SPL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1 | sing | 1.43Å | 1.44Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C2 | N2 | sing | 1.46Å | 1.47Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| N2 | C19 | sing | 1.35Å | 1.36Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C3 | O3 | sing | 1.43Å | 1.49Å | |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C5 | doub | 1.31Å | 1.38Å | |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.50Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.67Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.66Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.41Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C19 | O19 | doub | 1.21Å | 1.30Å | |
| C19 | C20 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.60Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.50Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.56Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | C2 | 122.4° | 109.5° |
| O1 | C1 | H11 | 107.6° | 109.5° |
| O1 | C1 | H12 | 107.7° | 109.5° |
| C1 | O1 | HO1 | 122.4° | 106.8° |
| C2 | C1 | H11 | 107.6° | 109.4° |
| C2 | C1 | H12 | 107.6° | 109.4° |
| C1 | C2 | N2 | 126.6° | 109.4° |
| C1 | C2 | C3 | 113.2° | 109.4° |
| C1 | C2 | H2 | 94.7° | 109.5° |
| H11 | C1 | H12 | 102.2° | 109.4° |
| N2 | C2 | C3 | 120.2° | 109.5° |
| N2 | C2 | H2 | 31.9° | 109.5° |
| C2 | N2 | C19 | 120.9° | 120.1° |
| C2 | N2 | HN2 | 123.6° | 120.0° |
| C3 | C2 | H2 | 152.1° | 109.5° |
| C2 | C3 | O3 | 92.3° | 109.5° |
| C2 | C3 | C4 | 122.8° | 109.4° |
| C2 | C3 | H3 | 109.2° | 109.5° |
| C19 | N2 | HN2 | 115.4° | 120.0° |
| N2 | C19 | O19 | 116.4° | 120.0° |
| N2 | C19 | C20 | 125.5° | 120.1° |
| O3 | C3 | C4 | 96.4° | 109.4° |
| O3 | C3 | H3 | 131.9° | 109.5° |
| C3 | O3 | HO3 | 92.3° | 106.9° |
| C4 | C3 | H3 | 105.9° | 109.5° |
| C3 | C4 | C5 | 116.1° | 120.0° |
| C3 | C4 | H4 | 126.2° | 120.0° |
| C5 | C4 | H4 | 117.7° | 120.0° |
| C4 | C5 | C6 | 112.2° | 120.0° |
| C4 | C5 | H5 | 120.2° | 120.0° |
| C6 | C5 | H5 | 127.6° | 120.0° |
| C5 | C6 | C7 | 109.2° | 109.4° |
| C5 | C6 | H61 | 112.3° | 109.5° |
| C5 | C6 | H62 | 112.3° | 109.4° |
| C7 | C6 | H61 | 112.3° | 109.5° |
| C7 | C6 | H62 | 112.3° | 109.6° |
| C6 | C7 | C8 | 110.8° | 109.4° |
| C6 | C7 | H71 | 111.7° | 109.4° |
| C6 | C7 | H72 | 111.7° | 109.5° |
| H61 | C6 | H62 | 98.2° | 109.5° |
| C8 | C7 | H71 | 111.7° | 109.5° |
| C8 | C7 | H72 | 111.7° | 109.5° |
| C7 | C8 | C9 | 109.8° | 109.5° |
| C7 | C8 | H81 | 112.1° | 109.5° |
| C7 | C8 | H82 | 112.1° | 109.5° |
| H71 | C7 | H72 | 98.6° | 109.5° |
| C9 | C8 | H81 | 112.1° | 109.5° |
| C9 | C8 | H82 | 112.0° | 109.5° |
| C8 | C9 | C10 | 118.6° | 109.5° |
| C8 | C9 | H91 | 108.9° | 109.4° |
| C8 | C9 | H92 | 108.9° | 109.4° |
| H81 | C8 | H82 | 98.4° | 109.4° |
| C10 | C9 | H91 | 108.9° | 109.5° |
| C10 | C9 | H92 | 108.9° | 109.4° |
| C9 | C10 | C11 | 113.0° | 109.5° |
| C9 | C10 | H101 | 110.9° | 109.5° |
| C9 | C10 | H102 | 110.9° | 109.4° |
| H91 | C9 | H92 | 101.1° | 109.6° |
| C11 | C10 | H101 | 110.9° | 109.5° |
| C11 | C10 | H102 | 110.9° | 109.4° |
| C10 | C11 | C12 | 113.1° | 109.5° |
| C10 | C11 | H111 | 110.9° | 109.5° |
| C10 | C11 | H112 | 110.8° | 109.4° |
| H101 | C10 | H102 | 99.5° | 109.5° |
| C12 | C11 | H111 | 110.9° | 109.5° |
| C12 | C11 | H112 | 110.9° | 109.5° |
| C11 | C12 | C13 | 117.9° | 109.5° |
| C11 | C12 | H121 | 109.1° | 109.5° |
| C11 | C12 | H122 | 109.1° | 109.5° |
| H111 | C11 | H112 | 99.5° | 109.5° |
| C13 | C12 | H121 | 109.2° | 109.5° |
| C13 | C12 | H122 | 109.2° | 109.4° |
| C12 | C13 | C14 | 111.5° | 109.5° |
| C12 | C13 | H131 | 111.4° | 109.5° |
| C12 | C13 | H132 | 111.4° | 109.4° |
| H121 | C12 | H122 | 101.0° | 109.4° |
| C14 | C13 | H131 | 111.5° | 109.5° |
| C14 | C13 | H132 | 111.4° | 109.5° |
| C13 | C14 | C15 | 112.7° | 109.5° |
| C13 | C14 | H141 | 111.0° | 109.5° |
| C13 | C14 | H142 | 111.0° | 109.5° |
| H131 | C13 | H132 | 98.9° | 109.4° |
| C15 | C14 | H141 | 111.0° | 109.4° |
| C15 | C14 | H142 | 111.0° | 109.5° |
| C14 | C15 | C16 | 112.3° | 109.5° |
| C14 | C15 | H151 | 111.1° | 109.4° |
| C14 | C15 | H152 | 111.1° | 109.5° |
| H141 | C14 | H142 | 99.3° | 109.5° |
| C16 | C15 | H151 | 111.2° | 109.4° |
| C16 | C15 | H152 | 111.2° | 109.5° |
| C15 | C16 | C17 | 112.6° | 109.6° |
| C15 | C16 | H161 | 111.0° | 109.4° |
| C15 | C16 | H162 | 111.0° | 109.4° |
| H151 | C15 | H152 | 99.2° | 109.5° |
| C17 | C16 | H161 | 111.1° | 109.5° |
| C17 | C16 | H162 | 111.1° | 109.4° |
| C16 | C17 | C18 | 112.7° | 109.5° |
| C16 | C17 | H171 | 111.0° | 109.5° |
| C16 | C17 | H172 | 111.0° | 109.5° |
| H161 | C16 | H162 | 99.3° | 109.5° |
| C18 | C17 | H171 | 111.1° | 109.5° |
| C18 | C17 | H172 | 111.1° | 109.4° |
| C17 | C18 | H181 | 112.7° | 109.5° |
| C17 | C18 | H182 | 111.0° | 109.4° |
| C17 | C18 | H183 | 111.0° | 109.5° |
| H171 | C17 | H172 | 99.2° | 109.4° |
| H181 | C18 | H182 | 111.0° | 109.4° |
| H181 | C18 | H183 | 111.1° | 109.5° |
| H182 | C18 | H183 | 99.3° | 109.5° |
| O19 | C19 | C20 | 118.1° | 120.0° |
| C19 | C20 | C21 | 125.1° | 109.5° |
| C19 | C20 | H201 | 106.7° | 109.5° |
| C19 | C20 | H202 | 106.7° | 109.5° |
| C21 | C20 | H201 | 106.7° | 109.4° |
| C21 | C20 | H202 | 106.7° | 109.4° |
| C20 | C21 | C22 | 113.8° | 109.6° |
| C20 | C21 | H211 | 110.7° | 109.5° |
| C20 | C21 | H212 | 110.7° | 109.5° |
| H201 | C20 | H202 | 102.9° | 109.4° |
| C22 | C21 | H211 | 110.6° | 109.5° |
| C22 | C21 | H212 | 110.6° | 109.4° |
| C21 | C22 | C23 | 111.5° | 109.6° |
| C21 | C22 | H221 | 111.5° | 109.5° |
| C21 | C22 | H222 | 111.5° | 109.5° |
| H211 | C21 | H212 | 99.7° | 109.4° |
| C23 | C22 | H221 | 111.4° | 109.4° |
| C23 | C22 | H222 | 111.4° | 109.4° |
| C22 | C23 | C24 | 111.7° | 109.6° |
| C22 | C23 | H231 | 111.4° | 109.5° |
| C22 | C23 | H232 | 111.4° | 109.5° |
| H221 | C22 | H222 | 98.9° | 109.4° |
| C24 | C23 | H231 | 111.4° | 109.4° |
| C24 | C23 | H232 | 111.4° | 109.4° |
| C23 | C24 | C25 | 113.9° | 109.6° |
| C23 | C24 | H241 | 110.6° | 109.5° |
| C23 | C24 | H242 | 110.6° | 109.5° |
| H231 | C23 | H232 | 99.0° | 109.4° |
| C25 | C24 | H241 | 110.6° | 109.4° |
| C25 | C24 | H242 | 110.5° | 109.4° |
| C24 | C25 | C26 | 112.7° | 109.6° |
| C24 | C25 | H251 | 111.0° | 109.5° |
| C24 | C25 | H252 | 111.0° | 109.4° |
| H241 | C24 | H242 | 99.7° | 109.4° |
| C26 | C25 | H251 | 111.1° | 109.5° |
| C26 | C25 | H252 | 111.0° | 109.5° |
| C25 | C26 | H261 | 112.7° | 109.5° |
| C25 | C26 | H262 | 111.0° | 109.4° |
| C25 | C26 | H263 | 111.0° | 109.4° |
| H251 | C25 | H252 | 99.3° | 109.5° |
| H261 | C26 | H262 | 111.0° | 109.5° |
| H261 | C26 | H263 | 111.1° | 109.5° |
| H262 | C26 | H263 | 99.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.2° | 120.1° |
| O1 | C1 | C2 | H12 | 125.3° | 120.0° |
| O1 | C1 | H11 | H12 | 113.2° | 120.0° |
| O1 | C1 | C2 | N2 | 0.0° | 65.2° |
| O1 | C1 | C2 | C3 | 180.0° | 54.8° |
| O1 | C1 | C2 | H2 | 0.3° | 174.8° |
| C2 | C1 | H11 | H12 | 113.1° | 119.9° |
| C2 | C1 | O1 | HO1 | 179.9° | 180.0° |
| C1 | C2 | N2 | C3 | 180.0° | 119.9° |
| C1 | C2 | N2 | H2 | 0.7° | 120.0° |
| C1 | C2 | C3 | H2 | 179.3° | 120.0° |
| C1 | C2 | N2 | C19 | 180.0° | 90.0° |
| C1 | C2 | N2 | HN2 | 0.0° | 90.0° |
| C1 | C2 | C3 | O3 | 92.0° | 60.9° |
| C1 | C2 | C3 | C4 | 7.1° | 179.1° |
| C1 | C2 | C3 | H3 | 131.8° | 59.1° |
| H11 | C1 | O1 | HO1 | 54.7° | 60.0° |
| H11 | C1 | C2 | N2 | 125.3° | 174.8° |
| H11 | C1 | C2 | C3 | 54.8° | 65.2° |
| H11 | C1 | C2 | H2 | 124.9° | 54.8° |
| H12 | C1 | O1 | HO1 | 54.8° | 60.0° |
| H12 | C1 | C2 | N2 | 125.3° | 54.8° |
| H12 | C1 | C2 | C3 | 54.7° | 174.8° |
| H12 | C1 | C2 | H2 | 125.6° | 65.2° |
| N2 | C2 | C3 | H2 | 0.7° | 120.0° |
| C2 | N2 | C19 | HN2 | 180.0° | 180.0° |
| N2 | C2 | C3 | O3 | 88.0° | 179.1° |
| N2 | C2 | C3 | C4 | 172.9° | 59.1° |
| N2 | C2 | C3 | H3 | 48.2° | 60.9° |
| C2 | N2 | C19 | O19 | 90.0° | 0.0° |
| C2 | N2 | C19 | C20 | 90.2° | 180.0° |
| C3 | C2 | N2 | C19 | 0.1° | 150.0° |
| C3 | C2 | N2 | HN2 | 180.0° | 30.0° |
| C2 | C3 | O3 | C4 | 123.3° | 120.0° |
| C2 | C3 | O3 | H3 | 118.6° | 120.0° |
| C2 | C3 | C4 | H3 | 126.2° | 120.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 54.0° |
| C2 | C3 | C4 | C5 | 172.2° | 119.9° |
| C2 | C3 | C4 | H4 | 7.8° | 60.0° |
| H2 | C2 | N2 | C19 | 179.3° | 30.0° |
| H2 | C2 | N2 | HN2 | 0.6° | 150.0° |
| H2 | C2 | C3 | O3 | 88.7° | 59.1° |
| H2 | C2 | C3 | C4 | 172.2° | 60.9° |
| H2 | C2 | C3 | H3 | 47.5° | 179.1° |
| N2 | C19 | O19 | C20 | 179.9° | 180.0° |
| N2 | C19 | C20 | C21 | 150.2° | 180.0° |
| N2 | C19 | C20 | H201 | 24.9° | 60.0° |
| N2 | C19 | C20 | H202 | 84.5° | 60.0° |
| HN2 | N2 | C19 | O19 | 90.1° | 180.0° |
| HN2 | N2 | C19 | C20 | 89.8° | 0.0° |
| O3 | C3 | C4 | H3 | 136.9° | 120.0° |
| O3 | C3 | C4 | C5 | 90.9° | 0.1° |
| O3 | C3 | C4 | H4 | 89.1° | 180.0° |
| C4 | C3 | O3 | HO3 | 56.7° | 66.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 106.4° | 180.0° |
| C3 | C4 | C5 | H5 | 73.6° | 0.1° |
| H3 | C3 | O3 | HO3 | 61.3° | 174.0° |
| H3 | C3 | C4 | C5 | 46.0° | 120.0° |
| H3 | C3 | C4 | H4 | 133.9° | 60.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 134.8° | 120.0° |
| C4 | C5 | C6 | H61 | 100.0° | 0.1° |
| C4 | C5 | C6 | H62 | 9.5° | 119.9° |
| H4 | C4 | C5 | C6 | 73.7° | 0.1° |
| H4 | C4 | C5 | H5 | 106.3° | 180.0° |
| C5 | C6 | C7 | H61 | 125.2° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 118.3° | 120.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C5 | C6 | C7 | H71 | 54.6° | 60.1° |
| C5 | C6 | C7 | H72 | 54.8° | 60.0° |
| H5 | C5 | C6 | C7 | 45.2° | 60.1° |
| H5 | C5 | C6 | H61 | 80.1° | 180.0° |
| H5 | C5 | C6 | H62 | 170.4° | 60.0° |
| C7 | C6 | H61 | H62 | 118.2° | 120.1° |
| C6 | C7 | C8 | H71 | 125.3° | 119.9° |
| C6 | C7 | C8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 117.6° | 120.0° |
| C6 | C7 | C8 | C9 | 178.8° | 179.9° |
| C6 | C7 | C8 | H81 | 56.0° | 60.0° |
| C6 | C7 | C8 | H82 | 53.6° | 59.9° |
| H61 | C6 | C7 | C8 | 54.8° | 60.0° |
| H61 | C6 | C7 | H71 | 179.9° | 180.0° |
| H61 | C6 | C7 | H72 | 70.5° | 60.0° |
| H62 | C6 | C7 | C8 | 54.7° | 60.0° |
| H62 | C6 | C7 | H71 | 70.6° | 59.9° |
| H62 | C6 | C7 | H72 | 180.0° | 180.0° |
| C8 | C7 | H71 | H72 | 117.6° | 120.0° |
| C7 | C8 | C9 | H81 | 125.2° | 120.0° |
| C7 | C8 | C9 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H82 | 118.0° | 120.0° |
| C7 | C8 | C9 | C10 | 179.9° | 180.0° |
| C7 | C8 | C9 | H91 | 54.7° | 60.0° |
| C7 | C8 | C9 | H92 | 54.8° | 60.1° |
| H71 | C7 | C8 | C9 | 53.5° | 60.0° |
| H71 | C7 | C8 | H81 | 178.7° | 180.0° |
| H71 | C7 | C8 | H82 | 71.7° | 60.0° |
| H72 | C7 | C8 | C9 | 55.9° | 60.1° |
| H72 | C7 | C8 | H81 | 69.3° | 60.0° |
| H72 | C7 | C8 | H82 | 178.9° | 179.9° |
| C9 | C8 | H81 | H82 | 118.0° | 120.0° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 119.9° |
| C8 | C9 | H91 | H92 | 114.6° | 120.0° |
| C8 | C9 | C10 | C11 | 165.1° | 180.0° |
| C8 | C9 | C10 | H101 | 69.7° | 59.9° |
| C8 | C9 | C10 | H102 | 39.8° | 60.0° |
| H81 | C8 | C9 | C10 | 54.8° | 60.0° |
| H81 | C8 | C9 | H91 | 179.9° | 180.0° |
| H81 | C8 | C9 | H92 | 70.4° | 60.0° |
| H82 | C8 | C9 | C10 | 54.7° | 60.0° |
| H82 | C8 | C9 | H91 | 70.6° | 60.0° |
| H82 | C8 | C9 | H92 | 179.9° | 179.9° |
| C10 | C9 | H91 | H92 | 114.6° | 120.0° |
| C9 | C10 | C11 | H101 | 125.2° | 120.1° |
| C9 | C10 | C11 | H102 | 125.2° | 120.0° |
| C9 | C10 | H101 | H102 | 116.8° | 119.9° |
| C9 | C10 | C11 | C12 | 179.9° | 180.0° |
| C9 | C10 | C11 | H111 | 54.6° | 60.0° |
| C9 | C10 | C11 | H112 | 54.8° | 60.0° |
| H91 | C9 | C10 | C11 | 39.8° | 60.0° |
| H91 | C9 | C10 | H101 | 165.0° | 179.9° |
| H91 | C9 | C10 | H102 | 85.5° | 60.0° |
| H92 | C9 | C10 | C11 | 69.7° | 60.1° |
| H92 | C9 | C10 | H101 | 55.5° | 60.0° |
| H92 | C9 | C10 | H102 | 165.1° | 180.0° |
| C11 | C10 | H101 | H102 | 116.8° | 120.0° |
| C10 | C11 | C12 | H111 | 125.2° | 120.0° |
| C10 | C11 | C12 | H112 | 125.2° | 120.0° |
| C10 | C11 | H111 | H112 | 116.7° | 120.0° |
| C10 | C11 | C12 | C13 | 96.5° | 180.0° |
| C10 | C11 | C12 | H121 | 28.8° | 60.0° |
| C10 | C11 | C12 | H122 | 138.3° | 60.0° |
| H101 | C10 | C11 | C12 | 54.9° | 60.0° |
| H101 | C10 | C11 | H111 | 179.8° | 180.0° |
| H101 | C10 | C11 | H112 | 70.4° | 60.0° |
| H102 | C10 | C11 | C12 | 54.6° | 60.0° |
| H102 | C10 | C11 | H111 | 70.6° | 60.0° |
| H102 | C10 | C11 | H112 | 179.9° | NaN° |
| C12 | C11 | H111 | H112 | 116.8° | 120.0° |
| C11 | C12 | C13 | H121 | 125.2° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 114.9° | 120.0° |
| C11 | C12 | C13 | C14 | 177.0° | 180.0° |
| C11 | C12 | C13 | H131 | 51.7° | 60.0° |
| C11 | C12 | C13 | H132 | 57.7° | 60.0° |
| H111 | C11 | C12 | C13 | 138.2° | 60.0° |
| H111 | C11 | C12 | H121 | 96.5° | 180.0° |
| H111 | C11 | C12 | H122 | 13.0° | 60.0° |
| H112 | C11 | C12 | C13 | 28.7° | 60.0° |
| H112 | C11 | C12 | H121 | 154.0° | 60.0° |
| H112 | C11 | C12 | H122 | 96.5° | 180.0° |
| C13 | C12 | H121 | H122 | 114.9° | 120.0° |
| C12 | C13 | C14 | H131 | 125.3° | 120.0° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 117.3° | 120.0° |
| C12 | C13 | C14 | C15 | 180.0° | 180.0° |
| C12 | C13 | C14 | H141 | 54.7° | 60.0° |
| C12 | C13 | C14 | H142 | 54.8° | 60.0° |
| H121 | C12 | C13 | C14 | 57.8° | 60.0° |
| H121 | C12 | C13 | H131 | 176.9° | 180.0° |
| H121 | C12 | C13 | H132 | 67.5° | 60.0° |
| H122 | C12 | C13 | C14 | 51.7° | 60.0° |
| H122 | C12 | C13 | H131 | 73.6° | 60.0° |
| H122 | C12 | C13 | H132 | 177.0° | 180.0° |
| C14 | C13 | H131 | H132 | 117.3° | 120.0° |
| C13 | C14 | C15 | H141 | 125.2° | 120.0° |
| C13 | C14 | C15 | H142 | 125.2° | 120.0° |
| C13 | C14 | H141 | H142 | 116.8° | 120.0° |
| C13 | C14 | C15 | C16 | 180.0° | 180.0° |
| C13 | C14 | C15 | H151 | 54.7° | 60.0° |
| C13 | C14 | C15 | H152 | 54.7° | 60.0° |
| H131 | C13 | C14 | C15 | 54.8° | 60.0° |
| H131 | C13 | C14 | H141 | 180.0° | 180.0° |
| H131 | C13 | C14 | H142 | 70.5° | 60.0° |
| H132 | C13 | C14 | C15 | 54.7° | 60.0° |
| H132 | C13 | C14 | H141 | 70.6° | 60.0° |
| H132 | C13 | C14 | H142 | 180.0° | 180.0° |
| C15 | C14 | H141 | H142 | 116.9° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H152 | 117.0° | 120.0° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | H161 | 54.8° | 60.0° |
| C14 | C15 | C16 | H162 | 54.7° | 60.0° |
| H141 | C14 | C15 | C16 | 54.7° | 60.0° |
| H141 | C14 | C15 | H151 | 180.0° | 180.0° |
| H141 | C14 | C15 | H152 | 70.5° | 60.0° |
| H142 | C14 | C15 | C16 | 54.8° | 59.9° |
| H142 | C14 | C15 | H151 | 70.5° | 60.0° |
| H142 | C14 | C15 | H152 | 179.9° | 180.0° |
| C16 | C15 | H151 | H152 | 117.1° | 120.0° |
| C15 | C16 | C17 | H161 | 125.2° | 120.0° |
| C15 | C16 | C17 | H162 | 125.2° | 120.0° |
| C15 | C16 | H161 | H162 | 116.9° | 120.0° |
| C15 | C16 | C17 | C18 | 180.0° | 179.9° |
| C15 | C16 | C17 | H171 | 54.7° | 60.0° |
| C15 | C16 | C17 | H172 | 54.7° | 60.0° |
| H151 | C15 | C16 | C17 | 54.7° | 60.0° |
| H151 | C15 | C16 | H161 | 180.0° | 180.0° |
| H151 | C15 | C16 | H162 | 70.5° | 60.0° |
| H152 | C15 | C16 | C17 | 54.7° | 60.0° |
| H152 | C15 | C16 | H161 | 70.5° | 60.0° |
| H152 | C15 | C16 | H162 | 180.0° | 180.0° |
| C17 | C16 | H161 | H162 | 117.0° | 120.0° |
| C16 | C17 | C18 | H171 | 125.3° | 120.0° |
| C16 | C17 | C18 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H172 | 116.8° | 120.0° |
| C16 | C17 | C18 | H181 | 180.0° | 180.0° |
| C16 | C17 | C18 | H182 | 54.7° | 60.1° |
| C16 | C17 | C18 | H183 | 54.7° | 60.0° |
| H161 | C16 | C17 | C18 | 54.8° | 59.9° |
| H161 | C16 | C17 | H171 | 179.9° | 180.0° |
| H161 | C16 | C17 | H172 | 70.6° | 60.0° |
| H162 | C16 | C17 | C18 | 54.8° | 60.1° |
| H162 | C16 | C17 | H171 | 70.6° | 60.0° |
| H162 | C16 | C17 | H172 | 179.9° | 180.0° |
| C18 | C17 | H171 | H172 | 116.9° | 120.0° |
| C17 | C18 | H181 | H182 | 125.2° | 119.9° |
| C17 | C18 | H181 | H183 | 125.3° | 120.0° |
| C17 | C18 | H182 | H183 | 116.9° | 120.0° |
| H171 | C17 | C18 | H181 | 54.7° | 60.0° |
| H171 | C17 | C18 | H182 | 180.0° | 59.9° |
| H171 | C17 | C18 | H183 | 70.6° | 180.0° |
| H172 | C17 | C18 | H181 | 54.7° | 60.0° |
| H172 | C17 | C18 | H182 | 70.6° | 179.9° |
| H172 | C17 | C18 | H183 | 180.0° | 60.0° |
| H181 | C18 | H182 | H183 | 117.0° | 120.0° |
| O19 | C19 | C20 | C21 | 29.6° | 0.0° |
| O19 | C19 | C20 | H201 | 154.9° | 120.0° |
| O19 | C19 | C20 | H202 | 95.6° | 120.0° |
| C19 | C20 | C21 | H201 | 125.3° | 120.0° |
| C19 | C20 | C21 | H202 | 125.3° | 120.1° |
| C19 | C20 | H201 | H202 | 112.2° | 120.0° |
| C19 | C20 | C21 | C22 | 122.9° | 180.0° |
| C19 | C20 | C21 | H211 | 2.4° | 60.0° |
| C19 | C20 | C21 | H212 | 111.9° | 60.0° |
| C21 | C20 | H201 | H202 | 112.1° | 119.9° |
| C20 | C21 | C22 | H211 | 125.3° | 120.0° |
| C20 | C21 | C22 | H212 | 125.2° | 120.1° |
| C20 | C21 | H211 | H212 | 116.6° | 120.0° |
| C20 | C21 | C22 | C23 | 132.3° | 180.0° |
| C20 | C21 | C22 | H221 | 102.5° | 60.0° |
| C20 | C21 | C22 | H222 | 7.0° | 60.0° |
| H201 | C20 | C21 | C22 | 111.9° | 60.0° |
| H201 | C20 | C21 | H211 | 122.9° | 180.0° |
| H201 | C20 | C21 | H212 | 13.3° | 60.1° |
| H202 | C20 | C21 | C22 | 2.4° | 59.9° |
| H202 | C20 | C21 | H211 | 127.7° | 60.1° |
| H202 | C20 | C21 | H212 | 122.8° | 180.0° |
| C22 | C21 | H211 | H212 | 116.4° | 119.9° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.1° |
| C21 | C22 | H221 | H222 | 117.4° | 120.0° |
| C21 | C22 | C23 | C24 | 147.0° | NaN° |
| C21 | C22 | C23 | H231 | 21.7° | 60.0° |
| C21 | C22 | C23 | H232 | 87.7° | 60.0° |
| H211 | C21 | C22 | C23 | 7.0° | 60.0° |
| H211 | C21 | C22 | H221 | 132.3° | 180.0° |
| H211 | C21 | C22 | H222 | 118.2° | 60.1° |
| H212 | C21 | C22 | C23 | 102.4° | 59.9° |
| H212 | C21 | C22 | H221 | 22.8° | 60.1° |
| H212 | C21 | C22 | H222 | 132.3° | 180.0° |
| C23 | C22 | H221 | H222 | 117.3° | 119.9° |
| C22 | C23 | C24 | H231 | 125.3° | 120.1° |
| C22 | C23 | C24 | H232 | 125.2° | 120.1° |
| C22 | C23 | H231 | H232 | 117.3° | 120.0° |
| C22 | C23 | C24 | C25 | 179.9° | 180.0° |
| C22 | C23 | C24 | H241 | 54.7° | 60.0° |
| C22 | C23 | C24 | H242 | 54.8° | 60.0° |
| H221 | C22 | C23 | C24 | 87.7° | 60.0° |
| H221 | C22 | C23 | H231 | 147.0° | 180.0° |
| H221 | C22 | C23 | H232 | 37.5° | 60.1° |
| H222 | C22 | C23 | C24 | 21.7° | 59.9° |
| H222 | C22 | C23 | H231 | 103.6° | 60.1° |
| H222 | C22 | C23 | H232 | 147.0° | 180.0° |
| C24 | C23 | H231 | H232 | 117.3° | 119.9° |
| C23 | C24 | C25 | H241 | 125.2° | 120.0° |
| C23 | C24 | C25 | H242 | 125.3° | 120.1° |
| C23 | C24 | H241 | H242 | 116.5° | 120.0° |
| C23 | C24 | C25 | C26 | 161.3° | 180.0° |
| C23 | C24 | C25 | H251 | 36.0° | 59.9° |
| C23 | C24 | C25 | H252 | 73.5° | 60.0° |
| H231 | C23 | C24 | C25 | 54.8° | 59.9° |
| H231 | C23 | C24 | H241 | 180.0° | 180.0° |
| H231 | C23 | C24 | H242 | 70.5° | 60.1° |
| H232 | C23 | C24 | C25 | 54.7° | 60.0° |
| H232 | C23 | C24 | H241 | 70.5° | 60.1° |
| H232 | C23 | C24 | H242 | 180.0° | 180.0° |
| C25 | C24 | H241 | H242 | 116.4° | 119.9° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.2° | 120.0° |
| C24 | C25 | H251 | H252 | 116.9° | 119.9° |
| C24 | C25 | C26 | H261 | 180.0° | 180.0° |
| C24 | C25 | C26 | H262 | 54.7° | 60.0° |
| C24 | C25 | C26 | H263 | 54.7° | 59.9° |
| H241 | C24 | C25 | C26 | 73.5° | 60.0° |
| H241 | C24 | C25 | H251 | 161.2° | 180.0° |
| H241 | C24 | C25 | H252 | 51.8° | 60.1° |
| H242 | C24 | C25 | C26 | 36.0° | 59.9° |
| H242 | C24 | C25 | H251 | 89.3° | 60.1° |
| H242 | C24 | C25 | H252 | 161.2° | 180.0° |
| C26 | C25 | H251 | H252 | 116.9° | 120.0° |
| C25 | C26 | H261 | H262 | 125.2° | 120.0° |
| C25 | C26 | H261 | H263 | 125.3° | 120.0° |
| C25 | C26 | H262 | H263 | 116.8° | 119.9° |
| H251 | C25 | C26 | H261 | 54.8° | 60.0° |
| H251 | C25 | C26 | H262 | 180.0° | 60.1° |
| H251 | C25 | C26 | H263 | 70.6° | 180.0° |
| H252 | C25 | C26 | H261 | 54.7° | 60.0° |
| H252 | C25 | C26 | H262 | 70.5° | 179.9° |
| H252 | C25 | C26 | H263 | 179.9° | 60.0° |
| H261 | C26 | H262 | H263 | 117.0° | 120.0° |
