LG9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C9 | sing | 1.43Å | 1.45Å | |
| C9 | C1 | sing | 1.53Å | 1.55Å | |
| C1 | C5 | sing | 1.54Å | 1.54Å | |
| C1 | C2 | sing | 1.55Å | 1.53Å | |
| C5 | C4 | sing | 1.55Å | 1.53Å | |
| C5 | N4 | sing | 1.48Å | 1.45Å | |
| C4 | O1 | sing | 1.43Å | 1.44Å | |
| C4 | C6 | sing | 1.55Å | 1.53Å | |
| C6 | O2 | sing | 1.43Å | 1.43Å | |
| C6 | C7 | sing | 1.54Å | 1.53Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | N4 | sing | 1.47Å | 1.46Å | |
| C8 | O3 | sing | 1.43Å | 1.43Å | |
| N4 | C3 | sing | 1.48Å | 1.45Å | |
| C3 | C2 | sing | 1.55Å | 1.56Å | |
| C2 | OXT | sing | 1.43Å | 1.44Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | HA | sing | 1.09Å | 1.10Å | |
| O1 | HB | sing | 0.97Å | 0.95Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| O2 | HC | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C9 | C1 | 112.7° | 109.5° |
| C9 | O4 | H4 | 109.5° | 114.0° |
| O4 | C9 | H91C | 108.4° | 109.4° |
| O4 | C9 | H92C | 107.7° | 109.4° |
| C9 | C1 | C5 | 111.8° | 110.3° |
| C9 | C1 | C2 | 105.6° | 110.3° |
| C1 | C9 | H91C | 108.4° | 109.5° |
| C1 | C9 | H92C | 107.7° | 109.5° |
| C9 | C1 | H1 | 109.5° | 110.3° |
| C5 | C1 | C2 | 106.0° | 105.2° |
| C1 | C5 | C4 | 112.9° | 109.1° |
| C1 | C5 | N4 | 99.4° | 107.3° |
| C5 | C1 | H1 | 109.1° | 110.4° |
| C1 | C5 | H5 | 110.0° | 111.5° |
| C1 | C2 | C3 | 103.2° | 102.9° |
| C1 | C2 | OXT | 109.6° | 110.7° |
| C2 | C1 | H1 | 115.0° | 110.3° |
| C1 | C2 | H2 | 112.9° | 110.7° |
| C4 | C5 | N4 | 94.7° | 104.8° |
| C5 | C4 | O1 | 111.7° | 111.0° |
| C5 | C4 | C6 | 105.2° | 101.7° |
| C4 | C5 | H5 | 113.7° | 111.5° |
| C5 | C4 | HA | 112.6° | 111.0° |
| C5 | N4 | C7 | 121.4° | 108.3° |
| C5 | N4 | C3 | 114.1° | 106.0° |
| N4 | C5 | H5 | 125.0° | 112.3° |
| O1 | C4 | C6 | 114.0° | 111.0° |
| O1 | C4 | HA | 103.4° | 110.9° |
| C4 | O1 | HB | 109.5° | 114.0° |
| C4 | C6 | O2 | 111.7° | 110.7° |
| C4 | C6 | C7 | 102.9° | 103.0° |
| C6 | C4 | HA | 110.1° | 111.0° |
| C4 | C6 | H6 | 112.0° | 110.7° |
| O2 | C6 | C7 | 108.5° | 110.7° |
| O2 | C6 | H6 | 106.8° | 110.6° |
| C6 | O2 | HC | 109.5° | 114.0° |
| C6 | C7 | C8 | 118.8° | 109.8° |
| C6 | C7 | N4 | 97.6° | 107.3° |
| C7 | C6 | H6 | 115.0° | 110.9° |
| C6 | C7 | H7 | 113.1° | 109.9° |
| C8 | C7 | N4 | 113.5° | 109.9° |
| C7 | C8 | O3 | 111.6° | 109.5° |
| C8 | C7 | H7 | 97.0° | 109.9° |
| C7 | C8 | H81C | 108.8° | 109.4° |
| C7 | C8 | H82C | 108.3° | 109.4° |
| C7 | N4 | C3 | 122.5° | 109.4° |
| N4 | C7 | H7 | 118.3° | 110.0° |
| O3 | C8 | H81C | 108.7° | 109.5° |
| O3 | C8 | H82C | 108.3° | 109.5° |
| C8 | O3 | H3 | 109.5° | 114.0° |
| N4 | C3 | C2 | 93.8° | 103.7° |
| N4 | C3 | H31C | 115.1° | 110.5° |
| N4 | C3 | H32C | 118.1° | 110.6° |
| C3 | C2 | OXT | 108.1° | 110.8° |
| C3 | C2 | H2 | 114.3° | 110.7° |
| C2 | C3 | H31C | 115.1° | 110.6° |
| C2 | C3 | H32C | 118.1° | 110.6° |
| OXT | C2 | H2 | 108.5° | 110.8° |
| C2 | OXT | HXT | 109.5° | 114.0° |
| H91C | C9 | H92C | 112.0° | 109.5° |
| H81C | C8 | H82C | 111.1° | 109.5° |
| H31C | C3 | H32C | 98.1° | 110.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C9 | C1 | H91C | 120.0° | 120.0° |
| O4 | C9 | C1 | H92C | 118.6° | 120.0° |
| O4 | C9 | C1 | C5 | 89.4° | 175.0° |
| O4 | C9 | C1 | C2 | 155.9° | 69.2° |
| O4 | C9 | H91C | H92C | 118.7° | 120.0° |
| O4 | C9 | C1 | H1 | 31.6° | 52.9° |
| C9 | C1 | C5 | C2 | 114.5° | 118.9° |
| C9 | C1 | C5 | H1 | 121.2° | 122.1° |
| C9 | C1 | C2 | H1 | 120.7° | 122.1° |
| C9 | C1 | C5 | C4 | 147.7° | 127.0° |
| C9 | C1 | C5 | N4 | 113.1° | 119.9° |
| C9 | C1 | C2 | C3 | 89.7° | 142.0° |
| C9 | C1 | C2 | OXT | 155.3° | 99.6° |
| C1 | C9 | O4 | H4 | 80.9° | 180.0° |
| C1 | C9 | H91C | H92C | 118.7° | 120.1° |
| C9 | C1 | C5 | H5 | 19.6° | 3.4° |
| C9 | C1 | C2 | H2 | 34.3° | 23.7° |
| C5 | C1 | C2 | H1 | 120.5° | 119.0° |
| C1 | C5 | C4 | N4 | 102.2° | 114.7° |
| C1 | C5 | C4 | H5 | 126.1° | 123.6° |
| C1 | C5 | N4 | H5 | 122.5° | 122.8° |
| C1 | C5 | C4 | O1 | 97.2° | 90.0° |
| C1 | C5 | C4 | C6 | 138.6° | 151.9° |
| C1 | C5 | N4 | C7 | 133.2° | 140.1° |
| C1 | C5 | N4 | C3 | 31.2° | 22.8° |
| C5 | C1 | C2 | C3 | 29.0° | 23.1° |
| C5 | C1 | C2 | OXT | 86.0° | 141.5° |
| C5 | C1 | C9 | H91C | 30.6° | 55.1° |
| C5 | C1 | C9 | H92C | 152.0° | 65.0° |
| C5 | C1 | C2 | H2 | 153.0° | 95.2° |
| C1 | C5 | C4 | HA | 18.7° | 33.8° |
| C2 | C1 | C5 | C4 | 97.8° | 114.1° |
| C2 | C1 | C5 | N4 | 1.4° | 1.0° |
| C1 | C2 | C3 | N4 | 43.3° | 37.2° |
| C1 | C2 | C3 | OXT | 116.0° | 118.4° |
| C1 | C2 | C3 | H2 | 123.1° | 118.3° |
| C1 | C2 | OXT | H2 | 123.7° | 123.2° |
| C2 | C1 | C9 | H91C | 84.1° | 170.8° |
| C2 | C1 | C9 | H92C | 37.3° | 50.8° |
| C2 | C1 | C5 | H5 | 134.1° | 122.3° |
| C1 | C2 | C3 | H31C | 163.3° | 81.4° |
| C1 | C2 | C3 | H32C | 81.5° | 155.8° |
| C1 | C2 | OXT | HXT | 142.4° | 180.0° |
| C4 | C5 | N4 | H5 | 123.3° | 121.2° |
| C5 | C4 | O1 | C6 | 119.1° | 112.3° |
| C5 | C4 | O1 | HA | 121.3° | 123.9° |
| C5 | C4 | C6 | HA | 121.5° | 118.1° |
| C5 | C4 | C6 | O2 | 160.4° | 154.1° |
| C5 | C4 | C6 | C7 | 44.2° | 35.8° |
| C4 | C5 | N4 | C7 | 19.0° | 24.2° |
| C4 | C5 | N4 | C3 | 145.4° | 93.2° |
| C4 | C5 | C1 | H1 | 26.5° | 4.9° |
| C5 | C4 | O1 | HB | 96.7° | 180.0° |
| C5 | C4 | C6 | H6 | 79.9° | 82.8° |
| N4 | C5 | C4 | O1 | 160.6° | 155.3° |
| N4 | C5 | C4 | C6 | 36.4° | 37.2° |
| C5 | N4 | C7 | C6 | 6.5° | 1.0° |
| C5 | N4 | C7 | C8 | 132.5° | 118.4° |
| C5 | N4 | C7 | C3 | 163.1° | 115.1° |
| C5 | N4 | C3 | C2 | 48.0° | 37.4° |
| N4 | C5 | C1 | H1 | 125.7° | 118.0° |
| N4 | C5 | C4 | HA | 83.5° | 80.9° |
| C5 | N4 | C7 | H7 | 114.9° | 120.5° |
| C5 | N4 | C3 | H31C | 168.0° | 81.1° |
| C5 | N4 | C3 | H32C | 76.8° | 156.1° |
| O1 | C4 | C6 | HA | 115.8° | 123.8° |
| O1 | C4 | C6 | O2 | 76.9° | 87.8° |
| O1 | C4 | C6 | C7 | 166.9° | 153.9° |
| O1 | C4 | C5 | H5 | 28.9° | 33.5° |
| O1 | C4 | C6 | H6 | 42.8° | 35.3° |
| C4 | C6 | O2 | C7 | 112.8° | 113.6° |
| C4 | C6 | O2 | H6 | 122.8° | 123.1° |
| C4 | C6 | C7 | H6 | 122.1° | 118.5° |
| C4 | C6 | C7 | C8 | 151.4° | 141.7° |
| C4 | C6 | C7 | N4 | 29.3° | 22.3° |
| C6 | C4 | C5 | H5 | 95.3° | 84.5° |
| C6 | C4 | O1 | HB | 22.4° | 67.7° |
| C4 | C6 | O2 | HC | 153.9° | 61.5° |
| C4 | C6 | C7 | H7 | 96.0° | 97.3° |
| O2 | C6 | C7 | H6 | 119.4° | 123.2° |
| O2 | C6 | C7 | C8 | 90.1° | 99.9° |
| O2 | C6 | C7 | N4 | 147.7° | 140.7° |
| O2 | C6 | C4 | HA | 38.8° | 36.0° |
| O2 | C6 | C7 | H7 | 22.5° | 21.1° |
| C6 | C7 | C8 | N4 | 113.8° | 117.9° |
| C6 | C7 | C8 | H7 | 121.2° | 121.0° |
| C6 | C7 | N4 | H7 | 121.4° | 119.5° |
| C6 | C7 | C8 | O3 | 42.0° | 53.5° |
| C6 | C7 | N4 | C3 | 169.6° | 114.1° |
| C7 | C6 | C4 | HA | 77.4° | 82.3° |
| C7 | C6 | O2 | HC | 41.1° | 175.1° |
| C6 | C7 | C8 | H81C | 162.0° | 173.5° |
| C6 | C7 | C8 | H82C | 77.1° | 66.5° |
| C8 | C7 | N4 | H7 | 112.7° | 121.1° |
| C7 | C8 | O3 | H81C | 120.0° | 120.0° |
| C7 | C8 | O3 | H82C | 119.1° | 120.0° |
| C8 | C7 | N4 | C3 | 64.5° | 126.5° |
| C8 | C7 | C6 | H6 | 29.3° | 23.2° |
| C7 | C8 | H81C | H82C | 119.1° | 119.9° |
| C7 | C8 | O3 | H3 | 180.0° | 180.0° |
| N4 | C7 | C8 | O3 | 71.8° | 64.3° |
| C7 | N4 | C3 | C2 | 116.2° | 154.1° |
| C7 | N4 | C5 | H5 | 104.3° | 97.0° |
| N4 | C7 | C6 | H6 | 92.9° | 96.2° |
| N4 | C7 | C8 | H81C | 48.2° | 55.7° |
| N4 | C7 | C8 | H82C | 169.1° | 175.6° |
| C7 | N4 | C3 | H31C | 3.8° | 35.5° |
| C7 | N4 | C3 | H32C | 119.0° | 87.3° |
| O3 | C8 | C7 | H7 | 163.1° | 174.5° |
| O3 | C8 | H81C | H82C | 119.1° | 120.0° |
| N4 | C3 | C2 | H31C | 120.0° | 118.5° |
| N4 | C3 | C2 | H32C | 124.8° | 118.6° |
| N4 | C3 | C2 | OXT | 72.8° | 155.5° |
| C3 | N4 | C5 | H5 | 91.3° | 145.6° |
| N4 | C3 | C2 | H2 | 166.3° | 81.2° |
| C3 | N4 | C7 | H7 | 48.2° | 5.4° |
| N4 | C3 | H31C | H32C | 126.3° | 122.8° |
| C3 | C2 | OXT | H2 | 124.5° | 123.3° |
| C3 | C2 | C1 | H1 | 149.6° | 95.9° |
| C2 | C3 | H31C | H32C | 126.3° | 122.9° |
| C3 | C2 | OXT | HXT | 30.6° | 66.5° |
| OXT | C2 | C1 | H1 | 34.6° | 22.5° |
| OXT | C2 | C3 | H31C | 47.3° | 37.0° |
| OXT | C2 | C3 | H32C | 162.4° | 85.9° |
| H4 | O4 | C9 | H91C | 39.1° | 60.0° |
| H4 | O4 | C9 | H92C | 160.5° | 60.0° |
| H91C | C9 | C1 | H1 | 151.6° | 67.1° |
| H92C | C9 | C1 | H1 | 87.0° | 172.9° |
| H1 | C1 | C5 | H5 | 101.6° | 118.7° |
| H1 | C1 | C2 | H2 | 86.4° | 145.7° |
| H5 | C5 | C4 | HA | 144.8° | 157.4° |
| H2 | C2 | C3 | H31C | 73.6° | 160.3° |
| H2 | C2 | C3 | H32C | 41.5° | 37.5° |
| H2 | C2 | OXT | HXT | 93.9° | 56.8° |
| HA | C4 | O1 | HB | 142.0° | 56.1° |
| HA | C4 | C6 | H6 | 158.5° | 159.1° |
| H6 | C6 | O2 | HC | 83.3° | 61.6° |
| H6 | C6 | C7 | H7 | 141.9° | 144.3° |
| H7 | C7 | C8 | H81C | 76.9° | 65.5° |
| H7 | C7 | C8 | H82C | 44.0° | 54.5° |
| H81C | C8 | O3 | H3 | 59.9° | 60.0° |
| H82C | C8 | O3 | H3 | 60.9° | 60.0° |
