LK7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13A | sing | 1.09Å | 1.10Å | |
| C2 | C3 | doub | 1.33Å | 1.38Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.46Å | 1.45Å | |
| C3 | C5 | sing | 1.51Å | 1.56Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C9 | sing | 1.53Å | 1.60Å | |
| C5 | N1 | sing | 1.47Å | 1.50Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.39Å | 1.30Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C6 | C8 | doub | 1.32Å | 1.26Å | |
| C6 | C7 | sing | 1.48Å | 1.50Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C7 | O3 | sing | 1.35Å | 1.25Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C8 | C13 | sing | 1.51Å | 1.45Å | |
| C8 | C9 | sing | 1.52Å | 1.38Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.54Å | 1.55Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | O4 | sing | 1.43Å | 1.42Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O4 | C14 | sing | 1.43Å | 1.36Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.4° | 109.5° |
| C2 | C1 | H13A | 109.5° | 109.5° |
| C1 | C2 | C3 | 123.5° | 120.0° |
| C1 | C2 | H2 | 118.2° | 120.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13A | 109.5° | 109.5° |
| H12 | C1 | H13A | 109.5° | 109.5° |
| C3 | C2 | H2 | 118.3° | 120.0° |
| C2 | C3 | C4 | 118.5° | 120.0° |
| C2 | C3 | C5 | 119.9° | 120.0° |
| C4 | C3 | C5 | 121.3° | 120.0° |
| C3 | C4 | O1 | 115.7° | 120.0° |
| C3 | C4 | H4 | 122.2° | 120.0° |
| C3 | C5 | C9 | 111.3° | 110.5° |
| C3 | C5 | N1 | 102.0° | 110.5° |
| C3 | C5 | H5 | 107.7° | 110.5° |
| O1 | C4 | H4 | 122.2° | 120.0° |
| C9 | C5 | N1 | 86.7° | 104.1° |
| C9 | C5 | H5 | 119.6° | 110.5° |
| C5 | C9 | C8 | 96.5° | 103.9° |
| C5 | C9 | C10 | 122.3° | 112.2° |
| C5 | C9 | H9 | 111.9° | 111.1° |
| N1 | C5 | H5 | 127.2° | 110.6° |
| C5 | N1 | C6 | 102.3° | 109.2° |
| C5 | N1 | HN1 | 111.9° | 125.4° |
| C6 | N1 | HN1 | 111.9° | 125.4° |
| N1 | C6 | C8 | 108.9° | 113.2° |
| N1 | C6 | C7 | 123.1° | 123.4° |
| C8 | C6 | C7 | 127.5° | 123.4° |
| C6 | C8 | C13 | 129.6° | 129.6° |
| C6 | C8 | C9 | 109.1° | 109.0° |
| C6 | C7 | O2 | 123.7° | 120.0° |
| C6 | C7 | O3 | 118.0° | 120.0° |
| O2 | C7 | O3 | 118.3° | 120.1° |
| C7 | O3 | HO3 | 109.5° | 117.0° |
| C13 | C8 | C9 | 116.1° | 121.5° |
| C8 | C13 | C12 | 106.6° | 106.5° |
| C8 | C13 | O4 | 120.3° | 110.0° |
| C8 | C13 | H13 | 105.2° | 110.0° |
| C8 | C9 | C10 | 113.8° | 106.6° |
| C8 | C9 | H9 | 120.7° | 111.2° |
| C10 | C9 | H9 | 93.8° | 111.6° |
| C9 | C10 | C11 | 109.2° | 108.4° |
| C9 | C10 | H101 | 109.5° | 109.7° |
| C9 | C10 | H102 | 109.7° | 109.7° |
| C11 | C10 | H101 | 109.6° | 109.7° |
| C11 | C10 | H102 | 109.6° | 109.7° |
| C10 | C11 | C12 | 110.1° | 111.3° |
| C10 | C11 | H111 | 109.3° | 109.1° |
| C10 | C11 | H112 | 109.1° | 109.1° |
| H101 | C10 | H102 | 109.3° | 109.6° |
| C12 | C11 | H111 | 109.2° | 109.1° |
| C12 | C11 | H112 | 109.1° | 109.1° |
| C11 | C12 | C13 | 114.6° | 110.2° |
| C11 | C12 | H121 | 107.8° | 109.4° |
| C11 | C12 | H122 | 106.7° | 109.4° |
| H111 | C11 | H112 | 110.0° | 109.0° |
| C13 | C12 | H121 | 107.8° | 109.4° |
| C13 | C12 | H122 | 106.7° | 109.3° |
| C12 | C13 | O4 | 113.0° | 110.0° |
| C12 | C13 | H13 | 113.9° | 110.1° |
| H121 | C12 | H122 | 113.5° | 109.2° |
| O4 | C13 | H13 | 97.5° | 110.1° |
| C13 | O4 | C14 | 87.9° | 114.0° |
| O4 | C14 | H141 | 109.5° | 109.5° |
| O4 | C14 | H142 | 109.5° | 109.5° |
| O4 | C14 | H143 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H141 | C14 | H143 | 109.5° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13A | 120.0° | 120.0° |
| C2 | C1 | H12 | H13A | 120.0° | 120.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 125.1° | 180.0° |
| C1 | C2 | C3 | C5 | 60.9° | 0.0° |
| H11 | C1 | H12 | H13A | 120.0° | 120.1° |
| H11 | C1 | C2 | C3 | 158.9° | 60.0° |
| H11 | C1 | C2 | H2 | 21.1° | 120.0° |
| H12 | C1 | C2 | C3 | 38.9° | 60.0° |
| H12 | C1 | C2 | H2 | 141.1° | 120.0° |
| H13A | C1 | C2 | C3 | 81.1° | 180.0° |
| H13A | C1 | C2 | H2 | 98.9° | 0.0° |
| C2 | C3 | C4 | C5 | 174.0° | 180.0° |
| C2 | C3 | C4 | O1 | 150.8° | 180.0° |
| C2 | C3 | C4 | H4 | 29.2° | 0.0° |
| C2 | C3 | C5 | C9 | 105.7° | 108.3° |
| C2 | C3 | C5 | N1 | 14.6° | 137.0° |
| C2 | C3 | C5 | H5 | 121.3° | 14.3° |
| H2 | C2 | C3 | C4 | 54.9° | 0.0° |
| H2 | C2 | C3 | C5 | 119.1° | 180.0° |
| C3 | C4 | O1 | H4 | 180.0° | 180.0° |
| C4 | C3 | C5 | C9 | 80.4° | 71.7° |
| C4 | C3 | C5 | N1 | 171.5° | 42.9° |
| C4 | C3 | C5 | H5 | 52.6° | 165.6° |
| C5 | C3 | C4 | O1 | 23.2° | 0.0° |
| C5 | C3 | C4 | H4 | 156.9° | 180.0° |
| C3 | C5 | C9 | N1 | 101.6° | 118.7° |
| C3 | C5 | C9 | H5 | 126.8° | 122.6° |
| C3 | C5 | N1 | H5 | 123.6° | 122.6° |
| C3 | C5 | N1 | C6 | 165.4° | 112.5° |
| C3 | C5 | N1 | HN1 | 45.4° | 67.5° |
| C3 | C5 | C9 | C8 | 152.3° | 110.8° |
| C3 | C5 | C9 | C10 | 28.9° | 3.9° |
| C3 | C5 | C9 | H9 | 80.9° | 129.6° |
| C9 | C5 | N1 | H5 | 125.3° | 118.7° |
| C9 | C5 | N1 | C6 | 54.2° | 6.1° |
| C9 | C5 | N1 | HN1 | 65.7° | 173.8° |
| C5 | C9 | C8 | C6 | 35.5° | 7.4° |
| C5 | C9 | C8 | C13 | 167.7° | 171.8° |
| C5 | C9 | C8 | C10 | 129.6° | 118.6° |
| C5 | C9 | C8 | H9 | 120.2° | 119.6° |
| C5 | C9 | C10 | H9 | 118.9° | 125.4° |
| C5 | C9 | C10 | C11 | 170.2° | 168.0° |
| C5 | C9 | C10 | H101 | 69.8° | 72.2° |
| C5 | C9 | C10 | H102 | 50.1° | 48.2° |
| C5 | N1 | C6 | HN1 | 120.0° | 180.0° |
| C5 | N1 | C6 | C8 | 39.8° | 1.6° |
| C5 | N1 | C6 | C7 | 148.0° | 178.3° |
| N1 | C5 | C9 | C8 | 50.7° | 7.8° |
| N1 | C5 | C9 | C10 | 72.7° | 122.6° |
| N1 | C5 | C9 | H9 | 177.5° | 111.8° |
| H5 | C5 | N1 | C6 | 71.1° | 124.8° |
| H5 | C5 | N1 | HN1 | 168.9° | 55.1° |
| H5 | C5 | C9 | C8 | 80.9° | 126.6° |
| H5 | C5 | C9 | C10 | 155.6° | 118.7° |
| H5 | C5 | C9 | H9 | 45.9° | 7.0° |
| N1 | C6 | C8 | C7 | 171.8° | 180.0° |
| N1 | C6 | C7 | O2 | 135.8° | 180.0° |
| N1 | C6 | C7 | O3 | 42.3° | 0.0° |
| N1 | C6 | C8 | C13 | 152.3° | 175.3° |
| N1 | C6 | C8 | C9 | 0.5° | 3.8° |
| HN1 | N1 | C6 | C8 | 80.2° | 178.4° |
| HN1 | N1 | C6 | C7 | 92.0° | 1.7° |
| C8 | C6 | C7 | O2 | 53.5° | 0.1° |
| C8 | C6 | C7 | O3 | 128.4° | 179.9° |
| C6 | C8 | C13 | C9 | 151.2° | 179.0° |
| C6 | C8 | C9 | C10 | 94.1° | 126.0° |
| C6 | C8 | C9 | H9 | 155.6° | 112.2° |
| C6 | C8 | C13 | C12 | 93.7° | 128.2° |
| C6 | C8 | C13 | O4 | 136.0° | 112.5° |
| C6 | C8 | C13 | H13 | 27.6° | 8.9° |
| C6 | C7 | O2 | O3 | 178.1° | 180.0° |
| C6 | C7 | O3 | HO3 | 178.3° | 180.0° |
| C7 | C6 | C8 | C13 | 19.5° | 4.7° |
| C7 | C6 | C8 | C9 | 172.2° | 176.2° |
| O2 | C7 | O3 | HO3 | 0.0° | 0.1° |
| C13 | C8 | C9 | C10 | 62.7° | 53.2° |
| C13 | C8 | C9 | H9 | 47.5° | 68.6° |
| C8 | C13 | C12 | C11 | 50.8° | 51.5° |
| C8 | C13 | C12 | O4 | 134.3° | 119.2° |
| C8 | C13 | C12 | H13 | 115.6° | 119.3° |
| C8 | C13 | C12 | H121 | 170.8° | 171.7° |
| C8 | C13 | C12 | H122 | 67.0° | 68.8° |
| C8 | C13 | O4 | H13 | 112.6° | 121.5° |
| C8 | C13 | O4 | C14 | 140.4° | 150.0° |
| C8 | C9 | C10 | H9 | 126.0° | 121.6° |
| C8 | C9 | C10 | C11 | 55.2° | 54.9° |
| C8 | C9 | C10 | H101 | 175.1° | 174.7° |
| C8 | C9 | C10 | H102 | 65.0° | 64.8° |
| C9 | C8 | C13 | C12 | 57.5° | 50.8° |
| C9 | C8 | C13 | O4 | 72.9° | 68.5° |
| C9 | C8 | C13 | H13 | 178.7° | 170.1° |
| C9 | C10 | C11 | H101 | 120.0° | 119.8° |
| C9 | C10 | C11 | H102 | 120.1° | 119.7° |
| C9 | C10 | H101 | H102 | 120.1° | 120.5° |
| C9 | C10 | C11 | C12 | 47.9° | 64.8° |
| C9 | C10 | C11 | H111 | 72.1° | 55.7° |
| C9 | C10 | C11 | H112 | 167.6° | 174.8° |
| H9 | C9 | C10 | C11 | 70.9° | 66.7° |
| H9 | C9 | C10 | H101 | 49.1° | 53.1° |
| H9 | C9 | C10 | H102 | 169.0° | 173.6° |
| C11 | C10 | H101 | H102 | 120.1° | 120.6° |
| C10 | C11 | C12 | H111 | 120.0° | 120.5° |
| C10 | C11 | C12 | H112 | 119.8° | 120.5° |
| C10 | C11 | H111 | H112 | 119.8° | 119.1° |
| C10 | C11 | C12 | C13 | 49.5° | 63.3° |
| C10 | C11 | C12 | H121 | 169.5° | 176.5° |
| C10 | C11 | C12 | H122 | 68.3° | 56.9° |
| H101 | C10 | C11 | C12 | 167.9° | 175.4° |
| H101 | C10 | C11 | H111 | 47.9° | 64.1° |
| H101 | C10 | C11 | H112 | 72.4° | 55.0° |
| H102 | C10 | C11 | C12 | 72.2° | 54.9° |
| H102 | C10 | C11 | H111 | 167.8° | 175.4° |
| H102 | C10 | C11 | H112 | 47.5° | 65.5° |
| C12 | C11 | H111 | H112 | 119.7° | 119.1° |
| C11 | C12 | C13 | H121 | 120.0° | 120.3° |
| C11 | C12 | C13 | H122 | 117.7° | 120.3° |
| C11 | C12 | H121 | H122 | 117.9° | 119.7° |
| C11 | C12 | C13 | O4 | 83.6° | 67.8° |
| C11 | C12 | C13 | H13 | 166.3° | 170.7° |
| H111 | C11 | C12 | C13 | 70.5° | 57.2° |
| H111 | C11 | C12 | H121 | 49.5° | 63.0° |
| H111 | C11 | C12 | H122 | 171.8° | 177.4° |
| H112 | C11 | C12 | C13 | 169.3° | 176.3° |
| H112 | C11 | C12 | H121 | 70.7° | 56.0° |
| H112 | C11 | C12 | H122 | 51.5° | 63.5° |
| C13 | C12 | H121 | H122 | 117.9° | 119.5° |
| C12 | C13 | O4 | H13 | 120.0° | 121.5° |
| C12 | C13 | O4 | C14 | 92.1° | 92.9° |
| H121 | C12 | C13 | O4 | 36.4° | 52.5° |
| H121 | C12 | C13 | H13 | 73.7° | 69.0° |
| H122 | C12 | C13 | O4 | 158.7° | 172.0° |
| H122 | C12 | C13 | H13 | 48.6° | 50.5° |
| C13 | O4 | C14 | H141 | 16.3° | 59.9° |
| C13 | O4 | C14 | H142 | 103.6° | 60.1° |
| C13 | O4 | C14 | H143 | 136.4° | 180.0° |
| H13 | C13 | O4 | C14 | 27.9° | 28.6° |
| O4 | C14 | H141 | H142 | 120.0° | 120.0° |
| O4 | C14 | H141 | H143 | 120.0° | 120.1° |
| O4 | C14 | H142 | H143 | 120.0° | 120.0° |
| H141 | C14 | H142 | H143 | 120.0° | 119.9° |
