LUS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | O | sing | 1.43Å | 1.41Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| O | C10 | sing | 1.43Å | 1.39Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | N | sing | 1.47Å | 1.52Å | |
| C11 | N | sing | 1.47Å | 1.53Å | |
| N | C5 | sing | 1.47Å | 1.59Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C7 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C | H13 | sing | 1.09Å | 1.10Å | |
| C | H14 | sing | 1.09Å | 1.10Å | |
| C | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C3 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.09Å | 1.10Å | |
| C9 | H23 | sing | 1.09Å | 1.10Å | |
| C9 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C9 | C8 | 112.8° | 109.3° |
| C9 | O | C10 | 116.8° | 113.7° |
| O | C9 | H23 | 108.6° | 109.5° |
| O | C9 | H24 | 108.7° | 109.5° |
| C9 | C8 | N | 107.1° | 109.3° |
| C9 | C8 | H8 | 110.1° | 109.5° |
| C9 | C8 | H9 | 110.0° | 109.5° |
| C8 | C9 | H23 | 108.6° | 109.5° |
| C8 | C9 | H24 | 108.6° | 109.6° |
| O | C10 | C11 | 108.9° | 109.2° |
| O | C10 | H10 | 109.6° | 109.5° |
| O | C10 | H11 | 109.6° | 109.6° |
| C10 | C11 | N | 112.8° | 109.2° |
| C11 | C10 | H10 | 109.6° | 109.5° |
| C11 | C10 | H11 | 109.6° | 109.5° |
| C10 | C11 | H18 | 108.6° | 109.5° |
| C10 | C11 | H19 | 108.6° | 109.5° |
| C8 | N | C11 | 109.3° | 110.8° |
| C8 | N | C5 | 112.9° | 111.0° |
| N | C8 | H8 | 110.1° | 109.5° |
| N | C8 | H9 | 110.1° | 109.5° |
| C11 | N | C5 | 109.4° | 111.0° |
| N | C11 | H18 | 108.6° | 109.5° |
| N | C11 | H19 | 108.6° | 109.5° |
| N | C5 | C6 | 114.1° | 109.5° |
| N | C5 | C4 | 108.9° | 109.5° |
| N | C5 | H3 | 107.6° | 109.4° |
| C5 | C6 | C7 | 106.0° | 109.5° |
| C6 | C5 | C4 | 109.5° | 109.5° |
| C6 | C5 | H3 | 107.9° | 109.5° |
| C5 | C6 | H4 | 110.3° | 109.4° |
| C5 | C6 | H5 | 110.3° | 109.5° |
| C6 | C7 | C2 | 107.7° | 109.4° |
| C7 | C6 | H4 | 110.3° | 109.5° |
| C7 | C6 | H5 | 110.3° | 109.5° |
| C6 | C7 | H6 | 109.9° | 109.5° |
| C6 | C7 | H7 | 109.9° | 109.5° |
| C5 | C4 | C3 | 107.3° | 109.5° |
| C5 | C4 | H1 | 110.0° | 109.4° |
| C5 | C4 | H2 | 110.0° | 109.5° |
| C4 | C5 | H3 | 108.5° | 109.4° |
| C7 | C2 | C3 | 109.5° | 109.5° |
| C7 | C2 | C1 | 110.4° | 109.4° |
| C2 | C7 | H6 | 109.9° | 109.5° |
| C2 | C7 | H7 | 109.9° | 109.5° |
| C7 | C2 | H20 | 109.8° | 109.5° |
| C4 | C3 | C2 | 112.2° | 109.5° |
| C3 | C4 | H1 | 110.0° | 109.5° |
| C3 | C4 | H2 | 110.1° | 109.5° |
| C4 | C3 | H21 | 108.8° | 109.4° |
| C4 | C3 | H22 | 108.8° | 109.4° |
| C3 | C2 | C1 | 107.1° | 109.5° |
| C3 | C2 | H20 | 109.9° | 109.5° |
| C2 | C3 | H21 | 108.8° | 109.5° |
| C2 | C3 | H22 | 108.8° | 109.5° |
| C2 | C1 | C | 112.7° | 109.4° |
| C2 | C1 | H16 | 108.6° | 109.5° |
| C2 | C1 | H17 | 108.6° | 109.5° |
| C1 | C2 | H20 | 110.1° | 109.5° |
| C1 | C | H13 | 109.5° | 109.5° |
| C1 | C | H14 | 109.5° | 109.5° |
| C1 | C | H15 | 109.5° | 109.4° |
| C | C1 | H16 | 108.7° | 109.5° |
| C | C1 | H17 | 108.7° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.4° | 109.4° |
| H6 | C7 | H7 | 109.4° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H13 | C | H14 | 109.5° | 109.5° |
| H13 | C | H15 | 109.4° | 109.4° |
| H14 | C | H15 | 109.5° | 109.5° |
| H16 | C1 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.6° |
| H21 | C3 | H22 | 109.5° | 109.5° |
| H23 | C9 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C9 | C8 | H23 | 120.5° | 119.9° |
| O | C9 | C8 | H24 | 120.5° | 120.0° |
| C9 | O | C10 | C11 | 64.4° | 58.7° |
| O | C9 | C8 | N | 36.6° | 56.8° |
| O | C9 | C8 | H8 | 83.0° | 176.8° |
| O | C9 | C8 | H9 | 156.3° | 63.2° |
| C9 | O | C10 | H10 | 175.6° | 61.3° |
| C9 | O | C10 | H11 | 55.5° | 178.6° |
| O | C9 | H23 | H24 | 118.5° | 120.1° |
| C8 | C9 | O | C10 | 27.6° | 58.7° |
| C9 | C8 | N | H8 | 119.6° | 120.0° |
| C9 | C8 | N | H9 | 119.6° | 120.0° |
| C9 | C8 | N | C11 | 62.5° | 58.6° |
| C9 | C8 | N | C5 | 175.4° | 177.6° |
| C9 | C8 | H8 | H9 | 121.1° | 120.1° |
| C8 | C9 | H23 | H24 | 118.5° | 120.1° |
| O | C10 | C11 | H10 | 119.9° | 120.0° |
| O | C10 | C11 | H11 | 119.9° | 120.0° |
| O | C10 | C11 | N | 32.6° | 56.9° |
| O | C10 | H10 | H11 | 120.3° | 120.2° |
| O | C10 | C11 | H18 | 87.9° | 176.8° |
| O | C10 | C11 | H19 | 153.1° | 63.1° |
| C10 | O | C9 | H23 | 92.9° | 61.3° |
| C10 | O | C9 | H24 | 148.1° | 178.7° |
| C10 | C11 | N | C8 | 28.1° | 58.6° |
| C10 | C11 | N | H18 | 120.5° | 119.9° |
| C10 | C11 | N | H19 | 120.5° | 119.9° |
| C10 | C11 | N | C5 | 152.2° | 177.6° |
| C11 | C10 | H10 | H11 | 120.3° | 120.0° |
| C10 | C11 | H18 | H19 | 118.5° | 120.1° |
| C8 | N | C11 | C5 | 124.1° | 123.8° |
| C8 | N | C5 | C6 | 27.1° | 60.0° |
| C8 | N | C5 | C4 | 95.7° | 180.0° |
| C8 | N | C5 | H3 | 146.8° | 60.0° |
| N | C8 | H8 | H9 | 121.1° | 120.1° |
| C8 | N | C11 | H18 | 148.6° | 178.5° |
| C8 | N | C11 | H19 | 92.4° | 61.3° |
| N | C8 | C9 | H23 | 157.1° | 63.1° |
| N | C8 | C9 | H24 | 83.9° | 176.8° |
| C11 | N | C5 | C6 | 94.9° | 176.4° |
| C11 | N | C5 | C4 | 142.3° | 56.3° |
| C11 | N | C5 | H3 | 24.9° | 63.6° |
| C11 | N | C8 | H8 | 57.1° | 178.6° |
| C11 | N | C8 | H9 | 177.9° | 61.4° |
| N | C11 | C10 | H10 | 152.5° | 63.1° |
| N | C11 | C10 | H11 | 87.3° | 176.8° |
| N | C11 | H18 | H19 | 118.5° | 120.1° |
| N | C5 | C6 | C4 | 122.4° | 120.0° |
| N | C5 | C6 | H3 | 119.6° | 120.0° |
| N | C5 | C6 | C7 | 171.1° | 180.0° |
| N | C5 | C4 | H3 | 116.9° | 119.9° |
| N | C5 | C4 | C3 | 172.3° | 180.0° |
| N | C5 | C4 | H1 | 68.1° | 60.0° |
| N | C5 | C4 | H2 | 52.6° | 60.0° |
| N | C5 | C6 | H4 | 51.6° | 60.0° |
| N | C5 | C6 | H5 | 69.4° | 60.0° |
| C5 | N | C8 | H8 | 64.9° | 57.7° |
| C5 | N | C8 | H9 | 55.8° | 62.4° |
| C5 | N | C11 | H18 | 87.3° | 57.7° |
| C5 | N | C11 | H19 | 31.7° | 62.5° |
| C5 | C6 | C7 | H4 | 119.5° | 120.0° |
| C5 | C6 | C7 | H5 | 119.5° | 120.1° |
| C6 | C5 | C4 | H3 | 117.6° | 120.1° |
| C5 | C6 | C7 | C2 | 64.0° | 60.0° |
| C6 | C5 | C4 | C3 | 62.2° | 60.0° |
| C6 | C5 | C4 | H1 | 57.4° | 60.0° |
| C6 | C5 | C4 | H2 | 178.1° | 180.0° |
| C5 | C6 | H4 | H5 | 121.6° | 120.0° |
| C5 | C6 | C7 | H6 | 55.7° | 59.9° |
| C5 | C6 | C7 | H7 | 176.3° | 180.0° |
| C7 | C6 | C5 | C4 | 66.4° | 60.0° |
| C6 | C7 | C2 | H6 | 119.7° | 120.0° |
| C6 | C7 | C2 | H7 | 119.7° | 120.0° |
| C6 | C7 | C2 | C3 | 60.7° | 60.0° |
| C6 | C7 | C2 | C1 | 178.4° | 180.0° |
| C7 | C6 | C5 | H3 | 51.5° | 60.0° |
| C7 | C6 | H4 | H5 | 121.6° | 120.0° |
| C6 | C7 | H6 | H7 | 120.8° | 120.0° |
| C6 | C7 | C2 | H20 | 60.0° | 60.0° |
| C5 | C4 | C3 | H1 | 119.6° | 119.9° |
| C5 | C4 | C3 | H2 | 119.6° | 120.0° |
| C5 | C4 | C3 | C2 | 58.3° | 60.0° |
| C5 | C4 | H1 | H2 | 121.0° | 120.0° |
| C4 | C5 | C6 | H4 | 174.1° | 180.0° |
| C4 | C5 | C6 | H5 | 53.0° | 60.0° |
| C5 | C4 | C3 | H21 | 178.7° | 180.0° |
| C5 | C4 | C3 | H22 | 62.1° | 60.1° |
| C7 | C2 | C3 | C4 | 58.4° | 60.0° |
| C7 | C2 | C3 | C1 | 119.7° | 119.9° |
| C7 | C2 | C3 | H20 | 120.7° | 120.0° |
| C7 | C2 | C1 | H20 | 121.4° | 120.0° |
| C7 | C2 | C1 | C | 83.1° | 175.0° |
| C2 | C7 | C6 | H4 | 176.5° | 180.0° |
| C2 | C7 | C6 | H5 | 55.5° | 60.0° |
| C2 | C7 | H6 | H7 | 120.8° | 120.0° |
| C7 | C2 | C1 | H16 | 156.4° | 55.0° |
| C7 | C2 | C1 | H17 | 37.4° | 65.0° |
| C7 | C2 | C3 | H21 | 178.8° | 180.0° |
| C7 | C2 | C3 | H22 | 62.0° | 60.0° |
| C4 | C3 | C2 | H21 | 120.4° | 120.0° |
| C4 | C3 | C2 | H22 | 120.4° | 120.0° |
| C4 | C3 | C2 | C1 | 178.1° | 180.0° |
| C3 | C4 | H1 | H2 | 121.1° | 120.1° |
| C3 | C4 | C5 | H3 | 55.4° | 60.1° |
| C4 | C3 | C2 | H20 | 62.3° | 60.0° |
| C4 | C3 | H21 | H22 | 118.7° | 119.9° |
| C3 | C2 | C1 | H20 | 119.4° | 120.1° |
| C3 | C2 | C1 | C | 157.7° | 65.0° |
| C2 | C3 | C4 | H1 | 61.4° | 59.9° |
| C2 | C3 | C4 | H2 | 177.9° | 180.0° |
| C3 | C2 | C7 | H6 | 59.1° | 59.9° |
| C3 | C2 | C7 | H7 | 179.6° | 180.0° |
| C3 | C2 | C1 | H16 | 37.3° | 175.0° |
| C3 | C2 | C1 | H17 | 81.8° | 55.0° |
| C2 | C3 | H21 | H22 | 118.8° | 120.1° |
| C2 | C1 | C | H16 | 120.5° | 120.0° |
| C2 | C1 | C | H17 | 120.5° | 120.0° |
| C1 | C2 | C7 | H6 | 58.7° | 60.0° |
| C1 | C2 | C7 | H7 | 61.8° | 60.0° |
| C2 | C1 | C | H13 | 180.0° | 60.0° |
| C2 | C1 | C | H14 | 60.0° | 60.0° |
| C2 | C1 | C | H15 | 60.0° | 180.0° |
| C2 | C1 | H16 | H17 | 118.5° | 120.0° |
| C1 | C2 | C3 | H21 | 61.4° | 60.1° |
| C1 | C2 | C3 | H22 | 57.8° | 60.0° |
| C1 | C | H13 | H14 | 120.0° | 120.1° |
| C1 | C | H13 | H15 | 120.0° | 120.0° |
| C1 | C | H14 | H15 | 120.0° | 120.0° |
| C | C1 | H16 | H17 | 118.6° | 120.0° |
| C | C1 | C2 | H20 | 38.3° | 55.0° |
| H1 | C4 | C5 | H3 | 175.0° | 180.0° |
| H1 | C4 | C3 | H21 | 59.0° | 60.1° |
| H1 | C4 | C3 | H22 | 178.2° | 180.0° |
| H2 | C4 | C5 | H3 | 64.3° | 60.0° |
| H2 | C4 | C3 | H21 | 61.7° | 60.0° |
| H2 | C4 | C3 | H22 | 57.5° | 60.0° |
| H3 | C5 | C6 | H4 | 67.9° | 60.0° |
| H3 | C5 | C6 | H5 | 171.0° | 180.0° |
| H4 | C6 | C7 | H6 | 63.7° | 60.0° |
| H4 | C6 | C7 | H7 | 56.8° | 60.0° |
| H5 | C6 | C7 | H6 | 175.2° | 180.0° |
| H5 | C6 | C7 | H7 | 64.3° | 60.0° |
| H6 | C7 | C2 | H20 | 179.8° | 180.0° |
| H7 | C7 | C2 | H20 | 59.7° | 60.0° |
| H8 | C8 | C9 | H23 | 37.5° | 56.9° |
| H8 | C8 | C9 | H24 | 156.5° | 63.2° |
| H9 | C8 | C9 | H23 | 83.2° | 176.9° |
| H9 | C8 | C9 | H24 | 35.8° | 56.8° |
| H10 | C10 | C11 | H18 | 32.0° | 56.8° |
| H10 | C10 | C11 | H19 | 87.0° | 177.0° |
| H11 | C10 | C11 | H18 | 152.2° | 63.3° |
| H11 | C10 | C11 | H19 | 33.2° | 56.9° |
| H13 | C | H14 | H15 | 120.0° | 120.0° |
| H13 | C | C1 | H16 | 59.5° | 59.9° |
| H13 | C | C1 | H17 | 59.6° | 180.0° |
| H14 | C | C1 | H16 | 179.5° | 180.0° |
| H14 | C | C1 | H17 | 60.5° | 60.0° |
| H15 | C | C1 | H16 | 60.4° | 60.0° |
| H15 | C | C1 | H17 | 179.5° | 60.0° |
| H16 | C1 | C2 | H20 | 82.2° | 65.0° |
| H17 | C1 | C2 | H20 | 158.8° | 175.0° |
| H20 | C2 | C3 | H21 | 58.2° | 60.0° |
| H20 | C2 | C3 | H22 | 177.4° | 180.0° |
