B8M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | doub | 1.33Å | 1.33Å | |
| C10 | C9 | sing | 1.47Å | 1.45Å | |
| C9 | C8 | doub | 1.33Å | 1.32Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | O | sing | 1.43Å | 1.40Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| 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 | |
| O | H | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 112.2° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.4° | 109.5° |
| C15 | C16 | H163 | 109.4° | 109.5° |
| C16 | C15 | H151 | 108.6° | 109.5° |
| C16 | C15 | H152 | 108.0° | 109.5° |
| C15 | C14 | C13 | 114.5° | 109.5° |
| C14 | C15 | H151 | 108.6° | 109.5° |
| C14 | C15 | H152 | 107.9° | 109.4° |
| C15 | C14 | H141 | 107.8° | 109.5° |
| C15 | C14 | H142 | 106.7° | 109.4° |
| C14 | C13 | C12 | 107.0° | 109.5° |
| C13 | C14 | H141 | 107.8° | 109.5° |
| C13 | C14 | H142 | 106.7° | 109.5° |
| C14 | C13 | H131 | 110.3° | 109.4° |
| C14 | C13 | H132 | 110.8° | 109.5° |
| C13 | C12 | C11 | 117.4° | 109.5° |
| C12 | C13 | H131 | 110.3° | 109.5° |
| C12 | C13 | H132 | 110.9° | 109.5° |
| C13 | C12 | H121 | 106.9° | 109.5° |
| C13 | C12 | H122 | 105.1° | 109.5° |
| C12 | C11 | C10 | 126.3° | 120.0° |
| C11 | C12 | H121 | 106.9° | 109.5° |
| C11 | C12 | H122 | 105.1° | 109.4° |
| C12 | C11 | H11 | 116.8° | 120.0° |
| C11 | C10 | C9 | 121.7° | 120.0° |
| C10 | C11 | H11 | 116.9° | 120.0° |
| C11 | C10 | H10 | 119.2° | 120.0° |
| C10 | C9 | C8 | 122.2° | 120.0° |
| C9 | C10 | H10 | 119.2° | 120.0° |
| C10 | C9 | H9 | 118.9° | 120.0° |
| C9 | C8 | C7 | 114.0° | 120.0° |
| C8 | C9 | H9 | 118.9° | 120.0° |
| C9 | C8 | H8 | 123.0° | 120.0° |
| C8 | C7 | C6 | 112.9° | 109.5° |
| C7 | C8 | H8 | 123.0° | 120.0° |
| C8 | C7 | H71C | 108.3° | 109.5° |
| C8 | C7 | H72C | 107.5° | 109.5° |
| C7 | C6 | C5 | 114.4° | 109.5° |
| C6 | C7 | H71C | 108.3° | 109.5° |
| C6 | C7 | H72C | 107.5° | 109.4° |
| C7 | C6 | H61C | 107.9° | 109.5° |
| C7 | C6 | H62C | 106.8° | 109.5° |
| C6 | C5 | C4 | 113.2° | 109.5° |
| C5 | C6 | H61C | 107.8° | 109.4° |
| C5 | C6 | H62C | 106.7° | 109.5° |
| C6 | C5 | H51C | 108.3° | 109.5° |
| C6 | C5 | H52C | 107.4° | 109.5° |
| C5 | C4 | C3 | 116.9° | 109.5° |
| C4 | C5 | H51C | 108.2° | 109.5° |
| C4 | C5 | H52C | 107.4° | 109.5° |
| C5 | C4 | H41C | 107.0° | 109.5° |
| C5 | C4 | H42C | 105.4° | 109.4° |
| C4 | C3 | C2 | 111.5° | 109.5° |
| C3 | C4 | H41C | 107.1° | 109.5° |
| C3 | C4 | H42C | 105.3° | 109.5° |
| C4 | C3 | H31C | 108.8° | 109.5° |
| C4 | C3 | H32C | 108.4° | 109.5° |
| C3 | C2 | C1 | 112.1° | 109.5° |
| C2 | C3 | H31C | 108.8° | 109.5° |
| C2 | C3 | H32C | 108.3° | 109.5° |
| C3 | C2 | H21C | 108.6° | 109.4° |
| C3 | C2 | H22C | 108.0° | 109.5° |
| C2 | C1 | O | 108.4° | 109.4° |
| C1 | C2 | H21C | 108.6° | 109.5° |
| C1 | C2 | H22C | 108.0° | 109.5° |
| C2 | C1 | H11C | 109.8° | 109.4° |
| C2 | C1 | H12C | 110.0° | 109.5° |
| O | C1 | H11C | 109.8° | 109.5° |
| O | C1 | H12C | 110.1° | 109.4° |
| C1 | O | H | 109.5° | 114.0° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H151 | C15 | H152 | 111.6° | 109.5° |
| H141 | C14 | H142 | 113.5° | 109.5° |
| H131 | C13 | H132 | 107.6° | 109.4° |
| H121 | C12 | H122 | 115.9° | 109.5° |
| H71C | C7 | H72C | 112.2° | 109.5° |
| H61C | C6 | H62C | 113.4° | 109.5° |
| H51C | C5 | H52C | 112.4° | 109.4° |
| H41C | C4 | H42C | 115.5° | 109.5° |
| H31C | C3 | H32C | 111.1° | 109.4° |
| H21C | C2 | H22C | 111.5° | 109.4° |
| H11C | C1 | H12C | 108.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H151 | 120.0° | 120.0° |
| C16 | C15 | C14 | H152 | 118.8° | 120.0° |
| C16 | C15 | C14 | C13 | 132.2° | 180.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 119.9° | 120.0° |
| C16 | C15 | H151 | H152 | 118.9° | 120.0° |
| C16 | C15 | C14 | H141 | 12.2° | 60.0° |
| C16 | C15 | C14 | H142 | 110.1° | 60.0° |
| C15 | C14 | C13 | H141 | 120.0° | 120.0° |
| C15 | C14 | C13 | H142 | 117.8° | 120.0° |
| C15 | C14 | C13 | C12 | 162.0° | 180.0° |
| C14 | C15 | C16 | H161 | 101.2° | 180.0° |
| C14 | C15 | C16 | H162 | 138.8° | 60.0° |
| C14 | C15 | C16 | H163 | 18.8° | 60.0° |
| C14 | C15 | H151 | H152 | 118.9° | 120.0° |
| C15 | C14 | H141 | H142 | 117.9° | 120.0° |
| C15 | C14 | C13 | H131 | 78.0° | 59.9° |
| C15 | C14 | C13 | H132 | 41.0° | 60.0° |
| C14 | C13 | C12 | H131 | 120.0° | 120.0° |
| C14 | C13 | C12 | H132 | 121.0° | 120.0° |
| C14 | C13 | C12 | C11 | 133.5° | 180.0° |
| C13 | C14 | C15 | H151 | 107.8° | 60.0° |
| C13 | C14 | C15 | H152 | 13.3° | 60.0° |
| C13 | C14 | H141 | H142 | 118.0° | 120.0° |
| C14 | C13 | H131 | H132 | 121.0° | 119.9° |
| C14 | C13 | C12 | H121 | 13.5° | 60.0° |
| C14 | C13 | C12 | H122 | 110.2° | 60.0° |
| C13 | C12 | C11 | H121 | 120.0° | 120.0° |
| C13 | C12 | C11 | H122 | 116.3° | 120.0° |
| C13 | C12 | C11 | C10 | 57.1° | 126.1° |
| C12 | C13 | C14 | H141 | 42.0° | 60.0° |
| C12 | C13 | C14 | H142 | 80.3° | 60.0° |
| C12 | C13 | H131 | H132 | 121.0° | 120.0° |
| C13 | C12 | H121 | H122 | 116.7° | 120.0° |
| C13 | C12 | C11 | H11 | 122.9° | 53.9° |
| C12 | C11 | C10 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 1.5° | 6.3° |
| C11 | C12 | C13 | H131 | 106.5° | 60.0° |
| C11 | C12 | C13 | H132 | 12.5° | 60.0° |
| C11 | C12 | H121 | H122 | 116.8° | 119.9° |
| C12 | C11 | C10 | H10 | 178.5° | 173.7° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 87.1° | 174.7° |
| C10 | C11 | C12 | H121 | 62.9° | 6.1° |
| C10 | C11 | C12 | H122 | 173.4° | 113.9° |
| C11 | C10 | C9 | H9 | 92.9° | 5.4° |
| C10 | C9 | C8 | H9 | 180.0° | 179.9° |
| C10 | C9 | C8 | C7 | 179.2° | 180.0° |
| C9 | C10 | C11 | H11 | 178.5° | 173.8° |
| C10 | C9 | C8 | H8 | 0.8° | 0.0° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 169.9° | 125.0° |
| C8 | C9 | C10 | H10 | 92.9° | 5.3° |
| C9 | C8 | C7 | H71C | 49.9° | 115.0° |
| C9 | C8 | C7 | H72C | 71.6° | 5.0° |
| C8 | C7 | C6 | H71C | 120.0° | 120.0° |
| C8 | C7 | C6 | H72C | 118.5° | 120.0° |
| C8 | C7 | C6 | C5 | 134.8° | 180.0° |
| C7 | C8 | C9 | H9 | 0.8° | 0.0° |
| C8 | C7 | H71C | H72C | 118.6° | 120.0° |
| C8 | C7 | C6 | H61C | 14.8° | 60.0° |
| C8 | C7 | C6 | H62C | 107.4° | 60.0° |
| C7 | C6 | C5 | H61C | 120.0° | 120.0° |
| C7 | C6 | C5 | H62C | 117.8° | 120.0° |
| C7 | C6 | C5 | C4 | 76.1° | 180.0° |
| C6 | C7 | C8 | H8 | 10.1° | 55.0° |
| C6 | C7 | H71C | H72C | 118.6° | 120.0° |
| C7 | C6 | H61C | H62C | 118.0° | 120.0° |
| C7 | C6 | C5 | H51C | 43.9° | 60.0° |
| C7 | C6 | C5 | H52C | 165.5° | 60.0° |
| C6 | C5 | C4 | H51C | 120.0° | 120.0° |
| C6 | C5 | C4 | H52C | 118.4° | 120.0° |
| C6 | C5 | C4 | C3 | 167.7° | 180.0° |
| C5 | C6 | C7 | H71C | 105.2° | 60.0° |
| C5 | C6 | C7 | H72C | 16.3° | 60.0° |
| C5 | C6 | H61C | H62C | 117.9° | 120.0° |
| C6 | C5 | H51C | H52C | 118.5° | 120.0° |
| C6 | C5 | C4 | H41C | 47.7° | 60.0° |
| C6 | C5 | C4 | H42C | 75.8° | 60.0° |
| C5 | C4 | C3 | H41C | 120.0° | 120.1° |
| C5 | C4 | C3 | H42C | 116.6° | 119.9° |
| C5 | C4 | C3 | C2 | 67.1° | 180.0° |
| C4 | C5 | C6 | H61C | 163.9° | 60.0° |
| C4 | C5 | C6 | H62C | 41.7° | 60.0° |
| C4 | C5 | H51C | H52C | 118.5° | 120.0° |
| C5 | C4 | H41C | H42C | 117.0° | 120.0° |
| C5 | C4 | C3 | H31C | 172.9° | 59.9° |
| C5 | C4 | C3 | H32C | 52.0° | 60.0° |
| C4 | C3 | C2 | H31C | 120.0° | 120.0° |
| C4 | C3 | C2 | H32C | 119.2° | 120.0° |
| C4 | C3 | C2 | C1 | 93.8° | 180.0° |
| C3 | C4 | C5 | H51C | 72.3° | 60.0° |
| C3 | C4 | C5 | H52C | 49.3° | 60.0° |
| C3 | C4 | H41C | H42C | 116.9° | 120.0° |
| C4 | C3 | H31C | H32C | 119.2° | 120.0° |
| C4 | C3 | C2 | H21C | 146.2° | 60.0° |
| C4 | C3 | C2 | H22C | 25.1° | 60.0° |
| C3 | C2 | C1 | H21C | 120.0° | 120.0° |
| C3 | C2 | C1 | H22C | 118.9° | 120.0° |
| C3 | C2 | C1 | O | 121.6° | 180.0° |
| C2 | C3 | C4 | H41C | 52.8° | 60.0° |
| C2 | C3 | C4 | H42C | 176.3° | 60.0° |
| C2 | C3 | H31C | H32C | 119.2° | 120.0° |
| C3 | C2 | H21C | H22C | 118.9° | 120.0° |
| C3 | C2 | C1 | H11C | 118.4° | 60.0° |
| C3 | C2 | C1 | H12C | 1.1° | 60.0° |
| C2 | C1 | O | H11C | 120.0° | 120.0° |
| C2 | C1 | O | H12C | 120.4° | 119.9° |
| C1 | C2 | C3 | H31C | 26.2° | 60.0° |
| C1 | C2 | C3 | H32C | 147.0° | 60.0° |
| C1 | C2 | H21C | H22C | 118.9° | 120.0° |
| C2 | C1 | H11C | H12C | 120.4° | 120.0° |
| C2 | C1 | O | H | 55.8° | 180.0° |
| O | C1 | C2 | H21C | 1.6° | 60.0° |
| O | C1 | C2 | H22C | 119.5° | 60.0° |
| O | C1 | H11C | H12C | 120.5° | 120.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H161 | C16 | C15 | H151 | 138.8° | 60.0° |
| H161 | C16 | C15 | H152 | 17.6° | 60.0° |
| H162 | C16 | C15 | H151 | 18.8° | 60.0° |
| H162 | C16 | C15 | H152 | 102.4° | 180.0° |
| H163 | C16 | C15 | H151 | 101.2° | 180.0° |
| H163 | C16 | C15 | H152 | 137.6° | 60.0° |
| H151 | C15 | C14 | H141 | 132.2° | 180.0° |
| H151 | C15 | C14 | H142 | 9.9° | 60.0° |
| H152 | C15 | C14 | H141 | 106.6° | 60.0° |
| H152 | C15 | C14 | H142 | 131.1° | 180.0° |
| H141 | C14 | C13 | H131 | 162.0° | 180.0° |
| H141 | C14 | C13 | H132 | 79.0° | 60.1° |
| H142 | C14 | C13 | H131 | 39.7° | 60.0° |
| H142 | C14 | C13 | H132 | 158.8° | 179.9° |
| H131 | C13 | C12 | H121 | 133.5° | 180.0° |
| H131 | C13 | C12 | H122 | 9.8° | 60.0° |
| H132 | C13 | C12 | H121 | 107.4° | 60.0° |
| H132 | C13 | C12 | H122 | 128.8° | 179.9° |
| H121 | C12 | C11 | H11 | 117.1° | 173.9° |
| H122 | C12 | C11 | H11 | 6.6° | 66.1° |
| H11 | C11 | C10 | H10 | 1.5° | 6.2° |
| H10 | C10 | C9 | H9 | 87.1° | 174.7° |
| H9 | C9 | C8 | H8 | 179.2° | 179.9° |
| H8 | C8 | C7 | H71C | 130.1° | 65.0° |
| H8 | C8 | C7 | H72C | 108.4° | 175.0° |
| H71C | C7 | C6 | H61C | 134.8° | 179.9° |
| H71C | C7 | C6 | H62C | 12.6° | 60.0° |
| H72C | C7 | C6 | H61C | 103.7° | 59.9° |
| H72C | C7 | C6 | H62C | 134.1° | 180.0° |
| H61C | C6 | C5 | H51C | 76.1° | 180.0° |
| H61C | C6 | C5 | H52C | 45.5° | 60.0° |
| H62C | C6 | C5 | H51C | 161.7° | 60.0° |
| H62C | C6 | C5 | H52C | 76.6° | 180.0° |
| H51C | C5 | C4 | H41C | 167.7° | 180.0° |
| H51C | C5 | C4 | H42C | 44.3° | 60.0° |
| H52C | C5 | C4 | H41C | 70.7° | 60.0° |
| H52C | C5 | C4 | H42C | 165.9° | 179.9° |
| H41C | C4 | C3 | H31C | 67.2° | 180.0° |
| H41C | C4 | C3 | H32C | 172.0° | 60.0° |
| H42C | C4 | C3 | H31C | 56.3° | 60.0° |
| H42C | C4 | C3 | H32C | 64.5° | 180.0° |
| H31C | C3 | C2 | H21C | 93.8° | 180.0° |
| H31C | C3 | C2 | H22C | 145.1° | 60.0° |
| H32C | C3 | C2 | H21C | 27.0° | 60.0° |
| H32C | C3 | C2 | H22C | 94.1° | 180.0° |
| H21C | C2 | C1 | H11C | 121.6° | 180.0° |
| H21C | C2 | C1 | H12C | 118.9° | 60.0° |
| H22C | C2 | C1 | H11C | 0.5° | 60.0° |
| H22C | C2 | C1 | H12C | 120.0° | 179.9° |
| H11C | C1 | O | H | 64.2° | 60.0° |
| H12C | C1 | O | H | 176.2° | 60.1° |
