MPG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | C10 | doub | 1.31Å | 1.35Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| O1 | C1 | sing | 1.45Å | 1.42Å | |
| O1 | CX3 | sing | 1.34Å | 1.42Å | |
| CXD | O2 | sing | 1.43Å | 1.43Å | |
| CXD | C21 | sing | 1.53Å | 1.53Å | |
| CXD | CX3 | sing | 1.51Å | 1.53Å | |
| C21 | O3 | sing | 1.43Å | 1.42Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| CX3 | O4 | doub | 1.21Å | 70.58Å | |
| 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 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C1 | HX31 | sing | 1.09Å | 1.10Å | |
| C1 | HX32 | sing | 1.09Å | 1.10Å | |
| CXD | HXD | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 116.1° | 109.5° |
| C2 | C3 | C4 | 109.7° | 109.4° |
| C3 | C2 | H21C | 107.8° | 109.5° |
| C3 | C2 | H22C | 107.8° | 109.5° |
| C2 | C3 | H31C | 109.4° | 109.5° |
| C2 | C3 | H32C | 109.4° | 109.5° |
| C2 | C1 | O1 | 109.5° | 109.5° |
| C1 | C2 | H21C | 107.8° | 109.4° |
| C1 | C2 | H22C | 107.8° | 109.4° |
| C2 | C1 | HX31 | 109.5° | 109.4° |
| C2 | C1 | HX32 | 109.4° | 109.5° |
| C3 | C4 | C5 | 110.7° | 109.5° |
| C4 | C3 | H31C | 109.4° | 109.5° |
| C4 | C3 | H32C | 109.4° | 109.5° |
| C3 | C4 | H41C | 109.2° | 109.4° |
| C3 | C4 | H42C | 109.1° | 109.5° |
| C4 | C5 | C6 | 110.1° | 109.5° |
| C5 | C4 | H41C | 109.1° | 109.5° |
| C5 | C4 | H42C | 109.2° | 109.5° |
| C4 | C5 | H51C | 109.3° | 109.4° |
| C4 | C5 | H52C | 109.3° | 109.5° |
| C5 | C6 | C7 | 110.5° | 109.5° |
| C6 | C5 | H51C | 109.3° | 109.5° |
| C6 | C5 | H52C | 109.3° | 109.4° |
| C5 | C6 | H61C | 109.2° | 109.5° |
| C5 | C6 | H62C | 109.2° | 109.4° |
| C6 | C7 | C8 | 111.9° | 109.5° |
| C7 | C6 | H61C | 109.2° | 109.5° |
| C7 | C6 | H62C | 109.2° | 109.4° |
| C6 | C7 | H71C | 108.8° | 109.5° |
| C6 | C7 | H72C | 108.9° | 109.4° |
| C7 | C8 | C9 | 109.8° | 109.5° |
| C8 | C7 | H71C | 108.9° | 109.5° |
| C8 | C7 | H72C | 108.9° | 109.4° |
| C7 | C8 | H81C | 109.4° | 109.5° |
| C7 | C8 | H82C | 109.4° | 109.4° |
| C8 | C9 | C10 | 128.5° | 120.0° |
| C9 | C8 | H81C | 109.4° | 109.5° |
| C9 | C8 | H82C | 109.4° | 109.5° |
| C8 | C9 | H9 | 115.8° | 120.0° |
| C9 | C10 | C11 | 128.8° | 120.0° |
| C10 | C9 | H9 | 115.8° | 120.0° |
| C9 | C10 | H10 | 115.6° | 120.0° |
| C10 | C11 | C12 | 109.8° | 109.5° |
| C11 | C10 | H10 | 115.6° | 120.0° |
| C10 | C11 | H111 | 109.4° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| C11 | C12 | C13 | 114.0° | 109.5° |
| C12 | C11 | H111 | 109.4° | 109.5° |
| C12 | C11 | H112 | 109.4° | 109.5° |
| C11 | C12 | H121 | 108.3° | 109.5° |
| C11 | C12 | H122 | 108.3° | 109.4° |
| C12 | C13 | C14 | 107.1° | 109.4° |
| C13 | C12 | H121 | 108.3° | 109.4° |
| C13 | C12 | H122 | 108.3° | 109.5° |
| C12 | C13 | H131 | 110.1° | 109.5° |
| C12 | C13 | H132 | 110.1° | 109.5° |
| C13 | C14 | C15 | 115.1° | 109.4° |
| C14 | C13 | H131 | 110.1° | 109.5° |
| C14 | C13 | H132 | 110.0° | 109.5° |
| C13 | C14 | H141 | 108.1° | 109.5° |
| C13 | C14 | H142 | 108.1° | 109.5° |
| C14 | C15 | C16 | 106.9° | 109.5° |
| C15 | C14 | H141 | 108.0° | 109.4° |
| C15 | C14 | H142 | 108.0° | 109.5° |
| C14 | C15 | H151 | 110.1° | 109.5° |
| C14 | C15 | H152 | 110.1° | 109.5° |
| C15 | C16 | C17 | 113.0° | 109.5° |
| C16 | C15 | H151 | 110.1° | 109.5° |
| C16 | C15 | H152 | 110.1° | 109.4° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.5° |
| C16 | C17 | C18 | 113.3° | 109.5° |
| C17 | C16 | H161 | 108.5° | 109.4° |
| C17 | C16 | H162 | 108.6° | 109.5° |
| C16 | C17 | H171 | 108.5° | 109.4° |
| C16 | C17 | H172 | 108.5° | 109.5° |
| C18 | C17 | H171 | 108.5° | 109.5° |
| C18 | C17 | H172 | 108.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.4° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| C1 | O1 | CX3 | 115.6° | 117.0° |
| O1 | C1 | HX31 | 109.4° | 109.5° |
| O1 | C1 | HX32 | 109.5° | 109.5° |
| O1 | CX3 | CXD | 111.0° | 120.0° |
| O1 | CX3 | O4 | 154.8° | 120.0° |
| O2 | CXD | C21 | 109.5° | 109.5° |
| O2 | CXD | CX3 | 110.8° | 109.4° |
| O2 | CXD | HXD | 109.8° | 109.5° |
| CXD | O2 | H2 | 109.5° | 114.0° |
| C21 | CXD | CX3 | 109.7° | 109.5° |
| CXD | C21 | O3 | 110.8° | 109.5° |
| C21 | CXD | HXD | 108.5° | 109.5° |
| CXD | C21 | H211 | 109.1° | 109.5° |
| CXD | C21 | H212 | 109.2° | 109.5° |
| CXD | CX3 | O4 | 67.4° | 120.0° |
| CX3 | CXD | HXD | 108.5° | 109.5° |
| O3 | C21 | H211 | 109.1° | 109.4° |
| O3 | C21 | H212 | 109.1° | 109.5° |
| C21 | O3 | H3 | 109.5° | 114.0° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H41C | C4 | H42C | 109.5° | 109.5° |
| H51C | C5 | H52C | 109.4° | 109.5° |
| H61C | C6 | H62C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H181 | C18 | H182 | 109.4° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| HX31 | C1 | HX32 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H21C | 120.9° | 120.0° |
| C3 | C2 | C1 | H22C | 121.0° | 120.0° |
| C2 | C3 | C4 | H31C | 120.0° | 120.0° |
| C2 | C3 | C4 | H32C | 120.0° | 120.0° |
| C2 | C3 | C4 | C5 | 173.7° | 180.0° |
| C3 | C2 | C1 | O1 | 175.3° | 180.0° |
| C3 | C2 | H21C | H22C | 117.0° | 120.1° |
| C2 | C3 | H31C | H32C | 119.9° | 120.0° |
| C2 | C3 | C4 | H41C | 66.2° | 60.0° |
| C2 | C3 | C4 | H42C | 53.5° | 60.0° |
| C3 | C2 | C1 | HX31 | 55.3° | 60.0° |
| C3 | C2 | C1 | HX32 | 64.7° | 60.0° |
| C1 | C2 | C3 | C4 | 176.0° | 180.0° |
| C2 | C1 | O1 | HX31 | 120.0° | 120.0° |
| C2 | C1 | O1 | HX32 | 120.0° | 120.0° |
| C2 | C1 | O1 | CX3 | 145.0° | 180.0° |
| C1 | C2 | H21C | H22C | 117.0° | 119.9° |
| C1 | C2 | C3 | H31C | 56.0° | 60.0° |
| C1 | C2 | C3 | H32C | 64.0° | 60.0° |
| C2 | C1 | HX31 | HX32 | 120.0° | 120.0° |
| C3 | C4 | C5 | H41C | 120.2° | 119.9° |
| C3 | C4 | C5 | H42C | 120.2° | 120.0° |
| C3 | C4 | C5 | C6 | 177.1° | 180.0° |
| C4 | C3 | C2 | H21C | 55.0° | 60.0° |
| C4 | C3 | C2 | H22C | 63.0° | 60.1° |
| C4 | C3 | H31C | H32C | 119.9° | 120.0° |
| C3 | C4 | H41C | H42C | 119.4° | 120.0° |
| C3 | C4 | C5 | H51C | 56.9° | 60.0° |
| C3 | C4 | C5 | H52C | 62.8° | 60.0° |
| C4 | C5 | C6 | H51C | 120.1° | 120.0° |
| C4 | C5 | C6 | H52C | 120.1° | 120.1° |
| C4 | C5 | C6 | C7 | 177.7° | 179.9° |
| C5 | C4 | C3 | H31C | 53.7° | 60.0° |
| C5 | C4 | C3 | H32C | 66.3° | 60.0° |
| C5 | C4 | H41C | H42C | 119.4° | 120.1° |
| C4 | C5 | H51C | H52C | 119.7° | 120.0° |
| C4 | C5 | C6 | H61C | 57.6° | 60.0° |
| C4 | C5 | C6 | H62C | 62.1° | 60.0° |
| C5 | C6 | C7 | H61C | 120.1° | 120.0° |
| C5 | C6 | C7 | H62C | 120.2° | 119.9° |
| C5 | C6 | C7 | C8 | 179.7° | 180.0° |
| C6 | C5 | C4 | H41C | 62.8° | 60.0° |
| C6 | C5 | C4 | H42C | 56.9° | 60.0° |
| C6 | C5 | H51C | H52C | 119.7° | 120.0° |
| C5 | C6 | H61C | H62C | 119.6° | 120.0° |
| C5 | C6 | C7 | H71C | 59.9° | 60.0° |
| C5 | C6 | C7 | H72C | 59.3° | 60.1° |
| C6 | C7 | C8 | H71C | 120.4° | 120.0° |
| C6 | C7 | C8 | H72C | 120.4° | 119.9° |
| C6 | C7 | C8 | C9 | 177.4° | 180.0° |
| C7 | C6 | C5 | H51C | 62.2° | 60.0° |
| C7 | C6 | C5 | H52C | 57.6° | 60.0° |
| C7 | C6 | H61C | H62C | 119.5° | 120.0° |
| C6 | C7 | H71C | H72C | 118.9° | 120.0° |
| C6 | C7 | C8 | H81C | 57.4° | 60.0° |
| C6 | C7 | C8 | H82C | 62.5° | 60.1° |
| C7 | C8 | C9 | H81C | 120.0° | 120.0° |
| C7 | C8 | C9 | H82C | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 172.1° | 127.6° |
| C8 | C7 | C6 | H61C | 59.5° | 60.0° |
| C8 | C7 | C6 | H62C | 60.2° | 60.1° |
| C8 | C7 | H71C | H72C | 118.9° | 120.0° |
| C7 | C8 | H81C | H82C | 119.9° | 120.0° |
| C7 | C8 | C9 | H9 | 7.9° | 52.4° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.1° | 7.5° |
| C9 | C8 | C7 | H71C | 62.2° | 60.0° |
| C9 | C8 | C7 | H72C | 57.1° | 60.0° |
| C9 | C8 | H81C | H82C | 119.9° | 120.0° |
| C8 | C9 | C10 | H10 | 179.9° | 172.4° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 179.9° | 126.4° |
| C10 | C9 | C8 | H81C | 67.9° | 7.6° |
| C10 | C9 | C8 | H82C | 52.1° | 112.4° |
| C9 | C10 | C11 | H111 | 60.1° | 113.7° |
| C9 | C10 | C11 | H112 | 59.9° | 6.4° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 120.0° | 120.0° |
| C10 | C11 | C12 | C13 | 177.4° | 180.0° |
| C11 | C10 | C9 | H9 | 179.9° | 172.5° |
| C10 | C11 | H111 | H112 | 119.9° | 120.0° |
| C10 | C11 | C12 | H121 | 62.0° | 60.0° |
| C10 | C11 | C12 | H122 | 56.7° | 60.0° |
| C11 | C12 | C13 | H121 | 120.6° | 120.0° |
| C11 | C12 | C13 | H122 | 120.7° | 120.0° |
| C11 | C12 | C13 | C14 | 176.4° | 180.0° |
| C12 | C11 | C10 | H10 | 0.1° | 53.7° |
| C12 | C11 | H111 | H112 | 119.9° | 120.0° |
| C11 | C12 | H121 | H122 | 117.9° | 120.0° |
| C11 | C12 | C13 | H131 | 64.0° | 60.0° |
| C11 | C12 | C13 | H132 | 56.8° | 60.0° |
| C12 | C13 | C14 | H131 | 119.6° | 120.0° |
| C12 | C13 | C14 | H132 | 119.6° | 120.0° |
| C12 | C13 | C14 | C15 | 174.7° | 180.0° |
| C13 | C12 | C11 | H111 | 57.3° | 60.0° |
| C13 | C12 | C11 | H112 | 62.6° | 60.0° |
| C13 | C12 | H121 | H122 | 117.9° | 120.1° |
| C12 | C13 | H131 | H132 | 121.1° | 120.0° |
| C12 | C13 | C14 | H141 | 64.5° | 60.1° |
| C12 | C13 | C14 | H142 | 53.8° | 60.0° |
| C13 | C14 | C15 | H141 | 120.8° | 119.9° |
| C13 | C14 | C15 | H142 | 120.8° | 120.0° |
| C13 | C14 | C15 | C16 | 177.8° | 180.0° |
| C14 | C13 | C12 | H121 | 55.7° | 60.1° |
| C14 | C13 | C12 | H122 | 62.9° | 60.0° |
| C14 | C13 | H131 | H132 | 121.1° | 120.1° |
| C13 | C14 | H141 | H142 | 117.5° | 120.1° |
| C13 | C14 | C15 | H151 | 58.2° | 60.0° |
| C13 | C14 | C15 | H152 | 62.6° | 60.0° |
| C14 | C15 | C16 | H151 | 119.6° | 120.0° |
| C14 | C15 | C16 | H152 | 119.6° | 120.0° |
| C14 | C15 | C16 | C17 | 170.8° | 180.0° |
| C15 | C14 | C13 | H131 | 55.0° | 60.0° |
| C15 | C14 | C13 | H132 | 65.7° | 60.0° |
| C15 | C14 | H141 | H142 | 117.4° | 120.0° |
| C14 | C15 | H151 | H152 | 121.2° | 120.0° |
| C14 | C15 | C16 | H161 | 68.7° | 60.0° |
| C14 | C15 | C16 | H162 | 50.3° | 59.9° |
| C15 | C16 | C17 | H161 | 120.5° | 120.0° |
| C15 | C16 | C17 | H162 | 120.5° | 120.0° |
| C15 | C16 | C17 | C18 | 178.5° | 180.0° |
| C16 | C15 | C14 | H141 | 61.4° | 60.0° |
| C16 | C15 | C14 | H142 | 56.9° | 60.0° |
| C16 | C15 | H151 | H152 | 121.2° | 120.0° |
| C15 | C16 | H161 | H162 | 118.4° | 120.0° |
| C15 | C16 | C17 | H171 | 58.0° | 60.0° |
| C15 | C16 | C17 | H172 | 60.9° | 60.0° |
| C16 | C17 | C18 | H171 | 120.6° | 120.0° |
| C16 | C17 | C18 | H172 | 120.6° | 120.0° |
| C17 | C16 | C15 | H151 | 51.2° | 60.0° |
| C17 | C16 | C15 | H152 | 69.5° | 60.0° |
| C17 | C16 | H161 | H162 | 118.4° | 120.0° |
| C16 | C17 | H171 | H172 | 118.2° | 119.9° |
| C16 | C17 | C18 | H181 | 180.0° | 180.0° |
| C16 | C17 | C18 | H182 | 60.0° | 60.0° |
| C16 | C17 | C18 | H183 | 60.0° | 60.0° |
| C18 | C17 | C16 | H161 | 61.0° | 60.0° |
| C18 | C17 | C16 | H162 | 58.0° | 59.9° |
| C18 | C17 | H171 | H172 | 118.2° | 120.1° |
| C17 | C18 | H181 | H182 | 120.0° | 119.9° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| C1 | O1 | CX3 | CXD | 94.2° | 180.0° |
| O1 | C1 | C2 | H21C | 63.8° | 60.0° |
| O1 | C1 | C2 | H22C | 54.3° | 60.0° |
| C1 | O1 | CX3 | O4 | 175.6° | 0.0° |
| O1 | C1 | HX31 | HX32 | 120.0° | 120.0° |
| O1 | CX3 | CXD | O2 | 11.3° | 175.0° |
| O1 | CX3 | CXD | C21 | 132.3° | 65.1° |
| O1 | CX3 | CXD | O4 | 152.8° | 179.9° |
| CX3 | O1 | C1 | HX31 | 25.0° | 60.0° |
| CX3 | O1 | C1 | HX32 | 95.0° | 60.0° |
| O1 | CX3 | CXD | HXD | 109.4° | 55.0° |
| O2 | CXD | C21 | CX3 | 121.8° | 119.9° |
| O2 | CXD | C21 | HXD | 119.9° | 120.1° |
| O2 | CXD | CX3 | HXD | 120.6° | 120.0° |
| O2 | CXD | C21 | O3 | 58.9° | 65.0° |
| O2 | CXD | CX3 | O4 | 164.1° | 5.0° |
| O2 | CXD | C21 | H211 | 179.2° | 175.0° |
| O2 | CXD | C21 | H212 | 61.3° | 55.0° |
| C21 | CXD | CX3 | HXD | 118.3° | 120.0° |
| CXD | C21 | O3 | H211 | 120.2° | 120.0° |
| CXD | C21 | O3 | H212 | 120.2° | 120.0° |
| C21 | CXD | CX3 | O4 | 74.9° | 115.0° |
| C21 | CXD | O2 | H2 | 180.0° | 60.0° |
| CXD | C21 | H211 | H212 | 119.4° | 120.1° |
| CXD | C21 | O3 | H3 | 180.0° | 180.0° |
| CX3 | CXD | C21 | O3 | 179.3° | 175.0° |
| CX3 | CXD | O2 | H2 | 58.9° | 60.0° |
| CX3 | CXD | C21 | H211 | 59.1° | 55.1° |
| CX3 | CXD | C21 | H212 | 60.5° | 65.0° |
| O3 | C21 | CXD | HXD | 60.9° | 55.0° |
| O3 | C21 | H211 | H212 | 119.4° | 120.0° |
| H21C | C2 | C3 | H31C | 65.0° | 60.0° |
| H21C | C2 | C3 | H32C | 175.1° | 180.0° |
| H21C | C2 | C1 | HX31 | 176.2° | 179.9° |
| H21C | C2 | C1 | HX32 | 56.2° | 60.0° |
| H22C | C2 | C3 | H31C | 176.9° | 180.0° |
| H22C | C2 | C3 | H32C | 57.0° | 59.9° |
| H22C | C2 | C1 | HX31 | 65.7° | 60.0° |
| H22C | C2 | C1 | HX32 | 174.3° | 180.0° |
| H31C | C3 | C4 | H41C | 173.8° | 180.0° |
| H31C | C3 | C4 | H42C | 66.5° | 60.0° |
| H32C | C3 | C4 | H41C | 53.9° | 60.0° |
| H32C | C3 | C4 | H42C | 173.5° | 180.0° |
| O4 | CX3 | CXD | HXD | 43.4° | 125.0° |
| H41C | C4 | C5 | H51C | 177.1° | 180.0° |
| H41C | C4 | C5 | H52C | 57.3° | 60.0° |
| H42C | C4 | C5 | H51C | 63.2° | 60.0° |
| H42C | C4 | C5 | H52C | 177.0° | 180.0° |
| H51C | C5 | C6 | H61C | 177.7° | 180.0° |
| H51C | C5 | C6 | H62C | 58.0° | 60.0° |
| H52C | C5 | C6 | H61C | 62.5° | 60.0° |
| H52C | C5 | C6 | H62C | 177.8° | 179.9° |
| H61C | C6 | C7 | H71C | 179.9° | NaN° |
| H61C | C6 | C7 | H72C | 60.8° | 60.0° |
| H62C | C6 | C7 | H71C | 60.2° | 60.0° |
| H62C | C6 | C7 | H72C | 179.5° | 180.0° |
| H71C | C7 | C8 | H81C | 177.7° | 180.0° |
| H71C | C7 | C8 | H82C | 57.8° | 60.0° |
| H72C | C7 | C8 | H81C | 63.0° | 60.0° |
| H72C | C7 | C8 | H82C | 177.1° | 180.0° |
| H81C | C8 | C9 | H9 | 112.1° | 172.4° |
| H82C | C8 | C9 | H9 | 127.9° | 67.6° |
| H9 | C9 | C10 | H10 | 0.1° | 7.6° |
| H10 | C10 | C11 | H111 | 119.9° | 66.3° |
| H10 | C10 | C11 | H112 | 120.1° | 173.7° |
| H111 | C11 | C12 | H121 | 178.0° | 180.0° |
| H111 | C11 | C12 | H122 | 63.3° | 60.0° |
| H112 | C11 | C12 | H121 | 58.0° | 60.0° |
| H112 | C11 | C12 | H122 | 176.7° | 180.0° |
| H121 | C12 | C13 | H131 | 175.4° | 180.0° |
| H121 | C12 | C13 | H132 | 63.9° | 60.0° |
| H122 | C12 | C13 | H131 | 56.7° | 60.0° |
| H122 | C12 | C13 | H132 | 177.4° | 180.0° |
| H131 | C13 | C14 | H141 | 175.9° | 180.0° |
| H131 | C13 | C14 | H142 | 65.8° | 60.0° |
| H132 | C13 | C14 | H141 | 55.1° | 59.9° |
| H132 | C13 | C14 | H142 | 173.5° | 180.0° |
| H141 | C14 | C15 | H151 | 179.0° | 180.0° |
| H141 | C14 | C15 | H152 | 58.2° | 59.9° |
| H142 | C14 | C15 | H151 | 62.7° | 60.0° |
| H142 | C14 | C15 | H152 | 176.6° | 179.9° |
| H151 | C15 | C16 | H161 | 171.7° | 180.0° |
| H151 | C15 | C16 | H162 | 69.3° | 60.0° |
| H152 | C15 | C16 | H161 | 51.0° | 59.9° |
| H152 | C15 | C16 | H162 | 170.0° | 179.9° |
| H161 | C16 | C17 | H171 | 178.5° | 179.9° |
| H161 | C16 | C17 | H172 | 59.6° | 60.0° |
| H162 | C16 | C17 | H171 | 62.6° | 60.1° |
| H162 | C16 | C17 | H172 | 178.6° | 180.0° |
| H171 | C17 | C18 | H181 | 59.4° | 60.1° |
| H171 | C17 | C18 | H182 | 179.4° | 180.0° |
| H171 | C17 | C18 | H183 | 60.6° | 60.0° |
| H172 | C17 | C18 | H181 | 59.4° | 60.0° |
| H172 | C17 | C18 | H182 | 60.6° | 60.0° |
| H172 | C17 | C18 | H183 | 179.4° | 180.0° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| HXD | CXD | O2 | H2 | 61.0° | 180.0° |
| HXD | CXD | C21 | H211 | 59.3° | 65.0° |
| HXD | CXD | C21 | H212 | 178.8° | 175.0° |
| H211 | C21 | O3 | H3 | 59.8° | 59.9° |
| H212 | C21 | O3 | H3 | 59.8° | 60.0° |
