B9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | trip | 1.17Å | 1.19Å | |
| C12 | C11 | sing | 1.43Å | 1.26Å | |
| C11 | C10 | doub | 1.33Å | 1.33Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C6 | sing | 1.53Å | 1.56Å | |
| C6 | C5 | sing | 1.53Å | 1.56Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C3 | C2 | sing | 1.53Å | 1.56Å | |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| C1 | O | sing | 1.43Å | 1.48Å | |
| 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 | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| 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 | |
| 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 | 109.5° | 109.5° |
| C16 | C15 | H151 | 108.6° | 109.5° |
| C16 | C15 | H152 | 108.0° | 109.4° |
| C15 | C14 | C13 | 113.1° | 109.5° |
| C14 | C15 | H151 | 108.6° | 109.5° |
| C14 | C15 | H152 | 108.0° | 109.5° |
| C15 | C14 | H141 | 108.3° | 109.5° |
| C15 | C14 | H142 | 107.5° | 109.5° |
| C14 | C13 | C12 | 178.8° | 179.9° |
| C13 | C14 | H141 | 108.3° | 109.5° |
| C13 | C14 | H142 | 107.5° | 109.4° |
| C13 | C12 | C11 | 168.4° | 179.9° |
| C12 | C11 | C10 | 128.7° | 120.0° |
| C12 | C11 | H11 | 115.6° | 120.0° |
| C11 | C10 | C9 | 116.9° | 120.0° |
| C10 | C11 | H11 | 115.6° | 120.0° |
| C11 | C10 | H10 | 121.5° | 120.0° |
| C10 | C9 | C8 | 110.6° | 109.5° |
| C9 | C10 | H10 | 121.6° | 120.0° |
| C10 | C9 | H91C | 109.1° | 109.5° |
| C10 | C9 | H92C | 108.9° | 109.5° |
| C9 | C8 | C7 | 114.0° | 109.5° |
| C8 | C9 | H91C | 109.1° | 109.4° |
| C8 | C9 | H92C | 108.9° | 109.5° |
| C9 | C8 | H81C | 108.0° | 109.4° |
| C9 | C8 | H82C | 106.9° | 109.5° |
| C8 | C7 | C6 | 116.4° | 109.5° |
| C7 | C8 | H81C | 108.0° | 109.5° |
| C7 | C8 | H82C | 106.9° | 109.5° |
| C8 | C7 | H71C | 107.2° | 109.5° |
| C8 | C7 | H72C | 105.6° | 109.5° |
| C7 | C6 | C5 | 115.0° | 109.5° |
| C6 | C7 | H71C | 107.2° | 109.4° |
| C6 | C7 | H72C | 105.7° | 109.5° |
| C7 | C6 | H61C | 107.7° | 109.4° |
| C7 | C6 | H62C | 106.4° | 109.4° |
| C6 | C5 | C4 | 116.0° | 109.5° |
| C5 | C6 | H61C | 107.7° | 109.5° |
| C5 | C6 | H62C | 106.4° | 109.5° |
| C6 | C5 | H51C | 107.3° | 109.5° |
| C6 | C5 | H52C | 105.9° | 109.5° |
| C5 | C4 | C3 | 114.0° | 109.5° |
| C4 | C5 | H51C | 107.4° | 109.4° |
| C4 | C5 | H52C | 105.9° | 109.5° |
| C5 | C4 | H41C | 108.0° | 109.4° |
| C5 | C4 | H42C | 106.9° | 109.4° |
| C4 | C3 | C2 | 117.8° | 109.5° |
| C3 | C4 | H41C | 108.0° | 109.5° |
| C3 | C4 | H42C | 106.9° | 109.5° |
| C4 | C3 | H31C | 106.8° | 109.5° |
| C4 | C3 | H32C | 104.8° | 109.5° |
| C3 | C2 | C1 | 111.6° | 109.5° |
| C2 | C3 | H31C | 106.8° | 109.4° |
| C2 | C3 | H32C | 104.9° | 109.4° |
| C3 | C2 | H21C | 108.8° | 109.4° |
| C3 | C2 | H22C | 108.3° | 109.5° |
| C2 | C1 | O | 119.0° | 109.5° |
| C1 | C2 | H21C | 108.8° | 109.5° |
| C1 | C2 | H22C | 108.2° | 109.5° |
| C2 | C1 | H11C | 106.4° | 109.5° |
| C2 | C1 | H12C | 104.2° | 109.5° |
| O | C1 | H11C | 106.4° | 109.4° |
| O | C1 | H12C | 104.2° | 109.4° |
| C1 | O | H | 109.5° | 114.0° |
| H161 | C16 | H162 | 109.5° | 109.4° |
| H161 | C16 | H163 | 109.5° | 109.4° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H151 | C15 | H152 | 111.6° | 109.4° |
| H141 | C14 | H142 | 112.3° | 109.4° |
| H91C | C9 | H92C | 110.3° | 109.5° |
| H81C | C8 | H82C | 113.1° | 109.5° |
| H71C | C7 | H72C | 115.0° | 109.4° |
| H61C | C6 | H62C | 113.9° | 109.5° |
| H51C | C5 | H52C | 114.7° | 109.5° |
| H41C | C4 | H42C | 113.1° | 109.5° |
| H31C | C3 | H32C | 116.2° | 109.5° |
| H21C | C2 | H22C | 111.2° | 109.5° |
| H11C | C1 | H12C | 117.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H151 | 120.0° | 120.1° |
| C16 | C15 | C14 | H152 | 118.8° | 120.0° |
| C16 | C15 | C14 | C13 | 141.9° | 180.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.1° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.1° |
| C16 | C15 | H151 | H152 | 118.9° | 119.9° |
| C16 | C15 | C14 | H141 | 22.0° | 59.9° |
| C16 | C15 | C14 | H142 | 99.6° | 60.0° |
| C15 | C14 | C13 | H141 | 120.0° | 120.1° |
| C15 | C14 | C13 | H142 | 118.4° | 120.0° |
| C15 | C14 | C13 | C12 | 36.6° | 80.0° |
| C14 | C15 | C16 | H161 | 104.0° | 60.1° |
| C14 | C15 | C16 | H162 | 136.0° | 59.9° |
| C14 | C15 | C16 | H163 | 16.0° | 180.0° |
| C14 | C15 | H151 | H152 | 118.9° | 120.0° |
| C15 | C14 | H141 | H142 | 118.5° | 120.0° |
| C14 | C13 | C12 | C11 | 22.4° | 168.7° |
| C13 | C14 | C15 | H151 | 98.1° | 59.9° |
| C13 | C14 | C15 | H152 | 23.1° | 60.0° |
| C13 | C14 | H141 | H142 | 118.5° | 119.9° |
| C13 | C12 | C11 | C10 | 82.2° | 91.3° |
| C12 | C13 | C14 | H141 | 156.6° | 40.1° |
| C12 | C13 | C14 | H142 | 81.9° | 160.0° |
| C13 | C12 | C11 | H11 | 97.7° | 88.8° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 174.8° | 180.0° |
| C12 | C11 | C10 | H10 | 5.2° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 65.1° | 125.0° |
| C11 | C10 | C9 | H91C | 54.9° | 115.0° |
| C11 | C10 | C9 | H92C | 175.3° | 5.0° |
| C10 | C9 | C8 | H91C | 120.0° | 120.0° |
| C10 | C9 | C8 | H92C | 119.6° | 120.0° |
| C10 | C9 | C8 | C7 | 9.4° | 180.0° |
| C9 | C10 | C11 | H11 | 5.1° | 0.0° |
| C10 | C9 | H91C | H92C | 119.6° | 120.0° |
| C10 | C9 | C8 | H81C | 110.6° | 60.0° |
| C10 | C9 | C8 | H82C | 127.3° | 60.0° |
| C9 | C8 | C7 | H81C | 120.0° | 120.0° |
| C9 | C8 | C7 | H82C | 118.0° | 120.0° |
| C9 | C8 | C7 | C6 | 110.6° | NaN° |
| C8 | C9 | C10 | H10 | 114.8° | 55.0° |
| C8 | C9 | H91C | H92C | 119.5° | 120.0° |
| C9 | C8 | H81C | H82C | 118.2° | 120.0° |
| C9 | C8 | C7 | H71C | 129.4° | 60.0° |
| C9 | C8 | C7 | H72C | 6.2° | 59.9° |
| C8 | C7 | C6 | H71C | 120.0° | 120.0° |
| C8 | C7 | C6 | H72C | 116.8° | 120.1° |
| C8 | C7 | C6 | C5 | 159.1° | 180.0° |
| C7 | C8 | C9 | H91C | 129.4° | 60.0° |
| C7 | C8 | C9 | H92C | 110.2° | 60.0° |
| C7 | C8 | H81C | H82C | 118.1° | 120.0° |
| C8 | C7 | H71C | H72C | 117.2° | 120.0° |
| C8 | C7 | C6 | H61C | 39.0° | 60.0° |
| C8 | C7 | C6 | H62C | 83.4° | 60.0° |
| C7 | C6 | C5 | H61C | 120.0° | 120.0° |
| C7 | C6 | C5 | H62C | 117.5° | 120.0° |
| C7 | C6 | C5 | C4 | 172.5° | 180.0° |
| C6 | C7 | C8 | H81C | 9.4° | 60.0° |
| C6 | C7 | C8 | H82C | 131.4° | 60.0° |
| C6 | C7 | H71C | H72C | 117.2° | 120.0° |
| C7 | C6 | H61C | H62C | 117.7° | 120.0° |
| C7 | C6 | C5 | H51C | 67.5° | 60.1° |
| C7 | C6 | C5 | H52C | 55.5° | 60.0° |
| C6 | C5 | C4 | H51C | 120.0° | 120.0° |
| C6 | C5 | C4 | H52C | 117.0° | 120.0° |
| C6 | C5 | C4 | C3 | 178.9° | 180.0° |
| C5 | C6 | C7 | H71C | 81.0° | 60.0° |
| C5 | C6 | C7 | H72C | 42.2° | 59.9° |
| C5 | C6 | H61C | H62C | 117.8° | 120.1° |
| C6 | C5 | H51C | H52C | 117.3° | 120.1° |
| C6 | C5 | C4 | H41C | 58.9° | 60.0° |
| C6 | C5 | C4 | H42C | 63.1° | 60.0° |
| C5 | C4 | C3 | H41C | 120.0° | 120.0° |
| C5 | C4 | C3 | H42C | 118.0° | 120.0° |
| C5 | C4 | C3 | C2 | 162.4° | 180.0° |
| C4 | C5 | C6 | H61C | 52.5° | 60.0° |
| C4 | C5 | C6 | H62C | 70.0° | 60.0° |
| C4 | C5 | H51C | H52C | 117.3° | 120.0° |
| C5 | C4 | H41C | H42C | 118.1° | 120.0° |
| C5 | C4 | C3 | H31C | 77.6° | 60.0° |
| C5 | C4 | C3 | H32C | 46.3° | 60.0° |
| C4 | C3 | C2 | H31C | 120.0° | 120.0° |
| C4 | C3 | C2 | H32C | 116.1° | 120.0° |
| C4 | C3 | C2 | C1 | 163.0° | 180.0° |
| C3 | C4 | C5 | H51C | 61.1° | 60.0° |
| C3 | C4 | C5 | H52C | 61.9° | 60.0° |
| C3 | C4 | H41C | H42C | 118.1° | 120.0° |
| C4 | C3 | H31C | H32C | 116.5° | 120.0° |
| C4 | C3 | C2 | H21C | 77.0° | 60.0° |
| C4 | C3 | C2 | H22C | 44.0° | 60.0° |
| C3 | C2 | C1 | H21C | 120.0° | 119.9° |
| C3 | C2 | C1 | H22C | 119.1° | 120.0° |
| C3 | C2 | C1 | O | 162.0° | 180.0° |
| C2 | C3 | C4 | H41C | 42.4° | 60.0° |
| C2 | C3 | C4 | H42C | 79.6° | 60.0° |
| C2 | C3 | H31C | H32C | 116.6° | 120.0° |
| C3 | C2 | H21C | H22C | 119.1° | 120.0° |
| C3 | C2 | C1 | H11C | 78.0° | 60.1° |
| C3 | C2 | C1 | H12C | 46.6° | 60.0° |
| C2 | C1 | O | H11C | 120.0° | 120.0° |
| C2 | C1 | O | H12C | 115.5° | 120.0° |
| C1 | C2 | C3 | H31C | 43.0° | 60.0° |
| C1 | C2 | C3 | H32C | 80.9° | 60.0° |
| C1 | C2 | H21C | H22C | 119.1° | 120.1° |
| C2 | C1 | H11C | H12C | 116.1° | 120.1° |
| C2 | C1 | O | H | 36.7° | 180.0° |
| O | C1 | C2 | H21C | 42.0° | 60.1° |
| O | C1 | C2 | H22C | 78.9° | 60.0° |
| O | C1 | H11C | H12C | 116.1° | 120.0° |
| H161 | C16 | H162 | H163 | 120.0° | 119.9° |
| H161 | C16 | C15 | H151 | 136.0° | 60.0° |
| H161 | C16 | C15 | H152 | 14.8° | 180.0° |
| H162 | C16 | C15 | H151 | 16.0° | 180.0° |
| H162 | C16 | C15 | H152 | 105.2° | 60.1° |
| H163 | C16 | C15 | H151 | 104.0° | 59.9° |
| H163 | C16 | C15 | H152 | 134.8° | 60.0° |
| H151 | C15 | C14 | H141 | 141.9° | 180.0° |
| H151 | C15 | C14 | H142 | 20.4° | 60.0° |
| H152 | C15 | C14 | H141 | 96.9° | 60.0° |
| H152 | C15 | C14 | H142 | 141.6° | 180.0° |
| H11 | C11 | C10 | H10 | 174.9° | 179.9° |
| H10 | C10 | C9 | H91C | 125.1° | 65.0° |
| H10 | C10 | C9 | H92C | 4.7° | 175.0° |
| H91C | C9 | C8 | H81C | 9.4° | 180.0° |
| H91C | C9 | C8 | H82C | 112.6° | 60.0° |
| H92C | C9 | C8 | H81C | 129.9° | 60.0° |
| H92C | C9 | C8 | H82C | 7.8° | NaN° |
| H81C | C8 | C7 | H71C | 110.6° | 180.0° |
| H81C | C8 | C7 | H72C | 126.2° | 60.0° |
| H82C | C8 | C7 | H71C | 11.4° | 60.0° |
| H82C | C8 | C7 | H72C | 111.7° | 179.9° |
| H71C | C7 | C6 | H61C | 159.0° | 180.0° |
| H71C | C7 | C6 | H62C | 36.6° | 60.0° |
| H72C | C7 | C6 | H61C | 77.8° | 60.1° |
| H72C | C7 | C6 | H62C | 159.7° | 179.9° |
| H61C | C6 | C5 | H51C | 172.5° | 180.0° |
| H61C | C6 | C5 | H52C | 64.5° | 60.0° |
| H62C | C6 | C5 | H51C | 50.0° | 59.9° |
| H62C | C6 | C5 | H52C | 173.0° | 180.0° |
| H51C | C5 | C4 | H41C | 178.9° | 180.0° |
| H51C | C5 | C4 | H42C | 56.9° | 60.0° |
| H52C | C5 | C4 | H41C | 58.1° | 60.0° |
| H52C | C5 | C4 | H42C | 179.9° | 180.0° |
| H41C | C4 | C3 | H31C | 162.4° | 180.0° |
| H41C | C4 | C3 | H32C | 73.7° | 60.0° |
| H42C | C4 | C3 | H31C | 40.4° | 60.0° |
| H42C | C4 | C3 | H32C | 164.3° | NaN° |
| H31C | C3 | C2 | H21C | 163.1° | 180.0° |
| H31C | C3 | C2 | H22C | 76.0° | 60.0° |
| H32C | C3 | C2 | H21C | 39.1° | 60.0° |
| H32C | C3 | C2 | H22C | 160.1° | 180.0° |
| H21C | C2 | C1 | H11C | 162.0° | 180.0° |
| H21C | C2 | C1 | H12C | 73.4° | 59.9° |
| H22C | C2 | C1 | H11C | 41.1° | 59.9° |
| H22C | C2 | C1 | H12C | 165.7° | 180.0° |
| H11C | C1 | O | H | 83.3° | 60.0° |
| H12C | C1 | O | H | 152.1° | 60.0° |
