M12
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C1 | C2 | sing | 1.51Å | 1.55Å | |
| C1 | OXT | sing | 1.34Å | 1.34Å | |
| C2 | C3 | sing | 1.53Å | 1.58Å | |
| C3 | C4 | sing | 1.53Å | 1.59Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.53Å | 1.61Å | |
| C10 | C12 | sing | 1.53Å | 1.59Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| C6 | H61C | sing | 1.09Å | 1.10Å | |
| C6 | H62C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 118.5° | 119.9° |
| O1 | C1 | OXT | 123.4° | 120.0° |
| C2 | C1 | OXT | 118.1° | 120.0° |
| C1 | C2 | C3 | 109.2° | 109.5° |
| C1 | C2 | H21C | 109.6° | 109.4° |
| C1 | C2 | H22C | 109.6° | 109.5° |
| C1 | OXT | HXT | 109.5° | 117.0° |
| C2 | C3 | C4 | 112.3° | 109.5° |
| C3 | C2 | H21C | 109.5° | 109.5° |
| C3 | C2 | H22C | 109.6° | 109.4° |
| C2 | C3 | H31C | 108.6° | 109.5° |
| C2 | C3 | H32C | 107.9° | 109.5° |
| C3 | C4 | C5 | 116.1° | 109.5° |
| C4 | C3 | H31C | 108.5° | 109.5° |
| C4 | C3 | H32C | 107.9° | 109.4° |
| C3 | C4 | H41C | 107.3° | 109.5° |
| C3 | C4 | H42C | 105.8° | 109.5° |
| C4 | C5 | C6 | 111.6° | 109.5° |
| C5 | C4 | H41C | 107.3° | 109.5° |
| C5 | C4 | H42C | 105.8° | 109.4° |
| C4 | C5 | H51C | 108.8° | 109.5° |
| C4 | C5 | H52C | 108.3° | 109.5° |
| C5 | C6 | C7 | 111.2° | 109.4° |
| C6 | C5 | H51C | 108.8° | 109.5° |
| C6 | C5 | H52C | 108.3° | 109.4° |
| C5 | C6 | H61C | 108.9° | 109.5° |
| C5 | C6 | H62C | 108.6° | 109.5° |
| C6 | C7 | C8 | 110.3° | 109.4° |
| C7 | C6 | H61C | 108.9° | 109.5° |
| C7 | C6 | H62C | 108.5° | 109.5° |
| C6 | C7 | H71C | 109.2° | 109.5° |
| C6 | C7 | H72C | 109.0° | 109.5° |
| C7 | C8 | C9 | 110.8° | 109.5° |
| C8 | C7 | H71C | 109.2° | 109.5° |
| C8 | C7 | H72C | 109.0° | 109.4° |
| C7 | C8 | H81C | 109.0° | 109.5° |
| C7 | C8 | H82C | 108.7° | 109.4° |
| C8 | C9 | C10 | 115.7° | 109.5° |
| C9 | C8 | H81C | 109.0° | 109.5° |
| C9 | C8 | H82C | 108.7° | 109.5° |
| C8 | C9 | H91C | 107.5° | 109.5° |
| C8 | C9 | H92C | 106.0° | 109.4° |
| C9 | C10 | C11 | 113.1° | 109.5° |
| C9 | C10 | C12 | 114.5° | 109.5° |
| C10 | C9 | H91C | 107.4° | 109.5° |
| C10 | C9 | H92C | 106.0° | 109.5° |
| C9 | C10 | H10 | 103.9° | 109.5° |
| C11 | C10 | C12 | 111.6° | 109.5° |
| C11 | C10 | H10 | 107.3° | 109.4° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C12 | C10 | H10 | 105.5° | 109.5° |
| C10 | C12 | H121 | 109.5° | 109.4° |
| C10 | C12 | H122 | 109.4° | 109.5° |
| C10 | C12 | H123 | 109.5° | 109.4° |
| H21C | C2 | H22C | 109.3° | 109.4° |
| H31C | C3 | H32C | 111.7° | 109.4° |
| H41C | C4 | H42C | 114.9° | 109.4° |
| H51C | C5 | H52C | 111.2° | 109.5° |
| H61C | C6 | H62C | 110.8° | 109.4° |
| H71C | C7 | H72C | 110.2° | 109.5° |
| H81C | C8 | H82C | 110.6° | 109.5° |
| H91C | C9 | H92C | 114.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | OXT | 179.6° | 179.7° |
| O1 | C1 | C2 | C3 | 79.6° | 0.0° |
| O1 | C1 | C2 | H21C | 40.3° | 120.0° |
| O1 | C1 | C2 | H22C | 160.2° | 120.0° |
| O1 | C1 | OXT | HXT | 0.0° | 0.0° |
| C1 | C2 | C3 | H21C | 120.0° | 120.0° |
| C1 | C2 | C3 | H22C | 120.1° | 120.1° |
| C1 | C2 | C3 | C4 | 43.2° | 180.0° |
| C1 | C2 | H21C | H22C | 120.1° | 120.0° |
| C2 | C1 | OXT | HXT | 179.6° | 179.8° |
| C1 | C2 | C3 | H31C | 76.8° | 60.0° |
| C1 | C2 | C3 | H32C | 162.0° | 60.0° |
| OXT | C1 | C2 | C3 | 100.0° | 179.7° |
| OXT | C1 | C2 | H21C | 140.0° | 59.7° |
| OXT | C1 | C2 | H22C | 20.1° | 60.3° |
| C2 | C3 | C4 | H31C | 120.0° | 120.1° |
| C2 | C3 | C4 | H32C | 118.8° | 120.0° |
| C2 | C3 | C4 | C5 | 173.9° | 180.0° |
| C3 | C2 | H21C | H22C | 120.1° | 119.9° |
| C2 | C3 | H31C | H32C | 118.9° | 120.0° |
| C2 | C3 | C4 | H41C | 53.9° | 60.0° |
| C2 | C3 | C4 | H42C | 69.2° | 60.0° |
| C3 | C4 | C5 | H41C | 120.0° | 120.0° |
| C3 | C4 | C5 | H42C | 117.0° | 120.0° |
| C3 | C4 | C5 | C6 | 176.7° | 180.0° |
| C4 | C3 | C2 | H21C | 163.2° | 60.0° |
| C4 | C3 | C2 | H22C | 76.9° | 60.0° |
| C4 | C3 | H31C | H32C | 118.8° | 119.9° |
| C3 | C4 | H41C | H42C | 117.3° | 120.0° |
| C3 | C4 | C5 | H51C | 56.7° | 60.0° |
| C3 | C4 | C5 | H52C | 64.2° | 60.1° |
| C4 | C5 | C6 | H51C | 120.0° | 120.0° |
| C4 | C5 | C6 | H52C | 119.1° | 120.0° |
| C4 | C5 | C6 | C7 | 59.4° | 180.0° |
| C5 | C4 | C3 | H31C | 66.1° | 59.9° |
| C5 | C4 | C3 | H32C | 55.1° | 60.0° |
| C5 | C4 | H41C | H42C | 117.3° | 120.0° |
| C4 | C5 | H51C | H52C | 119.1° | 120.0° |
| C4 | C5 | C6 | H61C | 60.5° | 60.0° |
| C4 | C5 | C6 | H62C | 178.7° | 60.0° |
| C5 | C6 | C7 | H61C | 120.0° | 120.0° |
| C5 | C6 | C7 | H62C | 119.3° | 120.0° |
| C5 | C6 | C7 | C8 | 178.3° | 180.0° |
| C6 | C5 | C4 | H41C | 63.3° | 60.0° |
| C6 | C5 | C4 | H42C | 59.8° | 60.0° |
| C6 | C5 | H51C | H52C | 119.1° | 120.0° |
| C5 | C6 | H61C | H62C | 119.4° | 120.0° |
| C5 | C6 | C7 | H71C | 61.7° | 60.0° |
| C5 | C6 | C7 | H72C | 58.7° | 60.0° |
| C6 | C7 | C8 | H71C | 120.0° | 120.0° |
| C6 | C7 | C8 | H72C | 119.6° | 120.0° |
| C6 | C7 | C8 | C9 | 157.1° | 180.0° |
| C7 | C6 | C5 | H51C | 179.5° | 60.0° |
| C7 | C6 | C5 | H52C | 59.6° | 60.0° |
| C7 | C6 | H61C | H62C | 119.3° | 120.0° |
| C6 | C7 | H71C | H72C | 119.6° | 120.0° |
| C6 | C7 | C8 | H81C | 82.9° | 60.0° |
| C6 | C7 | C8 | H82C | 37.7° | 60.1° |
| C7 | C8 | C9 | H81C | 120.0° | 120.0° |
| C7 | C8 | C9 | H82C | 119.4° | 119.9° |
| C7 | C8 | C9 | C10 | 148.5° | 179.9° |
| C8 | C7 | C6 | H61C | 58.4° | 60.0° |
| C8 | C7 | C6 | H62C | 62.4° | 60.0° |
| C8 | C7 | H71C | H72C | 119.7° | 120.0° |
| C7 | C8 | H81C | H82C | 119.5° | 120.0° |
| C7 | C8 | C9 | H91C | 91.5° | 60.0° |
| C7 | C8 | C9 | H92C | 31.3° | 60.0° |
| C8 | C9 | C10 | H91C | 120.0° | 120.0° |
| C8 | C9 | C10 | H92C | 117.2° | 120.0° |
| C8 | C9 | C10 | C11 | 86.9° | 175.0° |
| C8 | C9 | C10 | C12 | 42.5° | 65.0° |
| C9 | C8 | C7 | H71C | 37.2° | 60.0° |
| C9 | C8 | C7 | H72C | 83.2° | 60.0° |
| C9 | C8 | H81C | H82C | 119.4° | 120.0° |
| C8 | C9 | H91C | H92C | 117.5° | 120.0° |
| C8 | C9 | C10 | H10 | 157.1° | 55.0° |
| C9 | C10 | C11 | C12 | 130.8° | 120.0° |
| C9 | C10 | C11 | H10 | 114.0° | 120.0° |
| C9 | C10 | C12 | H10 | 113.6° | 120.0° |
| C10 | C9 | C8 | H81C | 28.5° | 60.0° |
| C10 | C9 | C8 | H82C | 92.0° | 60.0° |
| C10 | C9 | H91C | H92C | 117.4° | 120.0° |
| C9 | C10 | C11 | H111 | 46.8° | 60.0° |
| C9 | C10 | C11 | H112 | 73.3° | 180.0° |
| C9 | C10 | C11 | H113 | 166.7° | 60.0° |
| C9 | C10 | C12 | H121 | 159.7° | 60.0° |
| C9 | C10 | C12 | H122 | 39.7° | 60.0° |
| C9 | C10 | C12 | H123 | 80.3° | 180.0° |
| C11 | C10 | C12 | H10 | 116.3° | 120.0° |
| C11 | C10 | C9 | H91C | 153.1° | 55.0° |
| C11 | C10 | C9 | H92C | 30.3° | 65.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | C12 | H121 | 29.6° | 60.0° |
| C11 | C10 | C12 | H122 | 90.4° | 180.0° |
| C11 | C10 | C12 | H123 | 149.6° | 60.0° |
| C12 | C10 | C9 | H91C | 77.5° | 175.0° |
| C12 | C10 | C9 | H92C | 159.7° | 55.0° |
| C12 | C10 | C11 | H111 | 177.6° | 60.0° |
| C12 | C10 | C11 | H112 | 57.6° | 60.0° |
| C12 | C10 | C11 | H113 | 62.5° | 180.0° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 119.9° |
| C10 | C12 | H122 | H123 | 120.0° | 119.9° |
| H21C | C2 | C3 | H31C | 43.2° | 180.0° |
| H21C | C2 | C3 | H32C | 78.0° | 60.0° |
| H22C | C2 | C3 | H31C | 163.1° | 60.1° |
| H22C | C2 | C3 | H32C | 41.9° | 180.0° |
| H31C | C3 | C4 | H41C | 173.9° | 180.0° |
| H31C | C3 | C4 | H42C | 50.8° | 60.0° |
| H32C | C3 | C4 | H41C | 64.9° | 60.0° |
| H32C | C3 | C4 | H42C | 172.0° | 180.0° |
| H41C | C4 | C5 | H51C | 176.7° | 180.0° |
| H41C | C4 | C5 | H52C | 55.8° | 60.0° |
| H42C | C4 | C5 | H51C | 60.2° | 60.0° |
| H42C | C4 | C5 | H52C | 178.8° | 179.9° |
| H51C | C5 | C6 | H61C | 59.5° | 180.0° |
| H51C | C5 | C6 | H62C | 61.3° | 60.0° |
| H52C | C5 | C6 | H61C | 179.6° | 60.0° |
| H52C | C5 | C6 | H62C | 59.6° | 180.0° |
| H61C | C6 | C7 | H71C | 178.3° | 180.0° |
| H61C | C6 | C7 | H72C | 61.3° | 60.0° |
| H62C | C6 | C7 | H71C | 57.6° | 60.0° |
| H62C | C6 | C7 | H72C | 178.0° | 180.0° |
| H71C | C7 | C8 | H81C | 157.1° | 180.0° |
| H71C | C7 | C8 | H82C | 82.3° | 60.0° |
| H72C | C7 | C8 | H81C | 36.7° | 60.0° |
| H72C | C7 | C8 | H82C | 157.3° | 180.0° |
| H81C | C8 | C9 | H91C | 148.5° | 180.0° |
| H81C | C8 | C9 | H92C | 88.6° | 60.0° |
| H82C | C8 | C9 | H91C | 27.9° | 59.9° |
| H82C | C8 | C9 | H92C | 150.8° | 179.9° |
| H91C | C9 | C10 | H10 | 37.1° | 65.0° |
| H92C | C9 | C10 | H10 | 85.7° | 175.0° |
| H10 | C10 | C11 | H111 | 67.2° | 180.0° |
| H10 | C10 | C11 | H112 | 172.8° | 60.0° |
| H10 | C10 | C11 | H113 | 52.8° | 60.0° |
| H10 | C10 | C12 | H121 | 86.7° | 180.0° |
| H10 | C10 | C12 | H122 | 153.3° | 60.0° |
| H10 | C10 | C12 | H123 | 33.3° | 60.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.1° |
