OP2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C12 | sing | 1.34Å | 1.27Å | |
| C12 | C11 | sing | 1.51Å | 1.44Å | |
| C12 | OBC | doub | 1.21Å | 1.27Å | |
| C11 | O5 | sing | 1.43Å | 1.43Å | |
| O5 | C10 | sing | 1.43Å | 1.47Å | |
| C10 | C9 | sing | 1.53Å | 1.59Å | |
| C9 | O4 | sing | 1.43Å | 1.47Å | |
| O4 | C8 | sing | 1.43Å | 1.45Å | |
| C8 | C7 | sing | 1.53Å | 1.56Å | |
| C7 | O3 | sing | 1.43Å | 1.48Å | |
| O3 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | O2 | sing | 1.43Å | 1.45Å | |
| O2 | C4 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C2 | sing | 1.43Å | 1.44Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | OXT | sing | 1.43Å | 1.45Å | |
| O6 | H6 | sing | 0.97Å | 0.95Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | 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) |
| O6 | C12 | C11 | 121.4° | 120.0° |
| O6 | C12 | OBC | 126.9° | 120.0° |
| C12 | O6 | H6 | 109.5° | 117.0° |
| C11 | C12 | OBC | 107.8° | 120.0° |
| C12 | C11 | O5 | 109.0° | 109.5° |
| C12 | C11 | H111 | 109.6° | 109.4° |
| C12 | C11 | H112 | 109.6° | 109.5° |
| C11 | O5 | C10 | 107.2° | 114.0° |
| O5 | C11 | H111 | 109.6° | 109.4° |
| O5 | C11 | H112 | 109.6° | 109.5° |
| O5 | C10 | C9 | 107.5° | 109.5° |
| O5 | C10 | H101 | 110.0° | 109.4° |
| O5 | C10 | H102 | 110.0° | 109.5° |
| C10 | C9 | O4 | 116.8° | 109.5° |
| C9 | C10 | H101 | 109.9° | 109.5° |
| C9 | C10 | H102 | 109.9° | 109.5° |
| C10 | C9 | H91C | 107.6° | 109.4° |
| C10 | C9 | H92C | 107.6° | 109.5° |
| C9 | O4 | C8 | 115.8° | 114.0° |
| O4 | C9 | H91C | 107.6° | 109.5° |
| O4 | C9 | H92C | 107.6° | 109.5° |
| O4 | C8 | C7 | 103.7° | 109.5° |
| O4 | C8 | H81C | 110.9° | 109.5° |
| O4 | C8 | H82C | 110.9° | 109.5° |
| C8 | C7 | O3 | 111.0° | 109.5° |
| C7 | C8 | H81C | 110.9° | 109.4° |
| C7 | C8 | H82C | 110.9° | 109.5° |
| C8 | C7 | H71C | 109.1° | 109.5° |
| C8 | C7 | H72C | 109.1° | 109.5° |
| C7 | O3 | C6 | 111.5° | 114.0° |
| O3 | C7 | H71C | 109.1° | 109.5° |
| O3 | C7 | H72C | 109.1° | 109.5° |
| O3 | C6 | C5 | 117.6° | 109.4° |
| O3 | C6 | H61C | 107.4° | 109.4° |
| O3 | C6 | H62C | 107.4° | 109.4° |
| C6 | C5 | O2 | 110.0° | 109.5° |
| C5 | C6 | H61C | 107.4° | 109.5° |
| C5 | C6 | H62C | 107.4° | 109.5° |
| C6 | C5 | H51C | 109.3° | 109.5° |
| C6 | C5 | H52C | 109.3° | 109.5° |
| C5 | O2 | C4 | 114.0° | 114.0° |
| O2 | C5 | H51C | 109.4° | 109.4° |
| O2 | C5 | H52C | 109.3° | 109.4° |
| O2 | C4 | C3 | 107.7° | 109.5° |
| O2 | C4 | H41C | 109.9° | 109.5° |
| O2 | C4 | H42C | 109.9° | 109.5° |
| C4 | C3 | O1 | 107.8° | 109.4° |
| C3 | C4 | H41C | 109.9° | 109.4° |
| C3 | C4 | H42C | 109.9° | 109.4° |
| C4 | C3 | H31C | 109.9° | 109.5° |
| C4 | C3 | H32C | 109.9° | 109.4° |
| C3 | O1 | C2 | 111.1° | 114.0° |
| O1 | C3 | H31C | 109.9° | 109.5° |
| O1 | C3 | H32C | 109.9° | 109.5° |
| O1 | C2 | C1 | 106.5° | 109.5° |
| O1 | C2 | H21C | 110.2° | 109.5° |
| O1 | C2 | H22C | 110.2° | 109.5° |
| C2 | C1 | OXT | 105.2° | 109.5° |
| C1 | C2 | H21C | 110.2° | 109.5° |
| C1 | C2 | H22C | 110.2° | 109.5° |
| C2 | C1 | H11C | 110.5° | 109.5° |
| C2 | C1 | H12C | 110.5° | 109.5° |
| OXT | C1 | H11C | 110.5° | 109.5° |
| OXT | C1 | H12C | 110.5° | 109.4° |
| C1 | OXT | HXT | 109.5° | 114.1° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.4° |
| H71C | C7 | H72C | 109.5° | 109.4° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.4° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.4° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C12 | C11 | OBC | 159.2° | 180.0° |
| O6 | C12 | C11 | O5 | 63.7° | 180.0° |
| O6 | C12 | C11 | H111 | 176.3° | 60.1° |
| O6 | C12 | C11 | H112 | 56.2° | 60.0° |
| C12 | C11 | O5 | H111 | 119.9° | 119.9° |
| C12 | C11 | O5 | H112 | 119.9° | 120.1° |
| C12 | C11 | O5 | C10 | 78.0° | 180.0° |
| C11 | C12 | O6 | H6 | 155.0° | 180.0° |
| C12 | C11 | H111 | H112 | 120.2° | 120.0° |
| OBC | C12 | C11 | O5 | 137.1° | 0.0° |
| OBC | C12 | O6 | H6 | 0.0° | 0.0° |
| OBC | C12 | C11 | H111 | 17.2° | 120.0° |
| OBC | C12 | C11 | H112 | 103.0° | 120.0° |
| C11 | O5 | C10 | C9 | 178.0° | 180.0° |
| O5 | C11 | H111 | H112 | 120.2° | 120.0° |
| C11 | O5 | C10 | H101 | 62.3° | 60.0° |
| C11 | O5 | C10 | H102 | 58.3° | 59.9° |
| O5 | C10 | C9 | H101 | 119.7° | 120.0° |
| O5 | C10 | C9 | H102 | 119.7° | 120.0° |
| O5 | C10 | C9 | O4 | 172.4° | 65.0° |
| C10 | O5 | C11 | H111 | 41.9° | 60.0° |
| C10 | O5 | C11 | H112 | 162.0° | 60.0° |
| O5 | C10 | H101 | H102 | 120.9° | 120.0° |
| O5 | C10 | C9 | H91C | 66.5° | 175.0° |
| O5 | C10 | C9 | H92C | 51.4° | 55.0° |
| C10 | C9 | O4 | H91C | 121.1° | 120.0° |
| C10 | C9 | O4 | H92C | 121.1° | 120.0° |
| C10 | C9 | O4 | C8 | 151.0° | 180.0° |
| C9 | C10 | H101 | H102 | 120.9° | 120.0° |
| C10 | C9 | H91C | H92C | 116.7° | 120.0° |
| C9 | O4 | C8 | C7 | 160.1° | 180.0° |
| O4 | C9 | C10 | H101 | 52.7° | 55.0° |
| O4 | C9 | C10 | H102 | 67.9° | 174.9° |
| O4 | C9 | H91C | H92C | 116.7° | 120.0° |
| C9 | O4 | C8 | H81C | 80.8° | 60.0° |
| C9 | O4 | C8 | H82C | 41.0° | 59.9° |
| O4 | C8 | C7 | H81C | 119.0° | 120.0° |
| O4 | C8 | C7 | H82C | 119.1° | 120.1° |
| O4 | C8 | C7 | O3 | 106.5° | 65.0° |
| C8 | O4 | C9 | H91C | 87.9° | 60.0° |
| C8 | O4 | C9 | H92C | 29.9° | 60.0° |
| O4 | C8 | H81C | H82C | 122.7° | 120.0° |
| O4 | C8 | C7 | H71C | 133.3° | 175.0° |
| O4 | C8 | C7 | H72C | 13.7° | 55.0° |
| C8 | C7 | O3 | H71C | 120.2° | 120.1° |
| C8 | C7 | O3 | H72C | 120.2° | 120.0° |
| C8 | C7 | O3 | C6 | 118.6° | 180.0° |
| C7 | C8 | H81C | H82C | 122.7° | 120.0° |
| C8 | C7 | H71C | H72C | 119.3° | 120.0° |
| C7 | O3 | C6 | C5 | 152.7° | 180.0° |
| O3 | C7 | C8 | H81C | 12.5° | 55.1° |
| O3 | C7 | C8 | H82C | 134.4° | 175.0° |
| O3 | C7 | H71C | H72C | 119.3° | 120.0° |
| C7 | O3 | C6 | H61C | 86.2° | 60.0° |
| C7 | O3 | C6 | H62C | 31.5° | 60.0° |
| O3 | C6 | C5 | H61C | 121.2° | 120.0° |
| O3 | C6 | C5 | H62C | 121.2° | 119.9° |
| O3 | C6 | C5 | O2 | 73.0° | 65.0° |
| C6 | O3 | C7 | H71C | 1.6° | 60.0° |
| C6 | O3 | C7 | H72C | 121.2° | 60.0° |
| O3 | C6 | H61C | H62C | 116.3° | 120.0° |
| O3 | C6 | C5 | H51C | 166.9° | 175.0° |
| O3 | C6 | C5 | H52C | 47.1° | 55.0° |
| C6 | C5 | O2 | H51C | 120.1° | 120.0° |
| C6 | C5 | O2 | H52C | 120.1° | 120.0° |
| C6 | C5 | O2 | C4 | 110.6° | 180.0° |
| C5 | C6 | H61C | H62C | 116.3° | 120.1° |
| C6 | C5 | H51C | H52C | 119.7° | 120.1° |
| C5 | O2 | C4 | C3 | 123.8° | 180.0° |
| O2 | C5 | C6 | H61C | 48.1° | 55.0° |
| O2 | C5 | C6 | H62C | 165.8° | 175.1° |
| O2 | C5 | H51C | H52C | 119.7° | 119.9° |
| C5 | O2 | C4 | H41C | 4.1° | 60.0° |
| C5 | O2 | C4 | H42C | 116.5° | 60.1° |
| O2 | C4 | C3 | H41C | 119.7° | 120.0° |
| O2 | C4 | C3 | H42C | 119.7° | 120.0° |
| O2 | C4 | C3 | O1 | 142.8° | 65.0° |
| C4 | O2 | C5 | H51C | 129.3° | 59.9° |
| C4 | O2 | C5 | H52C | 9.5° | 60.0° |
| O2 | C4 | H41C | H42C | 120.8° | 120.1° |
| O2 | C4 | C3 | H31C | 23.0° | 175.0° |
| O2 | C4 | C3 | H32C | 97.5° | 55.0° |
| C4 | C3 | O1 | H31C | 119.8° | 120.0° |
| C4 | C3 | O1 | H32C | 119.7° | 120.0° |
| C4 | C3 | O1 | C2 | 171.5° | 180.0° |
| C3 | C4 | H41C | H42C | 120.8° | 119.9° |
| C4 | C3 | H31C | H32C | 120.8° | 119.9° |
| C3 | O1 | C2 | C1 | 104.2° | 180.0° |
| O1 | C3 | C4 | H41C | 97.5° | 55.0° |
| O1 | C3 | C4 | H42C | 23.1° | 175.0° |
| O1 | C3 | H31C | H32C | 120.7° | 120.1° |
| C3 | O1 | C2 | H21C | 15.3° | 60.0° |
| C3 | O1 | C2 | H22C | 136.3° | 60.0° |
| O1 | C2 | C1 | H21C | 119.6° | 120.0° |
| O1 | C2 | C1 | H22C | 119.5° | 120.0° |
| O1 | C2 | C1 | OXT | 178.6° | 65.0° |
| C2 | O1 | C3 | H31C | 68.8° | 60.0° |
| C2 | O1 | C3 | H32C | 51.8° | 60.0° |
| O1 | C2 | H21C | H22C | 121.4° | 120.0° |
| O1 | C2 | C1 | H11C | 62.1° | 175.0° |
| O1 | C2 | C1 | H12C | 59.3° | 55.0° |
| C2 | C1 | OXT | H11C | 119.3° | 120.1° |
| C2 | C1 | OXT | H12C | 119.3° | 119.9° |
| C1 | C2 | H21C | H22C | 121.4° | 120.0° |
| C2 | C1 | H11C | H12C | 122.0° | 120.0° |
| C2 | C1 | OXT | HXT | 180.0° | 180.0° |
| OXT | C1 | C2 | H21C | 59.0° | 55.0° |
| OXT | C1 | C2 | H22C | 61.9° | 175.0° |
| OXT | C1 | H11C | H12C | 122.0° | 119.9° |
| H101 | C10 | C9 | H91C | 173.8° | 65.0° |
| H101 | C10 | C9 | H92C | 68.3° | 175.0° |
| H102 | C10 | C9 | H91C | 53.2° | 55.0° |
| H102 | C10 | C9 | H92C | 171.1° | 65.0° |
| H81C | C8 | C7 | H71C | 107.7° | 65.0° |
| H81C | C8 | C7 | H72C | 132.7° | 175.1° |
| H82C | C8 | C7 | H71C | 14.2° | 55.0° |
| H82C | C8 | C7 | H72C | 105.4° | 65.0° |
| H61C | C6 | C5 | H51C | 72.0° | 65.0° |
| H61C | C6 | C5 | H52C | 168.2° | 174.9° |
| H62C | C6 | C5 | H51C | 45.7° | 55.1° |
| H62C | C6 | C5 | H52C | 74.1° | 65.0° |
| H41C | C4 | C3 | H31C | 142.8° | 65.0° |
| H41C | C4 | C3 | H32C | 22.2° | 175.0° |
| H42C | C4 | C3 | H31C | 96.7° | 55.0° |
| H42C | C4 | C3 | H32C | 142.8° | 65.0° |
| H21C | C2 | C1 | H11C | 178.3° | 65.0° |
| H21C | C2 | C1 | H12C | 60.3° | 175.0° |
| H22C | C2 | C1 | H11C | 57.4° | 55.0° |
| H22C | C2 | C1 | H12C | 178.8° | 65.1° |
| H11C | C1 | OXT | HXT | 60.7° | 59.9° |
| H12C | C1 | OXT | HXT | 60.7° | 60.1° |
