | H20A | H20B | 120.0° | 120.0° |
| C20 | C19 | C18 | C14 | 179.8° | 179.2° |
| C20 | C19 | C18 | H18 | 0.3° | 0.6° |
| C20 | C19 | C14 | N13 | 0.7° | 0.3° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H20 | C20 | C19 | C18 | 90.1° | 94.2° |
| H20 | C20 | C19 | C14 | 90.1° | 85.0° |
| H20A | C20 | C19 | C18 | 149.9° | 145.8° |
| H20A | C20 | C19 | C14 | 29.9° | 35.0° |
| H20B | C20 | C19 | C18 | 29.9° | 25.8° |
| H20B | C20 | C19 | C14 | 149.9° | 155.0° |
| C21 | C22 | N23 | H22 | 180.0° | 180.0° |
| C21 | C22 | N23 | C24 | 1.0° | 0.0° |
| H21 | C21 | C22 | N23 | 179.2° | 180.0° |
| H21 | C21 | C22 | H22 | 0.8° | 0.0° |
| C22 | N23 | C24 | C16 | 0.8° | 0.0° |
| C22 | N23 | C24 | N25 | 180.0° | 180.0° |
| H22 | C22 | N23 | C24 | 178.9° | 180.0° |
| C16 | C24 | N25 | N23 | 179.3° | 180.0° |
| C16 | C24 | N25 | C26 | 150.6° | 174.3° |
| C16 | C24 | N25 | HN25 | 29.5° | 5.6° |
| C24 | N25 | C26 | HN25 | 180.0° | 179.9° |
| C24 | N25 | C26 | C27 | 30.9° | 147.2° |
| C24 | N25 | C26 | C31 | 149.9° | 33.0° |
| N23 | C24 | N25 | C26 | 30.2° | 5.7° |
| N23 | C24 | N25 | HN25 | 149.8° | 174.4° |
| N25 | C26 | C27 | C31 | 179.2° | 179.8° |
| N25 | C26 | C27 | C28 | 179.2° | 179.7° |
| N25 | C26 | C27 | H27 | 0.8° | 0.2° |
| N25 | C26 | C31 | C30 | 179.3° | 179.8° |
| N25 | C26 | C31 | H31 | 0.7° | 0.2° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.0° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C26 | C31 | C30 | 0.1° | 0.0° |
| C27 | C26 | C31 | H31 | 179.9° | 180.0° |
| C27 | C26 | N25 | HN25 | 149.1° | 32.9° |
| C31 | C26 | C27 | C28 | 0.1° | 0.0° |
| C31 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C31 | C30 | C29 | 0.2° | 0.0° |
| C26 | C31 | C30 | H31 | 180.0° | 180.0° |
| C26 | C31 | C30 | H30 | 179.8° | 180.0° |
| C31 | C26 | N25 | HN25 | 30.0° | 146.9° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | CL32 | 179.6° | 180.0° |
| C29 | C28 | C27 | H27 | 179.9° | 180.0° |
| C28 | C29 | C30 | CL32 | 179.8° | 180.0° |
| C28 | C29 | C30 | C31 | 0.3° | 0.0° |
| C28 | C29 | C30 | H30 | 179.7° | 180.0° |
| H28 | C28 | C27 | H27 | 0.1° | 0.0° |
| H28 | C28 | C29 | C30 | 179.8° | 180.0° |
| H28 | C28 | C29 | CL32 | 0.4° | 0.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | H31 | 179.8° | 180.0° |
| CL32 | C29 | C30 | C31 | 179.6° | 180.0° |
| CL32 | C29 | C30 | H30 | 0.4° | 0.0° |
| H30 | C30 | C31 | H31 | 0.2° | 0.0° |
| C18 | C19 | C14 | N13 | 179.6° | 179.4° |
| H18 | C18 | C19 | C14 | 179.5° | 179.7° |
| C19 | C14 | N13 | C12 | 104.8° | 140.5° |
| C19 | C14 | N13 | HN13 | 75.2° | 39.6° |
| C14 | N13 | C12 | HN13 | 180.0° | 179.9° |
| C14 | N13 | C12 | N11 | 10.3° | 150.9° |
| HN13 | N13 | C12 | N11 | 169.7° | 29.1° |
| C3 | C2 | C1 | N6 | 0.5° | 0.2° |
| C3 | C2 | C1 | N33 | 179.2° | 179.8° |
| C3 | C2 | C1 | N35 | 179.0° | 179.8° |
| C3 | C2 | N35 | C34 | 179.4° | 179.7° |
| C3 | C2 | N35 | HN35 | 0.6° | 0.2° |
| N4 | C3 | C2 | C1 | 1.5° | 0.5° |
| N4 | C3 | C2 | N35 | 179.9° | 179.8° |
| N6 | C1 | N33 | C2 | 179.7° | 179.9° |
| N6 | C1 | C2 | N35 | 179.5° | 180.0° |
| N6 | C1 | N33 | C34 | 180.0° | 180.0° |
| N33 | C1 | C2 | N35 | 0.2° | 0.0° |
| C1 | N33 | C34 | N35 | 0.8° | 0.1° |
| C1 | N33 | C34 | H34 | 179.2° | 180.0° |
| C1 | C2 | N35 | C34 | 0.7° | 0.0° |
| C2 | C1 | N33 | C34 | 0.3° | 0.1° |
| C1 | C2 | N35 | HN35 | 179.3° | 180.0° |
| C2 | N35 | C34 | HN35 | 180.0° | 179.9° |
| C2 | N35 | C34 | N33 | 0.9° | 0.1° |
| C2 | N35 | C34 | H34 | 179.1° | 180.0° |
| N35 | C34 | N33 | H34 | 180.0° | 180.0° |
| N33 | C34 | N35 | HN35 | 179.1° | 180.0° |
| H34 | C34 | N35 | HN35 | 0.9° | 0.0° |
