12P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | C36 | sing | 1.43Å | 1.40Å | |
| O37 | H37 | sing | 0.97Å | 0.95Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C35 | O34 | sing | 1.43Å | 1.42Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| O34 | C33 | sing | 1.43Å | 1.44Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C32 | O31 | sing | 1.43Å | 1.43Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| O31 | C30 | sing | 1.43Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C29 | O28 | sing | 1.43Å | 1.44Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| O28 | C27 | sing | 1.43Å | 1.43Å | |
| C27 | C26 | sing | 1.53Å | 1.51Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C26 | O25 | sing | 1.43Å | 1.43Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| O25 | C24 | sing | 1.43Å | 1.41Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C23 | O22 | sing | 1.43Å | 1.42Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| O22 | C21 | sing | 1.43Å | 1.45Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C20 | O19 | sing | 1.43Å | 1.43Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| O19 | C18 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C17 | O16 | sing | 1.43Å | 1.43Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.11Å | |
| O16 | C15 | sing | 1.43Å | 1.45Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C14 | O13 | sing | 1.43Å | 1.44Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| O13 | C12 | sing | 1.43Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C11 | O10 | sing | 1.43Å | 1.41Å | |
| C11 | H111 | sing | 1.09Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| O10 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C8 | O7 | sing | 1.43Å | 1.44Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| O7 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C5 | O4 | sing | 1.43Å | 1.43Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| O4 | C3 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C2 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | O37 | H37 | 104.6° | 106.8° |
| O37 | C36 | C35 | 104.6° | 109.5° |
| O37 | C36 | H361 | 114.0° | 109.4° |
| O37 | C36 | H362 | 114.1° | 109.5° |
| C35 | C36 | H361 | 114.1° | 109.5° |
| C35 | C36 | H362 | 114.0° | 109.5° |
| C36 | C35 | O34 | 111.4° | 109.5° |
| C36 | C35 | H351 | 111.5° | 109.4° |
| C36 | C35 | H352 | 111.5° | 109.4° |
| H361 | C36 | H362 | 96.4° | 109.5° |
| O34 | C35 | H351 | 111.5° | 109.6° |
| O34 | C35 | H352 | 111.5° | 109.5° |
| C35 | O34 | C33 | 113.0° | 106.8° |
| H351 | C35 | H352 | 98.9° | 109.4° |
| O34 | C33 | C32 | 112.2° | 109.5° |
| O34 | C33 | H331 | 111.2° | 109.5° |
| O34 | C33 | H332 | 111.2° | 109.4° |
| C32 | C33 | H331 | 111.2° | 109.5° |
| C32 | C33 | H332 | 111.2° | 109.5° |
| C33 | C32 | O31 | 109.2° | 109.4° |
| C33 | C32 | H321 | 112.3° | 109.5° |
| C33 | C32 | H322 | 112.3° | 109.5° |
| H331 | C33 | H332 | 99.1° | 109.5° |
| O31 | C32 | H321 | 112.3° | 109.6° |
| O31 | C32 | H322 | 112.3° | 109.5° |
| C32 | O31 | C30 | 112.4° | 106.8° |
| H321 | C32 | H322 | 98.1° | 109.5° |
| O31 | C30 | C29 | 109.4° | 109.5° |
| O31 | C30 | H301 | 112.3° | 109.4° |
| O31 | C30 | H302 | 112.2° | 109.5° |
| C29 | C30 | H301 | 112.2° | 109.5° |
| C29 | C30 | H302 | 112.3° | 109.5° |
| C30 | C29 | O28 | 111.2° | 109.5° |
| C30 | C29 | H291 | 111.6° | 109.5° |
| C30 | C29 | H292 | 111.6° | 109.5° |
| H301 | C30 | H302 | 98.2° | 109.5° |
| O28 | C29 | H291 | 111.6° | 109.5° |
| O28 | C29 | H292 | 111.6° | 109.4° |
| C29 | O28 | C27 | 110.3° | 106.8° |
| H291 | C29 | H292 | 98.8° | 109.4° |
| O28 | C27 | C26 | 108.1° | 109.5° |
| O28 | C27 | H271 | 112.7° | 109.5° |
| O28 | C27 | H272 | 112.8° | 109.4° |
| C26 | C27 | H271 | 112.7° | 109.5° |
| C26 | C27 | H272 | 112.7° | 109.5° |
| C27 | C26 | O25 | 109.9° | 109.5° |
| C27 | C26 | H261 | 112.0° | 109.4° |
| C27 | C26 | H262 | 112.0° | 109.4° |
| H271 | C27 | H272 | 97.7° | 109.5° |
| O25 | C26 | H261 | 112.1° | 109.5° |
| O25 | C26 | H262 | 112.0° | 109.4° |
| C26 | O25 | C24 | 116.2° | 106.8° |
| H261 | C26 | H262 | 98.4° | 109.5° |
| O25 | C24 | C23 | 112.0° | 109.4° |
| O25 | C24 | H241 | 111.3° | 109.4° |
| O25 | C24 | H242 | 111.3° | 109.4° |
| C23 | C24 | H241 | 111.3° | 109.5° |
| C23 | C24 | H242 | 111.3° | 109.5° |
| C24 | C23 | O22 | 104.6° | 109.5° |
| C24 | C23 | H231 | 114.0° | 109.4° |
| C24 | C23 | H232 | 114.0° | 109.4° |
| H241 | C24 | H242 | 99.1° | 109.5° |
| O22 | C23 | H231 | 114.1° | 109.6° |
| O22 | C23 | H232 | 114.0° | 109.4° |
| C23 | O22 | C21 | 115.6° | 106.8° |
| H231 | C23 | H232 | 96.4° | 109.5° |
| O22 | C21 | C20 | 111.6° | 109.5° |
| O22 | C21 | H211 | 111.4° | 109.5° |
| O22 | C21 | H212 | 111.5° | 109.4° |
| C20 | C21 | H211 | 111.4° | 109.5° |
| C20 | C21 | H212 | 111.4° | 109.5° |
| C21 | C20 | O19 | 116.4° | 109.4° |
| C21 | C20 | H201 | 109.7° | 109.4° |
| C21 | C20 | H202 | 109.7° | 109.5° |
| H211 | C21 | H212 | 99.0° | 109.5° |
| O19 | C20 | H201 | 109.7° | 109.5° |
| O19 | C20 | H202 | 109.7° | 109.5° |
| C20 | O19 | C18 | 111.0° | 106.8° |
| H201 | C20 | H202 | 100.5° | 109.5° |
| O19 | C18 | C17 | 112.6° | 109.5° |
| O19 | C18 | H181 | 111.1° | 109.5° |
| O19 | C18 | H182 | 111.1° | 109.5° |
| C17 | C18 | H181 | 111.1° | 109.5° |
| C17 | C18 | H182 | 111.1° | 109.4° |
| C18 | C17 | O16 | 111.1° | 109.5° |
| C18 | C17 | H171 | 111.6° | 109.4° |
| C18 | C17 | H172 | 111.6° | 109.5° |
| H181 | C18 | H182 | 99.2° | 109.4° |
| O16 | C17 | H171 | 111.6° | 109.5° |
| O16 | C17 | H172 | 111.6° | 109.5° |
| C17 | O16 | C15 | 116.5° | 106.8° |
| H171 | C17 | H172 | 98.8° | 109.5° |
| O16 | C15 | C14 | 114.5° | 109.5° |
| O16 | C15 | H151 | 110.4° | 109.5° |
| O16 | C15 | H152 | 110.4° | 109.5° |
| C14 | C15 | H151 | 110.4° | 109.4° |
| C14 | C15 | H152 | 110.3° | 109.5° |
| C15 | C14 | O13 | 107.2° | 109.5° |
| C15 | C14 | H141 | 113.1° | 109.5° |
| C15 | C14 | H142 | 113.1° | 109.5° |
| H151 | C15 | H152 | 99.9° | 109.5° |
| O13 | C14 | H141 | 113.1° | 109.5° |
| O13 | C14 | H142 | 113.1° | 109.4° |
| C14 | O13 | C12 | 114.4° | 106.8° |
| H141 | C14 | H142 | 97.4° | 109.5° |
| O13 | C12 | C11 | 111.1° | 109.5° |
| O13 | C12 | H121 | 111.6° | 109.5° |
| O13 | C12 | H122 | 111.6° | 109.5° |
| C11 | C12 | H121 | 111.6° | 109.5° |
| C11 | C12 | H122 | 111.6° | 109.4° |
| C12 | C11 | O10 | 112.3° | 109.5° |
| C12 | C11 | H111 | 111.2° | 109.4° |
| C12 | C11 | H112 | 111.2° | 109.5° |
| H121 | C12 | H122 | 98.8° | 109.5° |
| O10 | C11 | H111 | 111.2° | 109.5° |
| O10 | C11 | H112 | 111.2° | 109.5° |
| C11 | O10 | C9 | 108.2° | 106.8° |
| H111 | C11 | H112 | 99.2° | 109.4° |
| O10 | C9 | C8 | 112.8° | 109.4° |
| O10 | C9 | H91 | 111.0° | 109.5° |
| O10 | C9 | H92 | 111.0° | 109.5° |
| C8 | C9 | H91 | 111.0° | 109.5° |
| C8 | C9 | H92 | 111.0° | 109.5° |
| C9 | C8 | O7 | 113.1° | 109.5° |
| C9 | C8 | H81 | 110.9° | 109.5° |
| C9 | C8 | H82 | 110.9° | 109.5° |
| H91 | C9 | H92 | 99.3° | 109.5° |
| O7 | C8 | H81 | 110.9° | 109.5° |
| O7 | C8 | H82 | 110.9° | 109.4° |
| C8 | O7 | C6 | 116.7° | 106.8° |
| H81 | C8 | H82 | 99.4° | 109.5° |
| O7 | C6 | C5 | 111.2° | 109.4° |
| O7 | C6 | H61 | 111.6° | 109.5° |
| O7 | C6 | H62 | 111.6° | 109.5° |
| C5 | C6 | H61 | 111.6° | 109.5° |
| C5 | C6 | H62 | 111.6° | 109.5° |
| C6 | C5 | O4 | 110.2° | 109.5° |
| C6 | C5 | H51 | 111.9° | 109.5° |
| C6 | C5 | H52 | 111.9° | 109.5° |
| H61 | C6 | H62 | 98.8° | 109.4° |
| O4 | C5 | H51 | 112.0° | 109.5° |
| O4 | C5 | H52 | 112.0° | 109.4° |
| C5 | O4 | C3 | 115.9° | 106.8° |
| H51 | C5 | H52 | 98.5° | 109.5° |
| O4 | C3 | C2 | 109.1° | 109.5° |
| O4 | C3 | H31 | 112.4° | 109.5° |
| O4 | C3 | H32 | 112.4° | 109.5° |
| C2 | C3 | H31 | 112.4° | 109.5° |
| C2 | C3 | H32 | 112.4° | 109.4° |
| C3 | C2 | O1 | 113.4° | 109.5° |
| C3 | C2 | H21 | 110.8° | 109.5° |
| C3 | C2 | H22 | 110.8° | 109.5° |
| H31 | C3 | H32 | 98.0° | 109.4° |
| O1 | C2 | H21 | 110.7° | 109.5° |
| O1 | C2 | H22 | 110.7° | 109.5° |
| C2 | O1 | HO1 | 113.5° | 106.8° |
| H21 | C2 | H22 | 99.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C36 | C35 | H361 | 125.2° | 120.0° |
| O37 | C36 | C35 | H362 | 125.3° | 120.0° |
| O37 | C36 | H361 | H362 | 120.0° | 120.0° |
| O37 | C36 | C35 | O34 | 81.3° | 60.0° |
| O37 | C36 | C35 | H351 | 153.4° | 60.0° |
| O37 | C36 | C35 | H352 | 44.0° | 180.0° |
| H37 | O37 | C36 | C35 | 180.0° | 180.0° |
| H37 | O37 | C36 | H361 | 54.7° | 60.0° |
| H37 | O37 | C36 | H362 | 54.7° | 60.0° |
| C35 | C36 | H361 | H362 | 120.0° | 120.0° |
| C36 | C35 | O34 | H351 | 125.3° | 120.0° |
| C36 | C35 | O34 | H352 | 125.3° | 120.0° |
| C36 | C35 | H351 | H352 | 117.4° | 119.9° |
| C36 | C35 | O34 | C33 | 173.3° | 180.0° |
| H361 | C36 | C35 | O34 | 43.9° | 180.0° |
| H361 | C36 | C35 | H351 | 81.3° | 60.0° |
| H361 | C36 | C35 | H352 | 169.2° | 59.9° |
| H362 | C36 | C35 | O34 | 153.4° | 60.0° |
| H362 | C36 | C35 | H351 | 28.2° | 180.0° |
| H362 | C36 | C35 | H352 | 81.3° | 60.1° |
| O34 | C35 | H351 | H352 | 117.4° | 120.1° |
| C35 | O34 | C33 | C32 | 90.6° | 179.9° |
| C35 | O34 | C33 | H331 | 34.7° | 60.0° |
| C35 | O34 | C33 | H332 | 144.1° | 60.0° |
| H351 | C35 | O34 | C33 | 48.1° | 60.0° |
| H352 | C35 | O34 | C33 | 61.4° | 60.0° |
| O34 | C33 | C32 | H331 | 125.3° | 120.0° |
| O34 | C33 | C32 | H332 | 125.3° | 120.0° |
| O34 | C33 | H331 | H332 | 117.1° | 120.0° |
| O34 | C33 | C32 | O31 | 139.5° | 60.1° |
| O34 | C33 | C32 | H321 | 14.2° | 60.0° |
| O34 | C33 | C32 | H322 | 95.2° | 180.0° |
| C32 | C33 | H331 | H332 | 117.1° | 120.1° |
| C33 | C32 | O31 | H321 | 125.3° | 120.0° |
| C33 | C32 | O31 | H322 | 125.2° | 120.0° |
| C33 | C32 | H321 | H322 | 118.2° | 120.0° |
| C33 | C32 | O31 | C30 | 131.9° | 180.0° |
| H331 | C33 | C32 | O31 | 95.2° | 179.9° |
| H331 | C33 | C32 | H321 | 139.5° | 60.0° |
| H331 | C33 | C32 | H322 | 30.0° | 60.0° |
| H332 | C33 | C32 | O31 | 14.2° | 59.9° |
| H332 | C33 | C32 | H321 | 111.0° | 180.0° |
| H332 | C33 | C32 | H322 | 139.5° | 60.0° |
| O31 | C32 | H321 | H322 | 118.3° | 120.0° |
| C32 | O31 | C30 | C29 | 146.8° | 179.9° |
| C32 | O31 | C30 | H301 | 21.6° | 60.0° |
| C32 | O31 | C30 | H302 | 87.9° | 60.0° |
| H321 | C32 | O31 | C30 | 102.8° | 60.0° |
| H322 | C32 | O31 | C30 | 6.7° | 60.0° |
| O31 | C30 | C29 | H301 | 125.3° | 119.9° |
| O31 | C30 | C29 | H302 | 125.3° | 120.0° |
| O31 | C30 | H301 | H302 | 118.1° | 120.0° |
| O31 | C30 | C29 | O28 | 123.2° | 60.1° |
| O31 | C30 | C29 | H291 | 2.1° | 60.0° |
| O31 | C30 | C29 | H292 | 111.5° | 180.0° |
| C29 | C30 | H301 | H302 | 118.2° | 120.0° |
| C30 | C29 | O28 | H291 | 125.3° | 120.1° |
| C30 | C29 | O28 | H292 | 125.3° | 120.0° |
| C30 | C29 | H291 | H292 | 117.5° | 120.0° |
| C30 | C29 | O28 | C27 | 177.4° | 180.0° |
| H301 | C30 | C29 | O28 | 111.5° | 180.0° |
| H301 | C30 | C29 | H291 | 123.2° | 59.9° |
| H301 | C30 | C29 | H292 | 13.8° | 60.1° |
| H302 | C30 | C29 | O28 | 2.1° | 60.0° |
| H302 | C30 | C29 | H291 | 127.4° | 180.0° |
| H302 | C30 | C29 | H292 | 123.2° | 60.0° |
| O28 | C29 | H291 | H292 | 117.5° | 120.0° |
| C29 | O28 | C27 | C26 | 123.8° | 180.0° |
| C29 | O28 | C27 | H271 | 111.0° | 60.0° |
| C29 | O28 | C27 | H272 | 1.5° | 60.0° |
| H291 | C29 | O28 | C27 | 52.1° | 59.9° |
| H292 | C29 | O28 | C27 | 57.3° | 60.0° |
| O28 | C27 | C26 | H271 | 125.2° | 120.0° |
| O28 | C27 | C26 | H272 | 125.3° | 119.9° |
| O28 | C27 | H271 | H272 | 118.7° | 120.0° |
| O28 | C27 | C26 | O25 | 155.0° | 60.0° |
| O28 | C27 | C26 | H261 | 79.7° | 60.0° |
| O28 | C27 | C26 | H262 | 29.8° | 180.0° |
| C26 | C27 | H271 | H272 | 118.6° | 120.0° |
| C27 | C26 | O25 | H261 | 125.3° | 120.0° |
| C27 | C26 | O25 | H262 | 125.2° | 120.0° |
| C27 | C26 | H261 | H262 | 117.9° | 120.0° |
| C27 | C26 | O25 | C24 | 164.8° | 180.0° |
| H271 | C27 | C26 | O25 | 29.8° | 180.0° |
| H271 | C27 | C26 | H261 | 155.1° | 60.0° |
| H271 | C27 | C26 | H262 | 95.5° | 60.0° |
| H272 | C27 | C26 | O25 | 79.7° | 59.9° |
| H272 | C27 | C26 | H261 | 45.6° | 180.0° |
| H272 | C27 | C26 | H262 | 155.1° | 60.0° |
| O25 | C26 | H261 | H262 | 118.0° | 120.0° |
| C26 | O25 | C24 | C23 | 139.3° | 180.0° |
| C26 | O25 | C24 | H241 | 95.4° | 60.0° |
| C26 | O25 | C24 | H242 | 14.1° | 60.0° |
| H261 | C26 | O25 | C24 | 39.6° | 60.0° |
| H262 | C26 | O25 | C24 | 69.9° | 60.0° |
| O25 | C24 | C23 | H241 | 125.3° | 119.9° |
| O25 | C24 | C23 | H242 | 125.3° | 120.0° |
| O25 | C24 | H241 | H242 | 117.2° | 120.0° |
| O25 | C24 | C23 | O22 | 129.2° | 60.0° |
| O25 | C24 | C23 | H231 | 105.5° | 60.1° |
| O25 | C24 | C23 | H232 | 4.0° | 180.0° |
| C23 | C24 | H241 | H242 | 117.2° | 120.1° |
| C24 | C23 | O22 | H231 | 125.3° | 120.0° |
| C24 | C23 | O22 | H232 | 125.2° | 119.9° |
| C24 | C23 | H231 | H232 | 119.9° | 119.9° |
| C24 | C23 | O22 | C21 | 151.2° | 180.0° |
| H241 | C24 | C23 | O22 | 4.0° | 180.0° |
| H241 | C24 | C23 | H231 | 129.3° | 59.9° |
| H241 | C24 | C23 | H232 | 121.3° | 60.1° |
| H242 | C24 | C23 | O22 | 105.5° | 59.9° |
| H242 | C24 | C23 | H231 | 19.8° | 180.0° |
| H242 | C24 | C23 | H232 | 129.2° | 60.0° |
| O22 | C23 | H231 | H232 | 120.0° | 120.0° |
| C23 | O22 | C21 | C20 | 100.8° | 180.0° |
| C23 | O22 | C21 | H211 | 24.4° | 59.9° |
| C23 | O22 | C21 | H212 | 133.9° | 60.0° |
| H231 | C23 | O22 | C21 | 83.6° | 60.0° |
| H232 | C23 | O22 | C21 | 25.9° | 60.1° |
| O22 | C21 | C20 | H211 | 125.3° | 120.1° |
| O22 | C21 | C20 | H212 | 125.3° | 119.9° |
| O22 | C21 | H211 | H212 | 117.4° | 119.9° |
| O22 | C21 | C20 | O19 | 102.3° | 59.9° |
| O22 | C21 | C20 | H201 | 23.0° | 60.1° |
| O22 | C21 | C20 | H202 | 132.4° | 180.0° |
| C20 | C21 | H211 | H212 | 117.3° | 120.0° |
| C21 | C20 | O19 | H201 | 125.3° | 119.9° |
| C21 | C20 | O19 | H202 | 125.2° | 120.0° |
| C21 | C20 | H201 | H202 | 115.4° | 120.0° |
| C21 | C20 | O19 | C18 | 168.8° | 180.0° |
| H211 | C21 | C20 | O19 | 132.4° | 180.0° |
| H211 | C21 | C20 | H201 | 102.3° | 60.0° |
| H211 | C21 | C20 | H202 | 7.2° | 60.0° |
| H212 | C21 | C20 | O19 | 23.0° | 60.0° |
| H212 | C21 | C20 | H201 | 148.2° | 180.0° |
| H212 | C21 | C20 | H202 | 102.3° | 60.0° |
| O19 | C20 | H201 | H202 | 115.5° | 120.1° |
| C20 | O19 | C18 | C17 | 136.8° | 180.0° |
| C20 | O19 | C18 | H181 | 98.0° | 60.0° |
| C20 | O19 | C18 | H182 | 11.5° | 60.0° |
| H201 | C20 | O19 | C18 | 66.0° | 60.0° |
| H202 | C20 | O19 | C18 | 43.6° | 60.0° |
| O19 | C18 | C17 | H181 | 125.3° | 120.1° |
| O19 | C18 | C17 | H182 | 125.3° | 120.0° |
| O19 | C18 | H181 | H182 | 117.0° | 120.0° |
| O19 | C18 | C17 | O16 | 130.5° | 60.0° |
| O19 | C18 | C17 | H171 | 104.3° | 60.0° |
| O19 | C18 | C17 | H172 | 5.2° | 180.0° |
| C17 | C18 | H181 | H182 | 116.9° | 119.9° |
| C18 | C17 | O16 | H171 | 125.3° | 120.0° |
| C18 | C17 | O16 | H172 | 125.2° | 120.0° |
| C18 | C17 | H171 | H172 | 117.5° | 120.0° |
| C18 | C17 | O16 | C15 | 141.9° | 179.9° |
| H181 | C18 | C17 | O16 | 5.2° | 179.9° |
| H181 | C18 | C17 | H171 | 130.5° | 60.1° |
| H181 | C18 | C17 | H172 | 120.1° | 59.9° |
| H182 | C18 | C17 | O16 | 104.2° | 60.0° |
| H182 | C18 | C17 | H171 | 21.0° | 180.0° |
| H182 | C18 | C17 | H172 | 130.5° | 60.0° |
| O16 | C17 | H171 | H172 | 117.5° | 120.0° |
| C17 | O16 | C15 | C14 | 141.3° | 180.0° |
| C17 | O16 | C15 | H151 | 93.4° | 60.0° |
| C17 | O16 | C15 | H152 | 16.1° | 60.0° |
| H171 | C17 | O16 | C15 | 16.6° | 60.0° |
| H172 | C17 | O16 | C15 | 92.9° | 60.1° |
| O16 | C15 | C14 | H151 | 125.3° | 120.0° |
| O16 | C15 | C14 | H152 | 125.2° | 120.0° |
| O16 | C15 | H151 | H152 | 116.2° | 120.0° |
| O16 | C15 | C14 | O13 | 156.7° | 60.0° |
| O16 | C15 | C14 | H141 | 78.1° | 60.0° |
| O16 | C15 | C14 | H142 | 31.4° | 179.9° |
| C14 | C15 | H151 | H152 | 116.2° | 120.0° |
| C15 | C14 | O13 | H141 | 125.3° | 120.0° |
| C15 | C14 | O13 | H142 | 125.3° | 120.0° |
| C15 | C14 | H141 | H142 | 119.0° | 120.0° |
| C15 | C14 | O13 | C12 | 170.9° | 180.0° |
| H151 | C15 | C14 | O13 | 31.4° | 180.0° |
| H151 | C15 | C14 | H141 | 156.7° | 60.0° |
| H151 | C15 | C14 | H142 | 93.9° | 60.0° |
| H152 | C15 | C14 | O13 | 78.1° | 60.0° |
| H152 | C15 | C14 | H141 | 47.2° | 180.0° |
| H152 | C15 | C14 | H142 | 156.6° | 59.9° |
| O13 | C14 | H141 | H142 | 119.0° | 120.0° |
| C14 | O13 | C12 | C11 | 159.8° | 180.0° |
| C14 | O13 | C12 | H121 | 34.6° | 60.0° |
| C14 | O13 | C12 | H122 | 74.9° | 60.0° |
| H141 | C14 | O13 | C12 | 45.7° | 60.0° |
| H142 | C14 | O13 | C12 | 63.8° | 60.0° |
| O13 | C12 | C11 | H121 | 125.3° | 120.0° |
| O13 | C12 | C11 | H122 | 125.3° | 120.0° |
| O13 | C12 | H121 | H122 | 117.5° | 120.0° |
| O13 | C12 | C11 | O10 | 157.3° | 60.0° |
| O13 | C12 | C11 | H111 | 32.0° | 60.0° |
| O13 | C12 | C11 | H112 | 77.4° | 180.0° |
| C11 | C12 | H121 | H122 | 117.5° | 120.0° |
| C12 | C11 | O10 | H111 | 125.3° | 120.0° |
| C12 | C11 | O10 | H112 | 125.2° | 120.0° |
| C12 | C11 | H111 | H112 | 117.1° | 120.0° |
| C12 | C11 | O10 | C9 | 167.2° | 180.0° |
| H121 | C12 | C11 | O10 | 77.4° | 180.0° |
| H121 | C12 | C11 | H111 | 157.3° | 60.0° |
| H121 | C12 | C11 | H112 | 47.8° | 60.0° |
| H122 | C12 | C11 | O10 | 32.0° | 60.0° |
| H122 | C12 | C11 | H111 | 93.2° | 180.0° |
| H122 | C12 | C11 | H112 | 157.3° | 60.1° |
| O10 | C11 | H111 | H112 | 117.1° | 120.0° |
| C11 | O10 | C9 | C8 | 171.6° | 180.0° |
| C11 | O10 | C9 | H91 | 46.3° | 60.0° |
| C11 | O10 | C9 | H92 | 63.1° | 60.0° |
| H111 | C11 | O10 | C9 | 42.0° | 60.0° |
| H112 | C11 | O10 | C9 | 67.5° | 59.9° |
| O10 | C9 | C8 | H91 | 125.3° | 119.9° |
| O10 | C9 | C8 | H92 | 125.3° | 120.0° |
| O10 | C9 | H91 | H92 | 116.8° | 120.0° |
| O10 | C9 | C8 | O7 | 158.7° | 60.1° |
| O10 | C9 | C8 | H81 | 76.0° | 60.0° |
| O10 | C9 | C8 | H82 | 33.5° | 180.0° |
| C8 | C9 | H91 | H92 | 116.8° | 120.1° |
| C9 | C8 | O7 | H81 | 125.3° | 120.1° |
| C9 | C8 | O7 | H82 | 125.2° | 120.0° |
| C9 | C8 | H81 | H82 | 116.7° | 120.0° |
| C9 | C8 | O7 | C6 | 95.1° | 180.0° |
| H91 | C9 | C8 | O7 | 33.4° | 180.0° |
| H91 | C9 | C8 | H81 | 158.7° | 60.0° |
| H91 | C9 | C8 | H82 | 91.8° | 60.1° |
| H92 | C9 | C8 | O7 | 76.0° | 59.9° |
| H92 | C9 | C8 | H81 | 49.3° | NaN° |
| H92 | C9 | C8 | H82 | 158.7° | 60.0° |
| O7 | C8 | H81 | H82 | 116.8° | 119.9° |
| C8 | O7 | C6 | C5 | 104.6° | 180.0° |
| C8 | O7 | C6 | H61 | 130.1° | 60.0° |
| C8 | O7 | C6 | H62 | 20.6° | 60.0° |
| H81 | C8 | O7 | C6 | 139.6° | 60.0° |
| H82 | C8 | O7 | C6 | 30.1° | 60.0° |
| O7 | C6 | C5 | H61 | 125.3° | 120.0° |
| O7 | C6 | C5 | H62 | 125.3° | 120.0° |
| O7 | C6 | H61 | H62 | 117.5° | 120.0° |
| O7 | C6 | C5 | O4 | 117.2° | 60.1° |
| O7 | C6 | C5 | H51 | 117.5° | 60.0° |
| O7 | C6 | C5 | H52 | 8.0° | 180.0° |
| C5 | C6 | H61 | H62 | 117.5° | 120.0° |
| C6 | C5 | O4 | H51 | 125.2° | 120.0° |
| C6 | C5 | O4 | H52 | 125.2° | 120.0° |
| C6 | C5 | H51 | H52 | 117.8° | 120.0° |
| C6 | C5 | O4 | C3 | 144.2° | 180.0° |
| H61 | C6 | C5 | O4 | 8.0° | 180.0° |
| H61 | C6 | C5 | H51 | 117.3° | 60.0° |
| H61 | C6 | C5 | H52 | 133.3° | 60.0° |
| H62 | C6 | C5 | O4 | 117.5° | 60.0° |
| H62 | C6 | C5 | H51 | 7.8° | 180.0° |
| H62 | C6 | C5 | H52 | 117.3° | 60.0° |
| O4 | C5 | H51 | H52 | 117.9° | 120.0° |
| C5 | O4 | C3 | C2 | 132.4° | 180.0° |
| C5 | O4 | C3 | H31 | 102.3° | 60.0° |
| C5 | O4 | C3 | H32 | 7.1° | 60.0° |
| H51 | C5 | O4 | C3 | 90.6° | 60.0° |
| H52 | C5 | O4 | C3 | 18.9° | 60.0° |
| O4 | C3 | C2 | H31 | 125.3° | 120.0° |
| O4 | C3 | C2 | H32 | 125.3° | 120.1° |
| O4 | C3 | H31 | H32 | 118.3° | 120.1° |
| O4 | C3 | C2 | O1 | 151.2° | 60.0° |
| O4 | C3 | C2 | H21 | 83.5° | 60.0° |
| O4 | C3 | C2 | H22 | 25.9° | 180.0° |
| C2 | C3 | H31 | H32 | 118.3° | 119.9° |
| C3 | C2 | O1 | H21 | 125.3° | 120.0° |
| C3 | C2 | O1 | H22 | 125.3° | 120.0° |
| C3 | C2 | H21 | H22 | 116.6° | 120.0° |
| C3 | C2 | O1 | HO1 | 180.0° | 180.0° |
| H31 | C3 | C2 | O1 | 25.9° | 180.0° |
| H31 | C3 | C2 | H21 | 151.2° | 60.0° |
| H31 | C3 | C2 | H22 | 99.4° | 60.0° |
| H32 | C3 | C2 | O1 | 83.5° | 60.0° |
| H32 | C3 | C2 | H21 | 41.8° | 179.9° |
| H32 | C3 | C2 | H22 | 151.2° | 60.0° |
| O1 | C2 | H21 | H22 | 116.6° | 120.0° |
| H21 | C2 | O1 | HO1 | 54.7° | 60.0° |
| H22 | C2 | O1 | HO1 | 54.7° | 60.0° |
