LC0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C16 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N25 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | C15 | sing | 1.51Å | 1.49Å | |
| C13 | O32 | sing | 1.43Å | 1.42Å | |
| C17 | C14 | sing | 1.51Å | 1.49Å | |
| C17 | N25 | sing | 1.32Å | 1.34Å | Aromatic |
| C20 | C18 | doub | 1.40Å | 1.38Å | Aromatic |
| C20 | O32 | sing | 1.36Å | 1.38Å | |
| C21 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C21 | C19 | sing | 1.48Å | 1.44Å | Aromatic |
| C21 | N28 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| C22 | N24 | sing | 1.39Å | 1.40Å | |
| C22 | N26 | doub | 1.33Å | 1.34Å | Aromatic |
| C1 | N29 | sing | 1.47Å | 1.45Å | |
| C2 | O30 | sing | 1.43Å | 1.42Å | |
| C3 | O31 | sing | 1.43Å | 1.42Å | |
| C9 | C19 | sing | 1.41Å | 1.42Å | Aromatic |
| C9 | N27 | doub | 1.31Å | 1.34Å | Aromatic |
| C11 | N26 | sing | 1.32Å | 1.33Å | Aromatic |
| C12 | C19 | doub | 1.37Å | 1.37Å | Aromatic |
| C12 | N29 | sing | 1.35Å | 1.37Å | Aromatic |
| C14 | O33 | sing | 1.43Å | 1.42Å | |
| C16 | O30 | sing | 1.36Å | 1.38Å | |
| C18 | O31 | sing | 1.36Å | 1.38Å | |
| C23 | N28 | doub | 1.32Å | 1.34Å | Aromatic |
| C23 | O33 | sing | 1.36Å | 1.39Å | |
| N27 | N29 | sing | 1.40Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C2 | H2B | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N24 | HN24 | sing | 0.97Å | 1.00Å | |
| N24 | HN2A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C4 | C15 | 120.3° | 120.0° |
| C4 | C6 | C16 | 119.4° | 120.0° |
| C6 | C4 | H4 | 119.8° | 120.0° |
| C4 | C6 | H6 | 120.3° | 120.1° |
| C4 | C15 | C5 | 119.7° | 120.1° |
| C4 | C15 | C13 | 119.8° | 119.9° |
| C15 | C4 | H4 | 119.9° | 120.0° |
| C7 | C5 | C15 | 120.5° | 120.0° |
| C5 | C7 | C16 | 119.2° | 120.0° |
| C7 | C5 | H5 | 119.7° | 120.0° |
| C5 | C7 | H7 | 120.4° | 120.0° |
| C5 | C15 | C13 | 120.5° | 120.0° |
| C15 | C5 | H5 | 119.7° | 120.0° |
| C6 | C16 | C7 | 120.9° | 119.8° |
| C6 | C16 | O30 | 119.6° | 120.0° |
| C16 | C6 | H6 | 120.2° | 120.0° |
| C7 | C16 | O30 | 119.5° | 120.1° |
| C16 | C7 | H7 | 120.4° | 120.0° |
| C17 | C8 | C18 | 118.4° | 119.1° |
| C8 | C17 | C14 | 117.8° | 119.5° |
| C8 | C17 | N25 | 124.2° | 121.0° |
| C17 | C8 | H8 | 120.8° | 120.5° |
| C8 | C18 | C20 | 118.8° | 118.3° |
| C8 | C18 | O31 | 121.6° | 120.9° |
| C18 | C8 | H8 | 120.8° | 120.4° |
| C20 | C10 | N25 | 124.1° | 120.7° |
| C10 | C20 | C18 | 118.6° | 119.0° |
| C10 | C20 | O32 | 120.4° | 120.5° |
| C20 | C10 | H10 | 118.0° | 119.6° |
| C10 | N25 | C17 | 116.0° | 121.9° |
| N25 | C10 | H10 | 118.0° | 119.6° |
| C15 | C13 | O32 | 108.1° | 109.5° |
| C15 | C13 | H13 | 110.0° | 109.5° |
| C15 | C13 | H13A | 109.9° | 109.5° |
| C13 | O32 | C20 | 109.0° | 117.0° |
| O32 | C13 | H13 | 109.9° | 109.5° |
| O32 | C13 | H13A | 109.9° | 109.4° |
| C14 | C17 | N25 | 118.0° | 119.5° |
| C17 | C14 | O33 | 111.3° | 109.4° |
| C17 | C14 | H14 | 108.9° | 109.4° |
| C17 | C14 | H14A | 108.9° | 109.4° |
| C18 | C20 | O32 | 121.0° | 120.5° |
| C20 | C18 | O31 | 119.6° | 120.8° |
| C11 | C21 | C19 | 119.8° | 120.0° |
| C11 | C21 | N28 | 123.0° | 120.0° |
| C21 | C11 | N26 | 123.1° | 120.1° |
| C21 | C11 | H11 | 118.4° | 119.9° |
| C19 | C21 | N28 | 117.2° | 120.0° |
| C21 | C19 | C9 | 130.1° | 126.2° |
| C21 | C19 | C12 | 124.4° | 126.2° |
| C21 | N28 | C23 | 113.4° | 119.9° |
| C23 | C22 | N24 | 118.2° | 120.0° |
| C23 | C22 | N26 | 121.7° | 120.0° |
| C22 | C23 | N28 | 124.2° | 119.9° |
| C22 | C23 | O33 | 116.9° | 120.1° |
| N24 | C22 | N26 | 120.1° | 120.0° |
| C22 | N24 | HN24 | 109.5° | 119.9° |
| C22 | N24 | HN2A | 109.5° | 120.0° |
| C22 | N26 | C11 | 114.6° | 120.1° |
| C1 | N29 | C12 | 125.3° | 125.9° |
| C1 | N29 | N27 | 120.0° | 125.9° |
| N29 | C1 | H1 | 109.5° | 109.5° |
| N29 | C1 | H1A | 109.4° | 109.4° |
| N29 | C1 | H1B | 109.5° | 109.5° |
| C2 | O30 | C16 | 105.9° | 116.9° |
| O30 | C2 | H2 | 109.5° | 109.4° |
| O30 | C2 | H2A | 109.5° | 109.5° |
| O30 | C2 | H2B | 109.4° | 109.5° |
| C3 | O31 | C18 | 106.8° | 117.0° |
| O31 | C3 | H3 | 109.5° | 109.5° |
| O31 | C3 | H3A | 109.5° | 109.5° |
| O31 | C3 | H3B | 109.5° | 109.5° |
| C19 | C9 | N27 | 111.9° | 108.1° |
| C9 | C19 | C12 | 105.4° | 107.6° |
| C19 | C9 | H9 | 124.1° | 126.0° |
| C9 | N27 | N29 | 103.1° | 108.6° |
| N27 | C9 | H9 | 124.0° | 125.9° |
| N26 | C11 | H11 | 118.5° | 119.9° |
| C19 | C12 | N29 | 104.8° | 107.6° |
| C19 | C12 | H12 | 127.6° | 126.2° |
| C12 | N29 | N27 | 114.7° | 108.2° |
| N29 | C12 | H12 | 127.6° | 126.2° |
| C14 | O33 | C23 | 105.3° | 117.0° |
| O33 | C14 | H14 | 108.9° | 109.5° |
| O33 | C14 | H14A | 108.9° | 109.5° |
| N28 | C23 | O33 | 118.9° | 120.1° |
| H13 | C13 | H13A | 109.0° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H2 | C2 | H2B | 109.5° | 109.5° |
| H2A | C2 | H2B | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.4° |
| H3A | C3 | H3B | 109.4° | 109.5° |
| H14 | C14 | H14A | 110.1° | 109.5° |
| HN24 | N24 | HN2A | 109.5° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C4 | C15 | H4 | 180.0° | 179.8° |
| C6 | C4 | C15 | C5 | 0.2° | 0.0° |
| C4 | C6 | C16 | H6 | 180.0° | 179.9° |
| C4 | C6 | C16 | C7 | 0.4° | 0.1° |
| C6 | C4 | C15 | C13 | 180.0° | 180.0° |
| C4 | C6 | C16 | O30 | 179.8° | 180.0° |
| C4 | C15 | C5 | C7 | 0.1° | 0.0° |
| C4 | C15 | C5 | C13 | 179.9° | 180.0° |
| C15 | C4 | C6 | C16 | 0.1° | 0.1° |
| C4 | C15 | C13 | O32 | 158.4° | 90.0° |
| C4 | C15 | C5 | H5 | 179.9° | 180.0° |
| C15 | C4 | C6 | H6 | 179.9° | 180.0° |
| C4 | C15 | C13 | H13 | 81.6° | 150.0° |
| C4 | C15 | C13 | H13A | 38.4° | 30.0° |
| C7 | C5 | C15 | H5 | 180.0° | 180.0° |
| C5 | C7 | C16 | C6 | 0.4° | 0.1° |
| C5 | C7 | C16 | H7 | 180.0° | 179.9° |
| C7 | C5 | C15 | C13 | 180.0° | 180.0° |
| C5 | C7 | C16 | O30 | 179.8° | 180.0° |
| C15 | C5 | C7 | C16 | 0.2° | 0.1° |
| C5 | C15 | C13 | O32 | 21.8° | 90.0° |
| C5 | C15 | C4 | H4 | 179.9° | 179.7° |
| C15 | C5 | C7 | H7 | 179.8° | 179.9° |
| C5 | C15 | C13 | H13 | 98.3° | 30.0° |
| C5 | C15 | C13 | H13A | 141.8° | 150.0° |
| C6 | C16 | C7 | O30 | 179.4° | 179.9° |
| C6 | C16 | O30 | C2 | 94.6° | 179.9° |
| C16 | C6 | C4 | H4 | 179.9° | 179.7° |
| C6 | C16 | C7 | H7 | 179.6° | 180.0° |
| C7 | C16 | O30 | C2 | 86.0° | 0.1° |
| C16 | C7 | C5 | H5 | 179.8° | 180.0° |
| C7 | C16 | C6 | H6 | 179.7° | 179.9° |
| C17 | C8 | C18 | H8 | 180.0° | 179.7° |
| C8 | C17 | N25 | C10 | 0.2° | 0.0° |
| C8 | C17 | C14 | N25 | 179.5° | 180.0° |
| C17 | C8 | C18 | C20 | 0.1° | 0.0° |
| C8 | C17 | C14 | O33 | 114.7° | 0.0° |
| C17 | C8 | C18 | O31 | 179.9° | 180.0° |
| C8 | C17 | C14 | H14 | 5.3° | 120.0° |
| C8 | C17 | C14 | H14A | 125.3° | 120.0° |
| C8 | C18 | C20 | C10 | 0.4° | 0.0° |
| C18 | C8 | C17 | C14 | 179.7° | 180.0° |
| C18 | C8 | C17 | N25 | 0.2° | 0.0° |
| C8 | C18 | C20 | O31 | 180.0° | 180.0° |
| C8 | C18 | C20 | O32 | 179.3° | 180.0° |
| C8 | C18 | O31 | C3 | 15.9° | 0.0° |
| C20 | C10 | N25 | H10 | 180.0° | 180.0° |
| C10 | C20 | O32 | C13 | 93.2° | 0.0° |
| C20 | C10 | N25 | C17 | 0.1° | 0.0° |
| C10 | C20 | C18 | O32 | 178.9° | 179.9° |
| C10 | C20 | C18 | O31 | 179.6° | 180.0° |
| C10 | N25 | C17 | C14 | 179.7° | 180.0° |
| N25 | C10 | C20 | C18 | 0.4° | 0.0° |
| N25 | C10 | C20 | O32 | 179.4° | 180.0° |
| C15 | C13 | O32 | H13 | 120.0° | 120.0° |
| C15 | C13 | O32 | H13A | 120.0° | 120.0° |
| C15 | C13 | O32 | C20 | 158.8° | 180.0° |
| C13 | C15 | C4 | H4 | 0.0° | 0.2° |
| C13 | C15 | C5 | H5 | 0.0° | 0.0° |
| C15 | C13 | H13 | H13A | 120.6° | 120.1° |
| C13 | O32 | C20 | C18 | 87.9° | 179.9° |
| O32 | C13 | H13 | H13A | 120.6° | 120.0° |
| C17 | C14 | O33 | H14 | 120.0° | 120.0° |
| C17 | C14 | O33 | H14A | 120.0° | 120.0° |
| C17 | C14 | O33 | C23 | 127.6° | 180.0° |
| C14 | C17 | C8 | H8 | 0.3° | 0.3° |
| C17 | C14 | H14 | H14A | 119.3° | 120.0° |
| N25 | C17 | C14 | O33 | 65.8° | 180.0° |
| N25 | C17 | C8 | H8 | 179.8° | 179.8° |
| C17 | N25 | C10 | H10 | 179.9° | 180.0° |
| N25 | C17 | C14 | H14 | 174.2° | 60.0° |
| N25 | C17 | C14 | H14A | 54.2° | 60.0° |
| C20 | C18 | O31 | C3 | 164.0° | 180.0° |
| C20 | C18 | C8 | H8 | 179.9° | 179.8° |
| C18 | C20 | C10 | H10 | 179.6° | 180.0° |
| O32 | C20 | C18 | O31 | 0.7° | 0.0° |
| O32 | C20 | C10 | H10 | 0.6° | 0.0° |
| C20 | O32 | C13 | H13 | 81.2° | 60.0° |
| C20 | O32 | C13 | H13A | 38.8° | 60.0° |
| C11 | C21 | C19 | N28 | 179.1° | 179.7° |
| C21 | C11 | N26 | C22 | 0.2° | 0.0° |
| C11 | C21 | C19 | C9 | 148.7° | 5.0° |
| C21 | C11 | N26 | H11 | 180.0° | 179.9° |
| C11 | C21 | C19 | C12 | 30.3° | 175.0° |
| C11 | C21 | N28 | C23 | 0.1° | 0.1° |
| C21 | C19 | C9 | C12 | 179.1° | 180.0° |
| C21 | C19 | C9 | N27 | 179.1° | 180.0° |
| C19 | C21 | C11 | N26 | 178.7° | 180.0° |
| C21 | C19 | C12 | N29 | 179.3° | 180.0° |
| C19 | C21 | N28 | C23 | 178.9° | 179.8° |
| C21 | C19 | C9 | H9 | 0.9° | 0.2° |
| C19 | C21 | C11 | H11 | 1.3° | 0.0° |
| C21 | C19 | C12 | H12 | 0.7° | 0.0° |
| C21 | N28 | C23 | C22 | 0.1° | 0.4° |
| N28 | C21 | C19 | C9 | 30.4° | 174.7° |
| N28 | C21 | C11 | N26 | 0.3° | 0.3° |
| N28 | C21 | C19 | C12 | 150.7° | 5.3° |
| C21 | N28 | C23 | O33 | 179.9° | 179.5° |
| N28 | C21 | C11 | H11 | 179.7° | 179.7° |
| C23 | C22 | N24 | N26 | 180.0° | 179.2° |
| C23 | C22 | N26 | C11 | 0.0° | 0.5° |
| C22 | C23 | O33 | C14 | 132.0° | 179.9° |
| C22 | C23 | N28 | O33 | 179.9° | 179.9° |
| C23 | C22 | N24 | HN24 | 180.0° | 0.1° |
| C23 | C22 | N24 | HN2A | 60.1° | 180.0° |
| N24 | C22 | N26 | C11 | 180.0° | 179.8° |
| N24 | C22 | C23 | N28 | 179.8° | 180.0° |
| N24 | C22 | C23 | O33 | 0.0° | 0.1° |
| C22 | N24 | HN24 | HN2A | 120.0° | 179.9° |
| N26 | C22 | C23 | N28 | 0.1° | 0.7° |
| N26 | C22 | C23 | O33 | 180.0° | 179.2° |
| C22 | N26 | C11 | H11 | 179.8° | 180.0° |
| N26 | C22 | N24 | HN24 | 0.0° | 179.1° |
| N26 | C22 | N24 | HN2A | 120.0° | 0.8° |
| C1 | N29 | N27 | C9 | 179.8° | 180.0° |
| C1 | N29 | C12 | C19 | 179.8° | 180.0° |
| C1 | N29 | C12 | N27 | 179.6° | 179.9° |
| N29 | C1 | H1 | H1A | 120.0° | 120.0° |
| N29 | C1 | H1 | H1B | 120.0° | 120.0° |
| N29 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | N29 | C12 | H12 | 0.2° | 0.0° |
| O30 | C2 | H2 | H2A | 120.0° | 120.0° |
| O30 | C2 | H2 | H2B | 120.0° | 120.0° |
| O30 | C2 | H2A | H2B | 120.0° | 120.0° |
| O31 | C3 | H3 | H3A | 120.0° | 120.0° |
| O31 | C3 | H3 | H3B | 120.0° | 120.0° |
| O31 | C3 | H3A | H3B | 120.0° | 120.0° |
| C19 | C9 | N27 | H9 | 180.0° | 179.8° |
| C9 | C19 | C12 | N29 | 0.1° | 0.0° |
| C19 | C9 | N27 | N29 | 0.1° | 0.1° |
| C9 | C19 | C12 | H12 | 179.8° | 180.0° |
| N27 | C9 | C19 | C12 | 0.0° | 0.0° |
| C9 | N27 | N29 | C12 | 0.2° | 0.1° |
| C19 | C12 | N29 | H12 | 180.0° | 180.0° |
| C19 | C12 | N29 | N27 | 0.2° | 0.0° |
| C12 | C19 | C9 | H9 | 180.0° | 179.8° |
| C12 | N29 | C1 | H1 | 179.5° | 90.0° |
| C12 | N29 | C1 | H1A | 60.5° | 150.0° |
| C12 | N29 | C1 | H1B | 59.5° | 30.0° |
| C14 | O33 | C23 | N28 | 47.9° | 0.0° |
| O33 | C14 | H14 | H14A | 119.3° | 120.1° |
| O30 | C16 | C6 | H6 | 0.2° | 0.0° |
| O30 | C16 | C7 | H7 | 0.2° | 0.1° |
| C16 | O30 | C2 | H2 | 180.0° | 180.0° |
| C16 | O30 | C2 | H2A | 60.0° | 60.0° |
| C16 | O30 | C2 | H2B | 60.0° | 60.0° |
| O31 | C18 | C8 | H8 | 0.0° | 0.3° |
| C18 | O31 | C3 | H3 | 180.0° | 60.0° |
| C18 | O31 | C3 | H3A | 60.0° | 180.0° |
| C18 | O31 | C3 | H3B | 60.0° | 60.0° |
| C23 | O33 | C14 | H14 | 7.6° | 60.0° |
| C23 | O33 | C14 | H14A | 112.3° | 60.0° |
| N27 | N29 | C1 | H1 | 0.0° | 90.1° |
| N27 | N29 | C1 | H1A | 120.0° | 30.0° |
| N27 | N29 | C1 | H1B | 120.0° | 149.9° |
| N29 | N27 | C9 | H9 | 179.9° | 179.8° |
| N27 | N29 | C12 | H12 | 179.7° | 180.0° |
| H4 | C4 | C6 | H6 | 0.1° | 0.3° |
| H5 | C5 | C7 | H7 | 0.2° | 0.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H2 | C2 | H2A | H2B | 120.0° | 120.1° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
