4L6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C11 | C2 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C5 | N6 | doub | 1.30Å | 1.31Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N7 | N6 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | N7 | sing | 1.37Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.48Å | 1.49Å | |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C12 | sing | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | doub | 1.37Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.42Å | 1.43Å | Aromatic |
| C16 | C22 | sing | 1.42Å | 1.42Å | Aromatic |
| N18 | C17 | sing | 1.38Å | 1.38Å | |
| C17 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| N18 | HN1A | sing | 0.97Å | 1.00Å | |
| C23 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | N20 | doub | 1.33Å | 1.34Å | Aromatic |
| N20 | N21 | sing | 1.28Å | 1.29Å | Aromatic |
| C22 | N21 | doub | 1.34Å | 1.34Å | Aromatic |
| O25 | C23 | doub | 1.22Å | 1.23Å | |
| C23 | N24 | sing | 1.35Å | 1.35Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| N24 | HN2A | sing | 0.97Å | 1.00Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H1A | 109.4° | 109.5° |
| C2 | C1 | H1B | 109.4° | 109.5° |
| C1 | C2 | C11 | 121.3° | 119.7° |
| C1 | C2 | C3 | 117.6° | 119.7° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.4° |
| C11 | C2 | C3 | 121.2° | 120.6° |
| C2 | C11 | C10 | 120.3° | 120.3° |
| C2 | C11 | C12 | 121.8° | 119.8° |
| C2 | C3 | C4 | 118.7° | 120.0° |
| C2 | C3 | H3 | 120.6° | 120.0° |
| C4 | C3 | H3 | 120.6° | 120.0° |
| C3 | C4 | C9 | 120.1° | 119.8° |
| C3 | C4 | C5 | 133.5° | 133.4° |
| C9 | C4 | C5 | 106.4° | 106.8° |
| C4 | C9 | N7 | 106.9° | 106.6° |
| C4 | C9 | C10 | 120.5° | 119.7° |
| C4 | C5 | N6 | 108.4° | 108.7° |
| C4 | C5 | H5 | 125.8° | 125.6° |
| N6 | C5 | H5 | 125.8° | 125.6° |
| C5 | N6 | N7 | 110.6° | 109.7° |
| N6 | N7 | C9 | 107.7° | 108.1° |
| N6 | N7 | H7 | 126.2° | 125.9° |
| N7 | C9 | C10 | 132.5° | 133.7° |
| C9 | N7 | H7 | 126.2° | 126.0° |
| C9 | C10 | C11 | 119.1° | 119.6° |
| C9 | C10 | H10 | 120.5° | 120.2° |
| C11 | C10 | H10 | 120.4° | 120.2° |
| C10 | C11 | C12 | 117.9° | 119.8° |
| C11 | C12 | C13 | 121.6° | 120.3° |
| C11 | C12 | C22 | 120.3° | 120.4° |
| C13 | C12 | C22 | 118.1° | 119.3° |
| C12 | C13 | C14 | 121.1° | 120.8° |
| C12 | C13 | H13 | 119.5° | 119.6° |
| C12 | C22 | C16 | 120.0° | 119.0° |
| C12 | C22 | N21 | 120.0° | 121.5° |
| C14 | C13 | H13 | 119.5° | 119.6° |
| C13 | C14 | C15 | 122.0° | 121.0° |
| C13 | C14 | H14 | 119.0° | 119.5° |
| C15 | C14 | H14 | 119.0° | 119.5° |
| C14 | C15 | C16 | 118.5° | 119.9° |
| C14 | C15 | H15 | 120.8° | 120.0° |
| C16 | C15 | H15 | 120.7° | 120.1° |
| C15 | C16 | C17 | 121.1° | 121.9° |
| C15 | C16 | C22 | 120.3° | 120.0° |
| C17 | C16 | C22 | 118.6° | 118.1° |
| C16 | C17 | N18 | 121.2° | 121.4° |
| C16 | C17 | C19 | 116.0° | 117.2° |
| C16 | C22 | N21 | 120.0° | 119.5° |
| N18 | C17 | C19 | 122.8° | 121.4° |
| C17 | N18 | HN18 | 109.5° | 120.0° |
| C17 | N18 | HN1A | 109.5° | 120.0° |
| C17 | C19 | C23 | 122.7° | 120.0° |
| C17 | C19 | N20 | 120.6° | 120.1° |
| HN18 | N18 | HN1A | 109.4° | 120.0° |
| C23 | C19 | N20 | 116.7° | 119.9° |
| C19 | C23 | O25 | 121.5° | 120.0° |
| C19 | C23 | N24 | 117.6° | 120.0° |
| C19 | N20 | N21 | 123.4° | 123.1° |
| N20 | N21 | C22 | 121.4° | 122.1° |
| O25 | C23 | N24 | 120.8° | 120.0° |
| C23 | N24 | HN24 | 120.0° | 120.0° |
| C23 | N24 | HN2A | 120.0° | 120.0° |
| HN24 | N24 | HN2A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H1 | H1A | 120.0° | 120.1° |
| C2 | C1 | H1 | H1B | 120.0° | 120.0° |
| C2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | C2 | C11 | C3 | 179.8° | 179.8° |
| C1 | C2 | C3 | C4 | 179.9° | 180.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.0° |
| C1 | C2 | C11 | C10 | 179.8° | 179.8° |
| C1 | C2 | C11 | C12 | 0.2° | 0.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | C2 | C11 | 90.1° | 90.3° |
| H1 | C1 | C2 | C3 | 90.1° | 90.0° |
| H1A | C1 | C2 | C11 | 149.9° | 29.8° |
| H1A | C1 | C2 | C3 | 29.9° | 150.0° |
| H1B | C1 | C2 | C11 | 29.9° | 149.7° |
| H1B | C1 | C2 | C3 | 149.9° | 30.1° |
| C11 | C2 | C3 | C4 | 0.2° | 0.2° |
| C11 | C2 | C3 | H3 | 179.8° | 179.8° |
| C2 | C11 | C10 | C9 | 0.3° | 0.5° |
| C2 | C11 | C10 | C12 | 180.0° | 179.8° |
| C2 | C11 | C10 | H10 | 179.7° | 179.8° |
| C2 | C11 | C12 | C13 | 104.6° | 115.0° |
| C2 | C11 | C12 | C22 | 74.7° | 64.7° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C9 | 0.3° | 0.1° |
| C2 | C3 | C4 | C5 | 179.6° | 180.0° |
| C3 | C2 | C11 | C10 | 0.1° | 0.5° |
| C3 | C2 | C11 | C12 | 179.9° | 179.8° |
| C3 | C4 | C9 | C5 | 179.9° | 179.9° |
| C3 | C4 | C5 | N6 | 179.9° | 179.9° |
| C3 | C4 | C5 | H5 | 0.1° | 0.0° |
| C3 | C4 | C9 | N7 | 179.9° | 179.9° |
| C3 | C4 | C9 | C10 | 0.0° | 0.1° |
| H3 | C3 | C4 | C9 | 179.7° | 180.0° |
| H3 | C3 | C4 | C5 | 0.4° | 0.1° |
| C9 | C4 | C5 | N6 | 0.0° | 0.0° |
| C9 | C4 | C5 | H5 | 180.0° | 180.0° |
| C4 | C9 | N7 | N6 | 0.3° | 0.0° |
| C4 | C9 | N7 | C10 | 179.9° | 180.0° |
| C4 | C9 | C10 | C11 | 0.3° | 0.2° |
| C4 | C9 | C10 | H10 | 179.7° | 180.0° |
| C4 | C9 | N7 | H7 | 179.7° | 180.0° |
| C4 | C5 | N6 | H5 | 180.0° | 180.0° |
| C4 | C5 | N6 | N7 | 0.2° | 0.0° |
| C5 | C4 | C9 | N7 | 0.2° | 0.0° |
| C5 | C4 | C9 | C10 | 179.9° | 180.0° |
| C5 | N6 | N7 | C9 | 0.3° | 0.0° |
| C5 | N6 | N7 | H7 | 179.7° | 180.0° |
| H5 | C5 | N6 | N7 | 179.9° | 180.0° |
| N6 | N7 | C9 | H7 | 180.0° | 180.0° |
| N6 | N7 | C9 | C10 | 179.8° | 180.0° |
| N7 | C9 | C10 | C11 | 179.8° | 179.8° |
| N7 | C9 | C10 | H10 | 0.2° | 0.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.8° |
| C9 | C10 | C11 | C12 | 179.7° | 179.8° |
| C10 | C9 | N7 | H7 | 0.2° | 0.0° |
| C10 | C11 | C12 | C13 | 75.4° | 65.3° |
| C10 | C11 | C12 | C22 | 105.3° | 115.1° |
| H10 | C10 | C11 | C12 | 0.3° | 0.0° |
| C11 | C12 | C13 | C22 | 179.3° | 179.7° |
| C11 | C12 | C13 | C14 | 179.5° | 180.0° |
| C11 | C12 | C13 | H13 | 0.5° | 0.1° |
| C11 | C12 | C22 | C16 | 179.7° | 179.8° |
| C11 | C12 | C22 | N21 | 0.2° | 0.6° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.7° | 0.0° |
| C12 | C13 | C14 | H14 | 179.3° | 180.0° |
| C13 | C12 | C22 | C16 | 0.4° | 0.5° |
| C13 | C12 | C22 | N21 | 179.2° | 179.8° |
| C22 | C12 | C13 | C14 | 0.2° | 0.3° |
| C22 | C12 | C13 | H13 | 179.8° | 179.7° |
| C12 | C22 | C16 | C15 | 0.3° | 0.5° |
| C12 | C22 | C16 | C17 | 179.8° | 179.8° |
| C12 | C22 | C16 | N21 | 179.5° | 179.3° |
| C12 | C22 | N21 | N20 | 178.7° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.3° | 0.1° |
| C13 | C14 | C15 | H15 | 178.7° | 180.0° |
| H13 | C13 | C14 | C15 | 179.3° | 180.0° |
| H13 | C13 | C14 | H14 | 0.7° | 0.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 179.0° | 180.0° |
| C14 | C15 | C16 | C22 | 1.2° | 0.2° |
| H14 | C14 | C15 | C16 | 178.6° | 180.0° |
| H14 | C14 | C15 | H15 | 1.3° | 0.0° |
| C15 | C16 | C17 | C22 | 179.9° | 179.8° |
| C15 | C16 | C17 | N18 | 0.6° | 0.0° |
| C15 | C16 | C17 | C19 | 179.3° | 180.0° |
| C15 | C16 | C22 | N21 | 179.9° | 179.7° |
| H15 | C15 | C16 | C17 | 1.0° | 0.0° |
| H15 | C15 | C16 | C22 | 178.9° | 179.8° |
| C16 | C17 | N18 | C19 | 178.6° | 180.0° |
| C16 | C17 | N18 | HN18 | 180.0° | 5.3° |
| C16 | C17 | N18 | HN1A | 60.0° | 174.6° |
| C16 | C17 | C19 | C23 | 177.8° | 179.9° |
| C16 | C17 | C19 | N20 | 0.4° | 0.0° |
| C17 | C16 | C22 | N21 | 0.3° | 0.5° |
| C22 | C16 | C17 | N18 | 179.5° | 179.8° |
| C22 | C16 | C17 | C19 | 0.8° | 0.2° |
| C16 | C22 | N21 | N20 | 0.8° | 0.5° |
| C17 | N18 | HN18 | HN1A | 120.0° | 179.9° |
| N18 | C17 | C19 | C23 | 0.9° | 0.0° |
| N18 | C17 | C19 | N20 | 179.1° | 180.0° |
| C19 | C17 | N18 | HN18 | 1.4° | 174.7° |
| C19 | C17 | N18 | HN1A | 118.6° | 5.4° |
| C17 | C19 | C23 | N20 | 178.3° | 180.0° |
| C17 | C19 | N20 | N21 | 0.6° | 0.0° |
| C17 | C19 | C23 | O25 | 13.3° | 5.6° |
| C17 | C19 | C23 | N24 | 164.4° | 174.5° |
| C23 | C19 | N20 | N21 | 178.9° | 179.9° |
| C19 | C23 | O25 | N24 | 177.7° | 179.9° |
| C19 | C23 | N24 | HN24 | 177.7° | 0.0° |
| C19 | C23 | N24 | HN2A | 2.2° | 180.0° |
| C19 | N20 | N21 | C22 | 1.3° | 0.3° |
| N20 | C19 | C23 | O25 | 168.4° | 174.4° |
| N20 | C19 | C23 | N24 | 13.9° | 5.5° |
| O25 | C23 | N24 | HN24 | 0.0° | 179.9° |
| O25 | C23 | N24 | HN2A | 180.0° | 0.1° |
| C23 | N24 | HN24 | HN2A | 179.9° | 180.0° |
