B7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C16 | doub | 1.21Å | 1.25Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | doub | 1.33Å | 1.34Å | |
| C6 | C5 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | doub | 1.33Å | 1.34Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| 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 | 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 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C1 | H13C | sing | 1.09Å | 1.10Å | |
| C16 | HXT | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C16 | C15 | 119.4° | 120.0° |
| O | C16 | HXT | 120.3° | 120.0° |
| C16 | C15 | C14 | 114.5° | 109.5° |
| C16 | C15 | H151 | 107.9° | 109.5° |
| C16 | C15 | H152 | 106.7° | 109.5° |
| C15 | C16 | HXT | 120.3° | 120.0° |
| C15 | C14 | C13 | 110.7° | 109.5° |
| C14 | C15 | H151 | 107.8° | 109.4° |
| C14 | C15 | H152 | 106.7° | 109.5° |
| C15 | C14 | H141 | 109.1° | 109.4° |
| C15 | C14 | H142 | 108.8° | 109.5° |
| C14 | C13 | C12 | 114.6° | 109.5° |
| C13 | C14 | H141 | 109.0° | 109.5° |
| C13 | C14 | H142 | 108.8° | 109.5° |
| C14 | C13 | H131 | 107.8° | 109.4° |
| C14 | C13 | H132 | 106.6° | 109.5° |
| C13 | C12 | C11 | 114.5° | 109.5° |
| C12 | C13 | H131 | 107.8° | 109.5° |
| C12 | C13 | H132 | 106.6° | 109.5° |
| C13 | C12 | H121 | 107.8° | 109.5° |
| C13 | C12 | H122 | 106.7° | 109.5° |
| C12 | C11 | C10 | 112.8° | 109.5° |
| C11 | C12 | H121 | 107.9° | 109.4° |
| C11 | C12 | H122 | 106.7° | 109.5° |
| C12 | C11 | H111 | 108.4° | 109.5° |
| C12 | C11 | H112 | 107.6° | 109.5° |
| C11 | C10 | C9 | 111.6° | 109.5° |
| C10 | C11 | H111 | 108.4° | 109.4° |
| C10 | C11 | H112 | 107.6° | 109.5° |
| C11 | C10 | H101 | 108.8° | 109.4° |
| C11 | C10 | H102 | 108.3° | 109.5° |
| C10 | C9 | C8 | 118.5° | 109.5° |
| C9 | C10 | H101 | 108.8° | 109.5° |
| C9 | C10 | H102 | 108.3° | 109.5° |
| C10 | C9 | H91C | 106.5° | 109.5° |
| C10 | C9 | H92C | 104.5° | 109.5° |
| C9 | C8 | C7 | 118.0° | 109.4° |
| C8 | C9 | H91C | 106.6° | 109.5° |
| C8 | C9 | H92C | 104.4° | 109.5° |
| C9 | C8 | H81C | 106.7° | 109.5° |
| C9 | C8 | H82C | 104.8° | 109.4° |
| C8 | C7 | C6 | 120.2° | 120.0° |
| C7 | C8 | H81C | 106.7° | 109.5° |
| C7 | C8 | H82C | 104.7° | 109.5° |
| C8 | C7 | H7 | 119.9° | 120.0° |
| C7 | C6 | C5 | 123.9° | 120.0° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C7 | C6 | H6 | 118.1° | 120.0° |
| C6 | C5 | C4 | 124.6° | 120.0° |
| C5 | C6 | H6 | 118.1° | 120.0° |
| C6 | C5 | H5 | 117.7° | 120.0° |
| C5 | C4 | C3 | 123.8° | 120.0° |
| C4 | C5 | H5 | 117.7° | 120.1° |
| C5 | C4 | H4 | 118.1° | 120.0° |
| C4 | C3 | C2 | 110.4° | 109.5° |
| C3 | C4 | H4 | 118.1° | 120.0° |
| C4 | C3 | H31C | 109.2° | 109.5° |
| C4 | C3 | H32C | 108.9° | 109.5° |
| C3 | C2 | C1 | 111.2° | 109.5° |
| C2 | C3 | H31C | 109.1° | 109.5° |
| C2 | C3 | H32C | 109.0° | 109.5° |
| C3 | C2 | H21C | 108.9° | 109.5° |
| C3 | C2 | H22C | 108.5° | 109.5° |
| C1 | C2 | H21C | 108.9° | 109.5° |
| C1 | C2 | H22C | 108.5° | 109.4° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.4° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.5° |
| H151 | C15 | H152 | 113.5° | 109.5° |
| H141 | C14 | H142 | 110.5° | 109.4° |
| H131 | C13 | H132 | 113.6° | 109.5° |
| H121 | C12 | H122 | 113.4° | 109.4° |
| H111 | C11 | H112 | 112.1° | 109.4° |
| H101 | C10 | H102 | 111.2° | 109.5° |
| H91C | C9 | H92C | 116.9° | 109.4° |
| H81C | C8 | H82C | 116.4° | 109.5° |
| H31C | C3 | H32C | 110.2° | 109.5° |
| H21C | C2 | H22C | 110.9° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.4° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C16 | C15 | HXT | 180.0° | 179.8° |
| O | C16 | C15 | C14 | 162.1° | 125.1° |
| O | C16 | C15 | H151 | 77.9° | 115.0° |
| O | C16 | C15 | H152 | 44.4° | 5.0° |
| C16 | C15 | C14 | H151 | 120.0° | 120.0° |
| C16 | C15 | C14 | H152 | 117.8° | 120.0° |
| C16 | C15 | C14 | C13 | 161.2° | 180.0° |
| C16 | C15 | H151 | H152 | 118.0° | 120.0° |
| C16 | C15 | C14 | H141 | 41.2° | 60.0° |
| C16 | C15 | C14 | H142 | 79.3° | 60.0° |
| C15 | C14 | C13 | H141 | 120.0° | 120.0° |
| C15 | C14 | C13 | H142 | 119.5° | 120.0° |
| C15 | C14 | C13 | C12 | 120.5° | 180.0° |
| C14 | C15 | H151 | H152 | 117.9° | 120.0° |
| C15 | C14 | H141 | H142 | 119.5° | 119.9° |
| C15 | C14 | C13 | H131 | 0.5° | 60.0° |
| C15 | C14 | C13 | H132 | 121.8° | 59.9° |
| C14 | C15 | C16 | HXT | 17.8° | 54.7° |
| C14 | C13 | C12 | H131 | 120.0° | 119.9° |
| C14 | C13 | C12 | H132 | 117.7° | 120.0° |
| C14 | C13 | C12 | C11 | 164.3° | 180.0° |
| C13 | C14 | C15 | H151 | 78.8° | 60.0° |
| C13 | C14 | C15 | H152 | 43.4° | 60.0° |
| C13 | C14 | H141 | H142 | 119.5° | 120.1° |
| C14 | C13 | H131 | H132 | 117.9° | 120.0° |
| C14 | C13 | C12 | H121 | 44.3° | 60.0° |
| C14 | C13 | C12 | H122 | 77.9° | 60.0° |
| C13 | C12 | C11 | H121 | 120.0° | 120.0° |
| C13 | C12 | C11 | H122 | 117.8° | 120.1° |
| C13 | C12 | C11 | C10 | 178.9° | 180.0° |
| C12 | C13 | C14 | H141 | 119.5° | 60.0° |
| C12 | C13 | C14 | H142 | 1.0° | 60.0° |
| C12 | C13 | H131 | H132 | 117.9° | 120.1° |
| C13 | C12 | H121 | H122 | 118.0° | 120.0° |
| C13 | C12 | C11 | H111 | 61.1° | 60.0° |
| C13 | C12 | C11 | H112 | 60.3° | 60.0° |
| C12 | C11 | C10 | H111 | 120.0° | 120.0° |
| C12 | C11 | C10 | H112 | 118.5° | 120.1° |
| C12 | C11 | C10 | C9 | 147.1° | 180.0° |
| C11 | C12 | C13 | H131 | 75.7° | 60.1° |
| C11 | C12 | C13 | H132 | 46.6° | 60.0° |
| C11 | C12 | H121 | H122 | 117.9° | 120.0° |
| C12 | C11 | H111 | H112 | 118.6° | 120.0° |
| C12 | C11 | C10 | H101 | 27.1° | 60.0° |
| C12 | C11 | C10 | H102 | 93.9° | 60.0° |
| C11 | C10 | C9 | H101 | 120.0° | 119.9° |
| C11 | C10 | C9 | H102 | 119.1° | 120.1° |
| C11 | C10 | C9 | C8 | 140.0° | 180.0° |
| C10 | C11 | C12 | H121 | 58.9° | 60.0° |
| C10 | C11 | C12 | H122 | 63.3° | 59.9° |
| C10 | C11 | H111 | H112 | 118.7° | 119.9° |
| C11 | C10 | H101 | H102 | 119.1° | 120.0° |
| C11 | C10 | C9 | H91C | 100.0° | 60.0° |
| C11 | C10 | C9 | H92C | 24.3° | 59.9° |
| C10 | C9 | C8 | H91C | 120.0° | 120.0° |
| C10 | C9 | C8 | H92C | 115.7° | 120.0° |
| C10 | C9 | C8 | C7 | 12.6° | 180.0° |
| C9 | C10 | C11 | H111 | 92.9° | 60.0° |
| C9 | C10 | C11 | H112 | 28.5° | 59.9° |
| C9 | C10 | H101 | H102 | 119.1° | 120.0° |
| C10 | C9 | H91C | H92C | 116.3° | 120.0° |
| C10 | C9 | C8 | H81C | 107.4° | 60.0° |
| C10 | C9 | C8 | H82C | 128.6° | 60.0° |
| C9 | C8 | C7 | H81C | 120.0° | 120.0° |
| C9 | C8 | C7 | H82C | 116.0° | 119.9° |
| C9 | C8 | C7 | C6 | 70.1° | 125.1° |
| C8 | C9 | C10 | H101 | 20.0° | 60.0° |
| C8 | C9 | C10 | H102 | 101.0° | 60.0° |
| C8 | C9 | H91C | H92C | 116.3° | 120.0° |
| C9 | C8 | H81C | H82C | 116.5° | 120.0° |
| C9 | C8 | C7 | H7 | 109.9° | 55.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 179.5° | 180.0° |
| C7 | C8 | C9 | H91C | 132.6° | 60.0° |
| C7 | C8 | C9 | H92C | 103.1° | 60.0° |
| C7 | C8 | H81C | H82C | 116.5° | 120.1° |
| C8 | C7 | C6 | H6 | 0.5° | 0.1° |
| C7 | C6 | C5 | H6 | 180.0° | 179.9° |
| C7 | C6 | C5 | C4 | 101.4° | 175.2° |
| C6 | C7 | C8 | H81C | 169.9° | 5.1° |
| C6 | C7 | C8 | H82C | 45.9° | 115.0° |
| C7 | C6 | C5 | H5 | 78.5° | 4.8° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 1.1° | 6.1° |
| C5 | C6 | C7 | H7 | 0.5° | 0.1° |
| C6 | C5 | C4 | H4 | 178.9° | 173.9° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 114.9° | 126.0° |
| C4 | C5 | C6 | H6 | 78.6° | 4.7° |
| C5 | C4 | C3 | H31C | 5.1° | 114.0° |
| C5 | C4 | C3 | H32C | 125.5° | 6.0° |
| C4 | C3 | C2 | H31C | 120.0° | 120.0° |
| C4 | C3 | C2 | H32C | 119.6° | 120.0° |
| C4 | C3 | C2 | C1 | 115.8° | 180.0° |
| C3 | C4 | C5 | H5 | 178.9° | 173.8° |
| C4 | C3 | H31C | H32C | 119.6° | 120.0° |
| C4 | C3 | C2 | H21C | 4.1° | 60.0° |
| C4 | C3 | C2 | H22C | 124.9° | 60.0° |
| C3 | C2 | C1 | H21C | 120.0° | 120.0° |
| C3 | C2 | C1 | H22C | 119.3° | 120.0° |
| C2 | C3 | C4 | H4 | 65.1° | 54.0° |
| C2 | C3 | H31C | H32C | 119.6° | 120.0° |
| C3 | C2 | H21C | H22C | 119.3° | 120.0° |
| C3 | C2 | C1 | H11C | 161.0° | 60.0° |
| C3 | C2 | C1 | H12C | 79.0° | 60.0° |
| C3 | C2 | C1 | H13C | 41.0° | 180.0° |
| C1 | C2 | C3 | H31C | 124.2° | 60.0° |
| C1 | C2 | C3 | H32C | 3.8° | 60.0° |
| C1 | C2 | H21C | H22C | 119.3° | 120.0° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.1° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| H151 | C15 | C14 | H141 | 161.2° | 180.0° |
| H151 | C15 | C14 | H142 | 40.7° | 60.0° |
| H151 | C15 | C16 | HXT | 102.1° | 65.2° |
| H152 | C15 | C14 | H141 | 76.5° | 60.0° |
| H152 | C15 | C14 | H142 | 162.9° | 180.0° |
| H152 | C15 | C16 | HXT | 135.6° | 174.8° |
| H141 | C14 | C13 | H131 | 120.5° | 180.0° |
| H141 | C14 | C13 | H132 | 1.8° | 60.0° |
| H142 | C14 | C13 | H131 | 119.0° | 60.0° |
| H142 | C14 | C13 | H132 | 118.8° | 180.0° |
| H131 | C13 | C12 | H121 | 164.3° | 180.0° |
| H131 | C13 | C12 | H122 | 42.1° | 60.0° |
| H132 | C13 | C12 | H121 | 73.5° | 60.0° |
| H132 | C13 | C12 | H122 | 164.4° | NaN° |
| H121 | C12 | C11 | H111 | 178.9° | 180.0° |
| H121 | C12 | C11 | H112 | 59.7° | 60.0° |
| H122 | C12 | C11 | H111 | 56.7° | 60.0° |
| H122 | C12 | C11 | H112 | 178.1° | 180.0° |
| H111 | C11 | C10 | H101 | 147.1° | 180.0° |
| H111 | C11 | C10 | H102 | 26.1° | 60.0° |
| H112 | C11 | C10 | H101 | 91.5° | 60.0° |
| H112 | C11 | C10 | H102 | 147.6° | 180.0° |
| H101 | C10 | C9 | H91C | 140.0° | 179.9° |
| H101 | C10 | C9 | H92C | 95.7° | 60.0° |
| H102 | C10 | C9 | H91C | 19.0° | 60.0° |
| H102 | C10 | C9 | H92C | 143.4° | 180.0° |
| H91C | C9 | C8 | H81C | 12.6° | 180.0° |
| H91C | C9 | C8 | H82C | 111.4° | 60.0° |
| H92C | C9 | C8 | H81C | 136.9° | 60.0° |
| H92C | C9 | C8 | H82C | 12.9° | 180.0° |
| H81C | C8 | C7 | H7 | 10.1° | 175.0° |
| H82C | C8 | C7 | H7 | 134.1° | 64.9° |
| H7 | C7 | C6 | H6 | 179.5° | 180.0° |
| H6 | C6 | C5 | H5 | 101.5° | 175.2° |
| H5 | C5 | C4 | H4 | 1.1° | 6.2° |
| H4 | C4 | C3 | H31C | 174.9° | 66.0° |
| H4 | C4 | C3 | H32C | 54.5° | 174.0° |
| H31C | C3 | C2 | H21C | 115.8° | 180.0° |
| H31C | C3 | C2 | H22C | 4.9° | 60.0° |
| H32C | C3 | C2 | H21C | 123.8° | 60.0° |
| H32C | C3 | C2 | H22C | 115.5° | 180.0° |
| H21C | C2 | C1 | H11C | 41.0° | 180.0° |
| H21C | C2 | C1 | H12C | 161.0° | 60.0° |
| H21C | C2 | C1 | H13C | 79.0° | 60.0° |
| H22C | C2 | C1 | H11C | 79.8° | 60.0° |
| H22C | C2 | C1 | H12C | 40.2° | 180.0° |
| H22C | C2 | C1 | H13C | 160.3° | 60.1° |
| H11C | C1 | H12C | H13C | 120.0° | 119.9° |
