LC4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | doub | 1.21Å | 1.25Å | |
| C2 | C3 | sing | 1.51Å | 1.54Å | |
| C2 | O17 | sing | 1.34Å | 1.26Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | C18 | sing | 1.53Å | 1.53Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | C8 | sing | 1.53Å | 1.54Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| N12 | C13 | sing | 1.37Å | 1.35Å | Aromatic |
| N12 | C16 | sing | 1.35Å | 1.34Å | Aromatic |
| C13 | C14 | doub | 1.35Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | N15 | sing | 1.34Å | 1.34Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | N15 | doub | 1.31Å | 1.35Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C2 | C3 | 120.9° | 120.0° |
| O1 | C2 | O17 | 118.7° | 120.0° |
| C3 | C2 | O17 | 120.3° | 120.0° |
| C2 | C3 | C4 | 118.5° | 109.5° |
| C2 | C3 | H3 | 106.6° | 109.5° |
| C2 | C3 | H3A | 106.6° | 109.5° |
| C2 | O17 | HO17 | 109.5° | 117.0° |
| C4 | C3 | H3 | 106.6° | 109.5° |
| C4 | C3 | H3A | 106.6° | 109.4° |
| C3 | C4 | C5 | 110.7° | 109.5° |
| C3 | C4 | H4 | 109.1° | 109.5° |
| C3 | C4 | H4A | 109.1° | 109.5° |
| H3 | C3 | H3A | 112.2° | 109.5° |
| C5 | C4 | H4 | 109.1° | 109.5° |
| C5 | C4 | H4A | 109.1° | 109.4° |
| C4 | C5 | C6 | 114.3° | 109.5° |
| C4 | C5 | H5 | 107.9° | 109.5° |
| C4 | C5 | H5A | 107.9° | 109.5° |
| H4 | C4 | H4A | 109.8° | 109.5° |
| C6 | C5 | H5 | 107.9° | 109.5° |
| C6 | C5 | H5A | 107.9° | 109.4° |
| C5 | C6 | C7 | 110.7° | 109.5° |
| C5 | C6 | H6 | 109.1° | 109.5° |
| C5 | C6 | H6A | 109.0° | 109.5° |
| H5 | C5 | H5A | 111.0° | 109.5° |
| C7 | C6 | H6 | 109.1° | 109.4° |
| C7 | C6 | H6A | 109.1° | 109.5° |
| C6 | C7 | C18 | 116.2° | 109.5° |
| C6 | C7 | H7 | 107.3° | 109.5° |
| C6 | C7 | H7A | 107.3° | 109.5° |
| H6 | C6 | H6A | 109.9° | 109.5° |
| C18 | C7 | H7 | 107.3° | 109.4° |
| C18 | C7 | H7A | 107.3° | 109.5° |
| C7 | C18 | C19 | 110.7° | 109.5° |
| C7 | C18 | H18 | 109.1° | 109.5° |
| C7 | C18 | H18A | 109.1° | 109.5° |
| H7 | C7 | H7A | 111.6° | 109.5° |
| C19 | C18 | H18 | 109.1° | 109.5° |
| C19 | C18 | H18A | 109.1° | 109.5° |
| C18 | C19 | C8 | 115.4° | 109.5° |
| C18 | C19 | H19 | 107.6° | 109.5° |
| C18 | C19 | H19A | 107.5° | 109.5° |
| H18 | C18 | H18A | 109.8° | 109.5° |
| C8 | C19 | H19 | 107.5° | 109.4° |
| C8 | C19 | H19A | 107.6° | 109.5° |
| C19 | C8 | C9 | 112.3° | 109.5° |
| C19 | C8 | H8 | 108.5° | 109.5° |
| C19 | C8 | H8A | 108.5° | 109.5° |
| H19 | C19 | H19A | 111.3° | 109.4° |
| C9 | C8 | H8 | 108.5° | 109.5° |
| C9 | C8 | H8A | 108.5° | 109.5° |
| C8 | C9 | C10 | 116.7° | 109.5° |
| C8 | C9 | H9 | 107.1° | 109.5° |
| C8 | C9 | H9A | 107.1° | 109.5° |
| H8 | C8 | H8A | 110.4° | 109.5° |
| C10 | C9 | H9 | 107.1° | 109.4° |
| C10 | C9 | H9A | 107.1° | 109.5° |
| C9 | C10 | C11 | 113.7° | 109.5° |
| C9 | C10 | H10 | 108.1° | 109.5° |
| C9 | C10 | H10A | 108.1° | 109.5° |
| H9 | C9 | H9A | 111.7° | 109.5° |
| C11 | C10 | H10 | 108.1° | 109.4° |
| C11 | C10 | H10A | 108.1° | 109.5° |
| C10 | C11 | N12 | 118.0° | 109.5° |
| C10 | C11 | H11 | 106.7° | 109.5° |
| C10 | C11 | H11A | 106.7° | 109.5° |
| H10 | C10 | H10A | 110.8° | 109.4° |
| N12 | C11 | H11 | 106.7° | 109.4° |
| N12 | C11 | H11A | 106.7° | 109.4° |
| C11 | N12 | C13 | 127.5° | 126.4° |
| C11 | N12 | C16 | 125.2° | 126.4° |
| H11 | C11 | H11A | 112.1° | 109.5° |
| C13 | N12 | C16 | 107.4° | 107.2° |
| N12 | C13 | C14 | 108.8° | 106.8° |
| N12 | C13 | H13 | 125.6° | 126.6° |
| N12 | C16 | N15 | 108.6° | 108.7° |
| N12 | C16 | H16 | 125.7° | 125.6° |
| C14 | C13 | H13 | 125.6° | 126.6° |
| C13 | C14 | N15 | 106.4° | 108.0° |
| C13 | C14 | H14 | 126.8° | 126.0° |
| N15 | C14 | H14 | 126.8° | 126.0° |
| C14 | N15 | C16 | 108.8° | 109.2° |
| N15 | C16 | H16 | 125.7° | 125.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | O17 | 178.2° | 179.8° |
| O1 | C2 | O17 | HO17 | 0.0° | 0.1° |
| O1 | C2 | C3 | C4 | 73.6° | 0.1° |
| O1 | C2 | C3 | H3 | 166.4° | 119.9° |
| O1 | C2 | C3 | H3A | 46.4° | 120.0° |
| C3 | C2 | O17 | HO17 | 178.2° | 179.8° |
| C2 | C3 | C4 | H3 | 120.0° | 120.1° |
| C2 | C3 | C4 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3A | 116.3° | 120.0° |
| C2 | C3 | C4 | C5 | 106.2° | 180.0° |
| C2 | C3 | C4 | H4 | 133.8° | 60.0° |
| C2 | C3 | C4 | H4A | 13.8° | 60.1° |
| O17 | C2 | C3 | C4 | 108.2° | 179.7° |
| O17 | C2 | C3 | H3 | 11.8° | 60.3° |
| O17 | C2 | C3 | H3A | 131.7° | 59.8° |
| C4 | C3 | H3 | H3A | 116.3° | 119.9° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 119.5° | 120.0° |
| C3 | C4 | C5 | C6 | 113.2° | NaN° |
| C3 | C4 | C5 | H5 | 126.8° | 60.0° |
| C3 | C4 | C5 | H5A | 6.8° | 60.1° |
| H3 | C3 | C4 | C5 | 13.9° | 59.9° |
| H3 | C3 | C4 | H4 | 106.2° | 180.0° |
| H3 | C3 | C4 | H4A | 133.9° | 60.0° |
| H3A | C3 | C4 | C5 | 133.8° | 60.0° |
| H3A | C3 | C4 | H4 | 13.8° | 60.0° |
| H3A | C3 | C4 | H4A | 106.2° | 180.0° |
| C5 | C4 | H4 | H4A | 119.5° | 120.0° |
| C4 | C5 | C6 | H5 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5A | 120.0° | 119.9° |
| C4 | C5 | H5 | H5A | 118.0° | 120.0° |
| C4 | C5 | C6 | C7 | 169.6° | 180.0° |
| C4 | C5 | C6 | H6 | 49.6° | 60.0° |
| C4 | C5 | C6 | H6A | 70.4° | 60.1° |
| H4 | C4 | C5 | C6 | 6.8° | 60.0° |
| H4 | C4 | C5 | H5 | 113.2° | NaN° |
| H4 | C4 | C5 | H5A | 126.8° | 60.0° |
| H4A | C4 | C5 | C6 | 126.8° | 60.0° |
| H4A | C4 | C5 | H5 | 6.8° | 60.0° |
| H4A | C4 | C5 | H5A | 113.2° | 179.9° |
| C6 | C5 | H5 | H5A | 118.0° | 120.0° |
| C5 | C6 | C7 | H6 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 119.5° | 120.0° |
| C5 | C6 | C7 | C18 | 171.3° | 180.0° |
| C5 | C6 | C7 | H7 | 68.6° | 60.0° |
| C5 | C6 | C7 | H7A | 51.3° | 60.0° |
| H5 | C5 | C6 | C7 | 70.4° | 60.0° |
| H5 | C5 | C6 | H6 | 169.6° | 180.0° |
| H5 | C5 | C6 | H6A | 49.6° | 60.0° |
| H5A | C5 | C6 | C7 | 49.6° | 60.0° |
| H5A | C5 | C6 | H6 | 70.4° | 60.0° |
| H5A | C5 | C6 | H6A | 169.6° | 180.0° |
| C7 | C6 | H6 | H6A | 119.5° | 120.0° |
| C6 | C7 | C18 | H7 | 120.0° | 120.0° |
| C6 | C7 | C18 | H7A | 120.0° | 120.1° |
| C6 | C7 | H7 | H7A | 117.2° | 120.0° |
| C6 | C7 | C18 | C19 | 161.1° | 180.0° |
| C6 | C7 | C18 | H18 | 41.1° | 60.0° |
| C6 | C7 | C18 | H18A | 78.9° | 60.0° |
| H6 | C6 | C7 | C18 | 51.3° | 60.0° |
| H6 | C6 | C7 | H7 | 171.3° | 179.9° |
| H6 | C6 | C7 | H7A | 68.7° | 60.0° |
| H6A | C6 | C7 | C18 | 68.7° | 60.0° |
| H6A | C6 | C7 | H7 | 51.3° | 60.0° |
| H6A | C6 | C7 | H7A | 171.3° | 180.0° |
| C18 | C7 | H7 | H7A | 117.2° | 120.0° |
| C7 | C18 | C19 | H18 | 120.0° | 120.0° |
| C7 | C18 | C19 | H18A | 120.0° | 120.0° |
| C7 | C18 | H18 | H18A | 119.5° | 120.0° |
| C7 | C18 | C19 | C8 | 165.9° | NaN° |
| C7 | C18 | C19 | H19 | 74.1° | 60.0° |
| C7 | C18 | C19 | H19A | 45.8° | 60.0° |
| H7 | C7 | C18 | C19 | 78.9° | 60.0° |
| H7 | C7 | C18 | H18 | 161.1° | 180.0° |
| H7 | C7 | C18 | H18A | 41.1° | 60.0° |
| H7A | C7 | C18 | C19 | 41.1° | 59.9° |
| H7A | C7 | C18 | H18 | 78.9° | 60.0° |
| H7A | C7 | C18 | H18A | 161.1° | 180.0° |
| C19 | C18 | H18 | H18A | 119.5° | 120.0° |
| C18 | C19 | C8 | H19 | 120.0° | 120.0° |
| C18 | C19 | C8 | H19A | 120.0° | 120.1° |
| C18 | C19 | H19 | H19A | 117.5° | 120.1° |
| C18 | C19 | C8 | C9 | 126.4° | NaN° |
| C18 | C19 | C8 | H8 | 6.4° | 60.0° |
| C18 | C19 | C8 | H8A | 113.6° | 60.0° |
| H18 | C18 | C19 | C8 | 45.9° | 60.0° |
| H18 | C18 | C19 | H19 | 165.9° | 180.0° |
| H18 | C18 | C19 | H19A | 74.2° | 60.0° |
| H18A | C18 | C19 | C8 | 74.1° | 60.0° |
| H18A | C18 | C19 | H19 | 45.9° | 60.0° |
| H18A | C18 | C19 | H19A | 165.9° | 180.0° |
| C8 | C19 | H19 | H19A | 117.6° | 120.0° |
| C19 | C8 | C9 | H8 | 120.0° | 120.0° |
| C19 | C8 | C9 | H8A | 120.0° | 120.0° |
| C19 | C8 | H8 | H8A | 118.8° | 120.0° |
| C19 | C8 | C9 | C10 | 128.8° | NaN° |
| C19 | C8 | C9 | H9 | 8.8° | 60.0° |
| C19 | C8 | C9 | H9A | 111.1° | 60.0° |
| H19 | C19 | C8 | C9 | 113.6° | 60.0° |
| H19 | C19 | C8 | H8 | 126.5° | 180.0° |
| H19 | C19 | C8 | H8A | 6.5° | 60.0° |
| H19A | C19 | C8 | C9 | 6.4° | 59.9° |
| H19A | C19 | C8 | H8 | 113.6° | 60.0° |
| H19A | C19 | C8 | H8A | 126.4° | 179.9° |
| C9 | C8 | H8 | H8A | 118.8° | 120.0° |
| C8 | C9 | C10 | H9 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9A | 120.0° | 120.0° |
| C8 | C9 | H9 | H9A | 117.0° | 120.1° |
| C8 | C9 | C10 | C11 | 129.7° | 180.0° |
| C8 | C9 | C10 | H10 | 110.3° | 60.0° |
| C8 | C9 | C10 | H10A | 9.7° | 60.0° |
| H8 | C8 | C9 | C10 | 111.2° | 60.0° |
| H8 | C8 | C9 | H9 | 128.8° | 180.0° |
| H8 | C8 | C9 | H9A | 8.9° | 60.0° |
| H8A | C8 | C9 | C10 | 8.8° | 60.0° |
| H8A | C8 | C9 | H9 | 111.2° | 60.0° |
| H8A | C8 | C9 | H9A | 128.8° | 180.0° |
| C10 | C9 | H9 | H9A | 117.0° | 120.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 120.0° | 120.1° |
| C9 | C10 | H10 | H10A | 118.3° | 120.0° |
| C9 | C10 | C11 | N12 | 81.8° | 180.0° |
| C9 | C10 | C11 | H11 | 158.3° | 60.0° |
| C9 | C10 | C11 | H11A | 38.2° | 60.0° |
| H9 | C9 | C10 | C11 | 9.7° | 60.0° |
| H9 | C9 | C10 | H10 | 129.7° | 180.0° |
| H9 | C9 | C10 | H10A | 110.4° | 60.0° |
| H9A | C9 | C10 | C11 | 110.3° | 60.0° |
| H9A | C9 | C10 | H10 | 9.7° | 60.0° |
| H9A | C9 | C10 | H10A | 129.7° | 180.0° |
| C11 | C10 | H10 | H10A | 118.3° | 120.0° |
| C10 | C11 | N12 | H11 | 120.0° | 120.0° |
| C10 | C11 | N12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 116.5° | 120.0° |
| C10 | C11 | N12 | C13 | 35.0° | 90.0° |
| C10 | C11 | N12 | C16 | 146.3° | 90.3° |
| H10 | C10 | C11 | N12 | 38.2° | 60.0° |
| H10 | C10 | C11 | H11 | 81.8° | 180.0° |
| H10 | C10 | C11 | H11A | 158.2° | 60.0° |
| H10A | C10 | C11 | N12 | 158.2° | 59.9° |
| H10A | C10 | C11 | H11 | 38.2° | 60.0° |
| H10A | C10 | C11 | H11A | 81.8° | 179.9° |
| N12 | C11 | H11 | H11A | 116.5° | 119.9° |
| C11 | N12 | C13 | C16 | 178.8° | 179.8° |
| C11 | N12 | C13 | C14 | 179.6° | 180.0° |
| C11 | N12 | C13 | H13 | 0.4° | 0.0° |
| C11 | N12 | C16 | N15 | 179.6° | 179.8° |
| C11 | N12 | C16 | H16 | 0.4° | 0.1° |
| H11 | C11 | N12 | C13 | 155.0° | 30.1° |
| H11 | C11 | N12 | C16 | 26.3° | 149.7° |
| H11A | C11 | N12 | C13 | 85.0° | 150.0° |
| H11A | C11 | N12 | C16 | 93.7° | 29.7° |
| N12 | C13 | C14 | H13 | 180.0° | 180.0° |
| N12 | C13 | C14 | N15 | 0.5° | 0.0° |
| N12 | C13 | C14 | H14 | 179.5° | 180.0° |
| C13 | N12 | C16 | N15 | 0.7° | 0.4° |
| C13 | N12 | C16 | H16 | 179.3° | 179.7° |
| C16 | N12 | C13 | C14 | 0.8° | 0.2° |
| C16 | N12 | C13 | H13 | 179.2° | 179.8° |
| N12 | C16 | N15 | C14 | 0.4° | 0.4° |
| N12 | C16 | N15 | H16 | 180.0° | 179.9° |
| C13 | C14 | N15 | H14 | 180.0° | 180.0° |
| C13 | C14 | N15 | C16 | 0.1° | 0.3° |
| H13 | C13 | C14 | N15 | 179.5° | 180.0° |
| H13 | C13 | C14 | H14 | 0.5° | 0.0° |
| C14 | N15 | C16 | H16 | 179.6° | 179.7° |
| H14 | C14 | N15 | C16 | 179.9° | 179.7° |
