T80
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.33Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C1 | H13 | sing | 1.09Å | 1.12Å | |
| O2 | C3 | sing | 1.43Å | 1.36Å | |
| C3 | C4 | sing | 1.53Å | 1.59Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | O5 | sing | 1.43Å | 1.36Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| O5 | C6 | sing | 1.43Å | 1.34Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | O8 | sing | 1.43Å | 1.32Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| O8 | C9 | sing | 1.43Å | 1.32Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | O11 | sing | 1.43Å | 1.32Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| O11 | C12 | sing | 1.43Å | 1.32Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | O14 | sing | 1.43Å | 1.31Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| O14 | C15 | sing | 1.43Å | 1.31Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | O17 | sing | 1.45Å | 1.26Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| O17 | C18 | sing | 1.34Å | 1.28Å | |
| C18 | O19 | doub | 1.21Å | 1.32Å | |
| C18 | C20 | sing | 1.51Å | 1.57Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C21 | C22 | sing | 1.53Å | 1.57Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C26 | C27 | sing | 1.53Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | H331 | sing | 1.09Å | 1.11Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.55Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C36 | H363 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | H11 | 112.8° | 109.5° |
| O2 | C1 | H12 | 111.0° | 109.4° |
| O2 | C1 | H13 | 111.0° | 109.5° |
| C1 | O2 | C3 | 112.7° | 106.8° |
| H11 | C1 | H12 | 111.0° | 109.5° |
| H11 | C1 | H13 | 111.0° | 109.5° |
| H12 | C1 | H13 | 99.3° | 109.5° |
| O2 | C3 | C4 | 110.9° | 109.5° |
| O2 | C3 | H31 | 111.7° | 109.5° |
| O2 | C3 | H32 | 111.7° | 109.5° |
| C4 | C3 | H31 | 111.7° | 109.5° |
| C4 | C3 | H32 | 111.7° | 109.4° |
| C3 | C4 | O5 | 110.3° | 109.5° |
| C3 | C4 | H41 | 112.0° | 109.4° |
| C3 | C4 | H42 | 112.0° | 109.5° |
| H31 | C3 | H32 | 98.8° | 109.5° |
| O5 | C4 | H41 | 111.9° | 109.4° |
| O5 | C4 | H42 | 111.9° | 109.5° |
| C4 | O5 | C6 | 112.6° | 106.8° |
| H41 | C4 | H42 | 98.4° | 109.5° |
| O5 | C6 | C7 | 109.6° | 109.5° |
| O5 | C6 | H61 | 112.2° | 109.5° |
| O5 | C6 | H62 | 112.2° | 109.5° |
| C7 | C6 | H61 | 112.1° | 109.4° |
| C7 | C6 | H62 | 112.1° | 109.5° |
| C6 | C7 | O8 | 109.8° | 109.5° |
| C6 | C7 | H71 | 112.1° | 109.5° |
| C6 | C7 | H72 | 112.2° | 109.5° |
| H61 | C6 | H62 | 98.3° | 109.5° |
| O8 | C7 | H71 | 112.1° | 109.5° |
| O8 | C7 | H72 | 112.0° | 109.5° |
| C7 | O8 | C9 | 112.4° | 106.8° |
| H71 | C7 | H72 | 98.3° | 109.4° |
| O8 | C9 | C10 | 109.2° | 109.5° |
| O8 | C9 | H91 | 112.3° | 109.5° |
| O8 | C9 | H92 | 112.3° | 109.5° |
| C10 | C9 | H91 | 112.3° | 109.5° |
| C10 | C9 | H92 | 112.2° | 109.5° |
| C9 | C10 | O11 | 110.3° | 109.4° |
| C9 | C10 | H101 | 111.9° | 109.5° |
| C9 | C10 | H102 | 111.9° | 109.5° |
| H91 | C9 | H92 | 98.1° | 109.5° |
| O11 | C10 | H101 | 111.9° | 109.5° |
| O11 | C10 | H102 | 111.9° | 109.5° |
| C10 | O11 | C12 | 112.3° | 106.8° |
| H101 | C10 | H102 | 98.5° | 109.5° |
| O11 | C12 | C13 | 109.8° | 109.5° |
| O11 | C12 | H121 | 112.1° | 109.5° |
| O11 | C12 | H122 | 112.1° | 109.4° |
| C13 | C12 | H121 | 112.1° | 109.5° |
| C13 | C12 | H122 | 112.1° | 109.5° |
| C12 | C13 | O14 | 109.4° | 109.5° |
| C12 | C13 | H131 | 112.3° | 109.5° |
| C12 | C13 | H132 | 112.2° | 109.4° |
| H121 | C12 | H122 | 98.3° | 109.5° |
| O14 | C13 | H131 | 112.2° | 109.5° |
| O14 | C13 | H132 | 112.2° | 109.5° |
| C13 | O14 | C15 | 111.3° | 106.8° |
| H131 | C13 | H132 | 98.2° | 109.5° |
| O14 | C15 | C16 | 109.9° | 109.5° |
| O14 | C15 | H151 | 112.1° | 109.4° |
| O14 | C15 | H152 | 112.1° | 109.6° |
| C16 | C15 | H151 | 112.1° | 109.4° |
| C16 | C15 | H152 | 112.0° | 109.4° |
| C15 | C16 | O17 | 118.9° | 109.5° |
| C15 | C16 | H161 | 108.9° | 109.5° |
| C15 | C16 | H162 | 108.8° | 109.5° |
| H151 | C15 | H152 | 98.3° | 109.5° |
| O17 | C16 | H161 | 108.8° | 109.4° |
| O17 | C16 | H162 | 108.8° | 109.5° |
| C16 | O17 | C18 | 112.0° | 120.0° |
| H161 | C16 | H162 | 101.2° | 109.5° |
| O17 | C18 | O19 | 113.4° | 120.0° |
| O17 | C18 | C20 | 119.1° | 120.0° |
| O19 | C18 | C20 | 127.5° | 120.0° |
| C18 | C20 | C21 | 111.6° | 109.5° |
| C18 | C20 | H201 | 111.4° | 109.4° |
| C18 | C20 | H202 | 111.4° | 109.4° |
| C21 | C20 | H201 | 111.5° | 109.5° |
| C21 | C20 | H202 | 111.4° | 109.5° |
| C20 | C21 | C22 | 111.1° | 109.5° |
| C20 | C21 | H211 | 111.6° | 109.5° |
| C20 | C21 | H212 | 111.6° | 109.5° |
| H201 | C20 | H202 | 99.0° | 109.5° |
| C22 | C21 | H211 | 111.6° | 109.5° |
| C22 | C21 | H212 | 111.6° | 109.4° |
| C21 | C22 | C23 | 111.6° | 109.5° |
| C21 | C22 | H221 | 111.4° | 109.4° |
| C21 | C22 | H222 | 111.4° | 109.4° |
| H211 | C21 | H212 | 98.7° | 109.4° |
| C23 | C22 | H221 | 111.5° | 109.4° |
| C23 | C22 | H222 | 111.5° | 109.5° |
| C22 | C23 | C24 | 110.1° | 109.5° |
| C22 | C23 | H231 | 111.9° | 109.5° |
| C22 | C23 | H232 | 111.9° | 109.5° |
| H221 | C22 | H222 | 98.9° | 109.5° |
| C24 | C23 | H231 | 112.0° | 109.4° |
| C24 | C23 | H232 | 112.1° | 109.4° |
| C23 | C24 | C25 | 110.0° | 109.5° |
| C23 | C24 | H241 | 112.0° | 109.4° |
| C23 | C24 | H242 | 112.0° | 109.5° |
| H231 | C23 | H232 | 98.4° | 109.5° |
| C25 | C24 | H241 | 112.0° | 109.4° |
| C25 | C24 | H242 | 112.0° | 109.4° |
| C24 | C25 | C26 | 110.0° | 109.5° |
| C24 | C25 | H251 | 112.0° | 109.4° |
| C24 | C25 | H252 | 112.0° | 109.5° |
| H241 | C24 | H242 | 98.4° | 109.5° |
| C26 | C25 | H251 | 112.0° | 109.4° |
| C26 | C25 | H252 | 112.0° | 109.4° |
| C25 | C26 | C27 | 110.7° | 109.5° |
| C25 | C26 | H261 | 111.7° | 109.4° |
| C25 | C26 | H262 | 111.8° | 109.5° |
| H251 | C25 | H252 | 98.4° | 109.5° |
| C27 | C26 | H261 | 111.7° | 109.4° |
| C27 | C26 | H262 | 111.8° | 109.5° |
| C26 | C27 | C28 | 109.3° | 109.5° |
| C26 | C27 | H271 | 112.3° | 109.4° |
| C26 | C27 | H272 | 112.3° | 109.4° |
| H261 | C26 | H262 | 98.7° | 109.4° |
| C28 | C27 | H271 | 112.3° | 109.5° |
| C28 | C27 | H272 | 112.3° | 109.5° |
| C27 | C28 | C29 | 110.8° | 109.5° |
| C27 | C28 | H281 | 111.7° | 109.5° |
| C27 | C28 | H282 | 111.7° | 109.5° |
| H271 | C27 | H272 | 98.1° | 109.5° |
| C29 | C28 | H281 | 111.7° | 109.4° |
| C29 | C28 | H282 | 111.7° | 109.5° |
| C28 | C29 | C30 | 110.1° | 109.5° |
| C28 | C29 | H291 | 112.0° | 109.4° |
| C28 | C29 | H292 | 112.0° | 109.5° |
| H281 | C28 | H282 | 98.7° | 109.4° |
| C30 | C29 | H291 | 112.0° | 109.4° |
| C30 | C29 | H292 | 112.0° | 109.5° |
| C29 | C30 | C31 | 110.4° | 109.5° |
| C29 | C30 | H301 | 111.9° | 109.4° |
| C29 | C30 | H302 | 111.8° | 109.5° |
| H291 | C29 | H292 | 98.5° | 109.5° |
| C31 | C30 | H301 | 111.9° | 109.4° |
| C31 | C30 | H302 | 111.9° | 109.5° |
| C30 | C31 | C32 | 110.8° | 109.5° |
| C30 | C31 | H311 | 111.7° | 109.4° |
| C30 | C31 | H312 | 111.7° | 109.5° |
| H301 | C30 | H302 | 98.5° | 109.5° |
| C32 | C31 | H311 | 111.7° | 109.5° |
| C32 | C31 | H312 | 111.7° | 109.5° |
| C31 | C32 | C33 | 110.5° | 109.5° |
| C31 | C32 | H321 | 111.9° | 109.4° |
| C31 | C32 | H322 | 111.9° | 109.4° |
| H311 | C31 | H312 | 98.7° | 109.4° |
| C33 | C32 | H321 | 111.9° | 109.5° |
| C33 | C32 | H322 | 111.8° | 109.5° |
| C32 | C33 | C34 | 110.1° | 109.5° |
| C32 | C33 | H331 | 112.0° | 109.5° |
| C32 | C33 | H332 | 112.0° | 109.5° |
| H321 | C32 | H322 | 98.5° | 109.5° |
| C34 | C33 | H331 | 112.0° | 109.5° |
| C34 | C33 | H332 | 112.0° | 109.4° |
| C33 | C34 | C35 | 110.6° | 109.5° |
| C33 | C34 | H341 | 111.8° | 109.5° |
| C33 | C34 | H342 | 111.8° | 109.5° |
| H331 | C33 | H332 | 98.5° | 109.5° |
| C35 | C34 | H341 | 111.8° | 109.5° |
| C35 | C34 | H342 | 111.8° | 109.4° |
| C34 | C35 | C36 | 110.6° | 109.5° |
| C34 | C35 | H351 | 111.8° | 109.5° |
| C34 | C35 | H352 | 111.8° | 109.5° |
| H341 | C34 | H342 | 98.6° | 109.5° |
| C36 | C35 | H351 | 111.8° | 109.5° |
| C36 | C35 | H352 | 111.8° | 109.4° |
| C35 | C36 | H361 | 110.7° | 109.5° |
| C35 | C36 | H362 | 111.8° | 109.4° |
| C35 | C36 | H363 | 111.8° | 109.5° |
| H351 | C35 | H352 | 98.6° | 109.5° |
| H361 | C36 | H362 | 111.8° | 109.4° |
| H361 | C36 | H363 | 111.7° | 109.5° |
| H362 | C36 | H363 | 98.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | H11 | H12 | 125.3° | 119.9° |
| O2 | C1 | H11 | H13 | 125.3° | 120.1° |
| O2 | C1 | H12 | H13 | 116.9° | 120.1° |
| C1 | O2 | C3 | C4 | 87.0° | 180.0° |
| C1 | O2 | C3 | H31 | 38.2° | 60.0° |
| C1 | O2 | C3 | H32 | 147.7° | 60.0° |
| H11 | C1 | H12 | H13 | 116.8° | 120.0° |
| H11 | C1 | O2 | C3 | 180.0° | 60.1° |
| H12 | C1 | O2 | C3 | 54.7° | 180.0° |
| H13 | C1 | O2 | C3 | 54.7° | 60.0° |
| O2 | C3 | C4 | H31 | 125.2° | 120.0° |
| O2 | C3 | C4 | H32 | 125.3° | 120.0° |
| O2 | C3 | H31 | H32 | 117.6° | 120.0° |
| O2 | C3 | C4 | O5 | 134.6° | 59.9° |
| O2 | C3 | C4 | H41 | 100.2° | 60.0° |
| O2 | C3 | C4 | H42 | 9.3° | 180.0° |
| C4 | C3 | H31 | H32 | 117.6° | 120.0° |
| C3 | C4 | O5 | H41 | 125.3° | 120.0° |
| C3 | C4 | O5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.9° | 120.0° |
| C3 | C4 | O5 | C6 | 175.0° | 180.0° |
| H31 | C3 | C4 | O5 | 9.3° | 180.0° |
| H31 | C3 | C4 | H41 | 134.6° | 60.0° |
| H31 | C3 | C4 | H42 | 115.9° | 60.0° |
| H32 | C3 | C4 | O5 | 100.2° | 60.0° |
| H32 | C3 | C4 | H41 | 25.1° | 180.0° |
| H32 | C3 | C4 | H42 | 134.6° | 60.0° |
| O5 | C4 | H41 | H42 | 117.8° | 120.1° |
| C4 | O5 | C6 | C7 | 118.7° | 180.0° |
| C4 | O5 | C6 | H61 | 116.1° | 60.1° |
| C4 | O5 | C6 | H62 | 6.6° | 59.9° |
| H41 | C4 | O5 | C6 | 59.7° | 60.0° |
| H42 | C4 | O5 | C6 | 49.7° | 60.0° |
| O5 | C6 | C7 | H61 | 125.3° | 120.0° |
| O5 | C6 | C7 | H62 | 125.3° | 120.0° |
| O5 | C6 | H61 | H62 | 118.1° | 120.0° |
| O5 | C6 | C7 | O8 | 157.3° | 60.1° |
| O5 | C6 | C7 | H71 | 77.5° | 60.0° |
| O5 | C6 | C7 | H72 | 32.1° | 180.0° |
| C7 | C6 | H61 | H62 | 118.0° | 120.0° |
| C6 | C7 | O8 | H71 | 125.2° | 120.0° |
| C6 | C7 | O8 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 118.1° | 120.0° |
| C6 | C7 | O8 | C9 | 133.2° | 180.0° |
| H61 | C6 | C7 | O8 | 32.0° | 180.0° |
| H61 | C6 | C7 | H71 | 157.2° | 60.0° |
| H61 | C6 | C7 | H72 | 93.2° | 60.0° |
| H62 | C6 | C7 | O8 | 77.4° | 60.0° |
| H62 | C6 | C7 | H71 | 47.8° | 180.0° |
| H62 | C6 | C7 | H72 | 157.3° | 60.0° |
| O8 | C7 | H71 | H72 | 118.0° | 120.0° |
| C7 | O8 | C9 | C10 | 103.1° | 180.0° |
| C7 | O8 | C9 | H91 | 131.6° | 59.9° |
| C7 | O8 | C9 | H92 | 22.1° | 60.0° |
| H71 | C7 | O8 | C9 | 8.0° | 60.0° |
| H72 | C7 | O8 | C9 | 101.5° | 60.0° |
| O8 | C9 | C10 | H91 | 125.3° | 120.0° |
| O8 | C9 | C10 | H92 | 125.3° | 120.0° |
| O8 | C9 | H91 | H92 | 118.3° | 120.0° |
| O8 | C9 | C10 | O11 | 139.0° | 60.0° |
| O8 | C9 | C10 | H101 | 95.7° | 60.0° |
| O8 | C9 | C10 | H102 | 13.8° | 180.0° |
| C10 | C9 | H91 | H92 | 118.2° | 120.0° |
| C9 | C10 | O11 | H101 | 125.3° | 120.0° |
| C9 | C10 | O11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 117.8° | 120.0° |
| C9 | C10 | O11 | C12 | 90.0° | 180.0° |
| H91 | C9 | C10 | O11 | 13.8° | 180.0° |
| H91 | C9 | C10 | H101 | 139.0° | 60.0° |
| H91 | C9 | C10 | H102 | 111.5° | 60.0° |
| H92 | C9 | C10 | O11 | 95.7° | 60.0° |
| H92 | C9 | C10 | H101 | 29.6° | 180.0° |
| H92 | C9 | C10 | H102 | 139.1° | 60.0° |
| O11 | C10 | H101 | H102 | 117.8° | 120.0° |
| C10 | O11 | C12 | C13 | 120.8° | 180.0° |
| C10 | O11 | C12 | H121 | 114.0° | 60.0° |
| C10 | O11 | C12 | H122 | 4.5° | 60.0° |
| H101 | C10 | O11 | C12 | 35.3° | 60.0° |
| H102 | C10 | O11 | C12 | 144.8° | 60.1° |
| O11 | C12 | C13 | H121 | 125.3° | 120.0° |
| O11 | C12 | C13 | H122 | 125.3° | 119.9° |
| O11 | C12 | H121 | H122 | 118.1° | 120.0° |
| O11 | C12 | C13 | O14 | 160.0° | 60.0° |
| O11 | C12 | C13 | H131 | 74.8° | 60.0° |
| O11 | C12 | C13 | H132 | 34.7° | 180.0° |
| C13 | C12 | H121 | H122 | 118.0° | 120.0° |
| C12 | C13 | O14 | H131 | 125.3° | 120.0° |
| C12 | C13 | O14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 118.2° | 120.0° |
| C12 | C13 | O14 | C15 | 162.0° | 179.9° |
| H121 | C12 | C13 | O14 | 34.7° | 180.0° |
| H121 | C12 | C13 | H131 | 160.0° | 60.0° |
| H121 | C12 | C13 | H132 | 90.5° | 60.0° |
| H122 | C12 | C13 | O14 | 74.7° | 60.0° |
| H122 | C12 | C13 | H131 | 50.5° | 180.0° |
| H122 | C12 | C13 | H132 | 160.0° | 60.0° |
| O14 | C13 | H131 | H132 | 118.1° | 120.0° |
| C13 | O14 | C15 | C16 | 152.6° | 180.0° |
| C13 | O14 | C15 | H151 | 27.4° | 60.1° |
| C13 | O14 | C15 | H152 | 82.1° | 60.0° |
| H131 | C13 | O14 | C15 | 72.7° | 60.1° |
| H132 | C13 | O14 | C15 | 36.7° | 59.9° |
| O14 | C15 | C16 | H151 | 125.3° | 119.9° |
| O14 | C15 | C16 | H152 | 125.3° | 120.1° |
| O14 | C15 | H151 | H152 | 118.0° | 120.1° |
| O14 | C15 | C16 | O17 | 95.3° | 60.1° |
| O14 | C15 | C16 | H161 | 30.0° | 59.9° |
| O14 | C15 | C16 | H162 | 139.4° | 179.9° |
| C16 | C15 | H151 | H152 | 117.9° | 119.9° |
| C15 | C16 | O17 | H161 | 125.3° | 120.0° |
| C15 | C16 | O17 | H162 | 125.3° | 120.1° |
| C15 | C16 | H161 | H162 | 114.5° | 120.1° |
| C15 | C16 | O17 | C18 | 115.7° | 180.0° |
| H151 | C15 | C16 | O17 | 139.4° | 180.0° |
| H151 | C15 | C16 | H161 | 95.3° | 60.0° |
| H151 | C15 | C16 | H162 | 14.1° | 60.0° |
| H152 | C15 | C16 | O17 | 30.0° | 60.1° |
| H152 | C15 | C16 | H161 | 155.3° | 180.0° |
| H152 | C15 | C16 | H162 | 95.3° | 59.9° |
| O17 | C16 | H161 | H162 | 114.5° | 120.0° |
| C16 | O17 | C18 | O19 | 102.6° | 0.1° |
| C16 | O17 | C18 | C20 | 79.0° | 180.0° |
| H161 | C16 | O17 | C18 | 9.6° | 60.0° |
| H162 | C16 | O17 | C18 | 119.1° | 59.9° |
| O17 | C18 | O19 | C20 | 178.3° | 179.9° |
| O17 | C18 | C20 | C21 | 137.5° | 180.0° |
| O17 | C18 | C20 | H201 | 12.2° | 60.0° |
| O17 | C18 | C20 | H202 | 97.3° | 60.0° |
| O19 | C18 | C20 | C21 | 40.7° | 0.0° |
| O19 | C18 | C20 | H201 | 166.0° | 120.0° |
| O19 | C18 | C20 | H202 | 84.5° | 120.0° |
| C18 | C20 | C21 | H201 | 125.2° | 120.0° |
| C18 | C20 | C21 | H202 | 125.2° | 120.0° |
| C18 | C20 | H201 | H202 | 117.3° | 120.0° |
| C18 | C20 | C21 | C22 | 169.9° | 180.0° |
| C18 | C20 | C21 | H211 | 44.6° | 60.0° |
| C18 | C20 | C21 | H212 | 64.8° | 60.0° |
| C21 | C20 | H201 | H202 | 117.4° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 120.1° |
| C20 | C21 | C22 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 117.5° | 120.0° |
| C20 | C21 | C22 | C23 | 59.6° | 180.0° |
| C20 | C21 | C22 | H221 | 175.1° | 60.0° |
| C20 | C21 | C22 | H222 | 65.7° | 60.0° |
| H201 | C20 | C21 | C22 | 64.9° | 60.0° |
| H201 | C20 | C21 | H211 | 169.8° | 180.0° |
| H201 | C20 | C21 | H212 | 60.4° | 60.0° |
| H202 | C20 | C21 | C22 | 44.7° | 60.0° |
| H202 | C20 | C21 | H211 | 80.6° | 60.0° |
| H202 | C20 | C21 | H212 | 170.0° | 180.0° |
| C22 | C21 | H211 | H212 | 117.5° | 119.9° |
| C21 | C22 | C23 | H221 | 125.3° | 120.0° |
| C21 | C22 | C23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 117.3° | 119.9° |
| C21 | C22 | C23 | C24 | 105.2° | 180.0° |
| C21 | C22 | C23 | H231 | 20.1° | 60.0° |
| C21 | C22 | C23 | H232 | 129.5° | 60.0° |
| H211 | C21 | C22 | C23 | 65.7° | 60.0° |
| H211 | C21 | C22 | H221 | 59.6° | 180.0° |
| H211 | C21 | C22 | H222 | 169.0° | 60.0° |
| H212 | C21 | C22 | C23 | 175.1° | 59.9° |
| H212 | C21 | C22 | H221 | 49.8° | 60.0° |
| H212 | C21 | C22 | H222 | 59.6° | 180.0° |
| C23 | C22 | H221 | H222 | 117.4° | 120.0° |
| C22 | C23 | C24 | H231 | 125.2° | 120.0° |
| C22 | C23 | C24 | H232 | 125.2° | 120.0° |
| C22 | C23 | H231 | H232 | 117.8° | 120.0° |
| C22 | C23 | C24 | C25 | 74.5° | 180.0° |
| C22 | C23 | C24 | H241 | 50.7° | 60.0° |
| C22 | C23 | C24 | H242 | 160.2° | 60.0° |
| H221 | C22 | C23 | C24 | 129.5° | 60.1° |
| H221 | C22 | C23 | H231 | 105.2° | 180.0° |
| H221 | C22 | C23 | H232 | 4.2° | 60.0° |
| H222 | C22 | C23 | C24 | 20.1° | 60.0° |
| H222 | C22 | C23 | H231 | 145.3° | 60.0° |
| H222 | C22 | C23 | H232 | 105.2° | 180.0° |
| C24 | C23 | H231 | H232 | 118.0° | 120.0° |
| C23 | C24 | C25 | H241 | 125.2° | 120.0° |
| C23 | C24 | C25 | H242 | 125.2° | 120.1° |
| C23 | C24 | H241 | H242 | 117.9° | 120.0° |
| C23 | C24 | C25 | C26 | 179.2° | 180.0° |
| C23 | C24 | C25 | H251 | 54.0° | 60.0° |
| C23 | C24 | C25 | H252 | 55.5° | 60.0° |
| H231 | C23 | C24 | C25 | 160.2° | 60.0° |
| H231 | C23 | C24 | H241 | 74.5° | 180.0° |
| H231 | C23 | C24 | H242 | 35.0° | 60.0° |
| H232 | C23 | C24 | C25 | 50.7° | 60.0° |
| H232 | C23 | C24 | H241 | 176.0° | 60.0° |
| H232 | C23 | C24 | H242 | 74.6° | 180.0° |
| C25 | C24 | H241 | H242 | 118.0° | 119.9° |
| C24 | C25 | C26 | H251 | 125.3° | 120.0° |
| C24 | C25 | C26 | H252 | 125.3° | 120.0° |
| C24 | C25 | H251 | H252 | 117.9° | 120.0° |
| C24 | C25 | C26 | C27 | 147.8° | NaN° |
| C24 | C25 | C26 | H261 | 22.6° | 60.0° |
| C24 | C25 | C26 | H262 | 87.0° | 59.9° |
| H241 | C24 | C25 | C26 | 55.5° | 60.0° |
| H241 | C24 | C25 | H251 | 179.2° | 180.0° |
| H241 | C24 | C25 | H252 | 69.7° | 60.0° |
| H242 | C24 | C25 | C26 | 54.0° | 59.9° |
| H242 | C24 | C25 | H251 | 71.3° | 60.0° |
| H242 | C24 | C25 | H252 | 179.3° | 180.0° |
| C26 | C25 | H251 | H252 | 117.9° | 119.9° |
| C25 | C26 | C27 | H261 | 125.2° | 120.0° |
| C25 | C26 | C27 | H262 | 125.3° | 120.1° |
| C25 | C26 | H261 | H262 | 117.7° | 119.9° |
| C25 | C26 | C27 | C28 | 157.4° | 180.0° |
| C25 | C26 | C27 | H271 | 77.4° | 60.0° |
| C25 | C26 | C27 | H272 | 32.1° | 59.9° |
| H251 | C25 | C26 | C27 | 86.9° | 60.0° |
| H251 | C25 | C26 | H261 | 147.8° | 180.0° |
| H251 | C25 | C26 | H262 | 38.3° | 60.1° |
| H252 | C25 | C26 | C27 | 22.5° | 60.0° |
| H252 | C25 | C26 | H261 | 102.7° | 60.0° |
| H252 | C25 | C26 | H262 | 147.8° | 179.9° |
| C27 | C26 | H261 | H262 | 117.7° | 120.0° |
| C26 | C27 | C28 | H271 | 125.3° | 120.0° |
| C26 | C27 | C28 | H272 | 125.2° | 120.0° |
| C26 | C27 | H271 | H272 | 118.2° | 119.9° |
| C26 | C27 | C28 | C29 | 150.8° | 180.0° |
| C26 | C27 | C28 | H281 | 83.9° | 60.0° |
| C26 | C27 | C28 | H282 | 25.5° | 60.0° |
| H261 | C26 | C27 | C28 | 32.1° | 60.0° |
| H261 | C26 | C27 | H271 | 157.4° | 180.0° |
| H261 | C26 | C27 | H272 | 93.1° | 60.0° |
| H262 | C26 | C27 | C28 | 77.4° | 59.9° |
| H262 | C26 | C27 | H271 | 47.9° | 60.1° |
| H262 | C26 | C27 | H272 | 157.4° | 180.0° |
| C28 | C27 | H271 | H272 | 118.2° | 120.0° |
| C27 | C28 | C29 | H281 | 125.2° | 120.1° |
| C27 | C28 | C29 | H282 | 125.3° | 120.1° |
| C27 | C28 | H281 | H282 | 117.6° | 120.0° |
| C27 | C28 | C29 | C30 | 89.5° | 180.0° |
| C27 | C28 | C29 | H291 | 145.3° | 60.0° |
| C27 | C28 | C29 | H292 | 35.8° | 60.0° |
| H271 | C27 | C28 | C29 | 25.6° | 60.0° |
| H271 | C27 | C28 | H281 | 150.8° | 180.0° |
| H271 | C27 | C28 | H282 | 99.8° | 60.0° |
| H272 | C27 | C28 | C29 | 83.9° | 60.0° |
| H272 | C27 | C28 | H281 | 41.3° | 60.0° |
| H272 | C27 | C28 | H282 | 150.8° | 180.0° |
| C29 | C28 | H281 | H282 | 117.6° | 119.9° |
| C28 | C29 | C30 | H291 | 125.2° | 120.0° |
| C28 | C29 | C30 | H292 | 125.2° | 120.1° |
| C28 | C29 | H291 | H292 | 117.9° | 120.0° |
| C28 | C29 | C30 | C31 | 137.9° | 180.0° |
| C28 | C29 | C30 | H301 | 96.8° | 60.0° |
| C28 | C29 | C30 | H302 | 12.6° | 60.0° |
| H281 | C28 | C29 | C30 | 35.7° | 60.0° |
| H281 | C28 | C29 | H291 | 89.5° | 179.9° |
| H281 | C28 | C29 | H292 | 161.0° | 60.1° |
| H282 | C28 | C29 | C30 | 145.2° | 59.9° |
| H282 | C28 | C29 | H291 | 20.0° | 60.0° |
| H282 | C28 | C29 | H292 | 89.5° | 179.9° |
| C30 | C29 | H291 | H292 | 117.9° | 120.0° |
| C29 | C30 | C31 | H301 | 125.3° | 120.0° |
| C29 | C30 | C31 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H302 | 117.7° | 120.0° |
| C29 | C30 | C31 | C32 | 104.9° | 180.0° |
| C29 | C30 | C31 | H311 | 20.4° | 60.0° |
| C29 | C30 | C31 | H312 | 129.9° | 59.9° |
| H291 | C29 | C30 | C31 | 12.6° | 60.0° |
| H291 | C29 | C30 | H301 | 137.9° | 180.0° |
| H291 | C29 | C30 | H302 | 112.7° | 60.0° |
| H292 | C29 | C30 | C31 | 96.9° | 59.9° |
| H292 | C29 | C30 | H301 | 28.4° | 60.0° |
| H292 | C29 | C30 | H302 | 137.8° | 180.0° |
| C31 | C30 | H301 | H302 | 117.8° | 120.0° |
| C30 | C31 | C32 | H311 | 125.2° | 120.0° |
| C30 | C31 | C32 | H312 | 125.2° | 120.0° |
| C30 | C31 | H311 | H312 | 117.6° | 119.9° |
| C30 | C31 | C32 | C33 | 88.9° | 180.0° |
| C30 | C31 | C32 | H321 | 145.7° | 60.0° |
| C30 | C31 | C32 | H322 | 36.3° | 60.0° |
| H301 | C30 | C31 | C32 | 129.8° | 60.0° |
| H301 | C30 | C31 | H311 | 104.9° | 180.0° |
| H301 | C30 | C31 | H312 | 4.6° | 60.0° |
| H302 | C30 | C31 | C32 | 20.4° | 60.0° |
| H302 | C30 | C31 | H311 | 145.6° | 60.0° |
| H302 | C30 | C31 | H312 | 104.8° | 179.9° |
| C32 | C31 | H311 | H312 | 117.6° | 120.0° |
| C31 | C32 | C33 | H321 | 125.3° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 117.7° | 119.9° |
| C31 | C32 | C33 | C34 | 155.2° | 180.0° |
| C31 | C32 | C33 | H331 | 30.0° | 60.0° |
| C31 | C32 | C33 | H332 | 79.6° | 60.0° |
| H311 | C31 | C32 | C33 | 36.3° | 59.9° |
| H311 | C31 | C32 | H321 | 89.0° | 180.0° |
| H311 | C31 | C32 | H322 | 161.6° | 60.0° |
| H312 | C31 | C32 | C33 | 145.8° | 60.0° |
| H312 | C31 | C32 | H321 | 20.5° | 60.0° |
| H312 | C31 | C32 | H322 | 88.9° | 180.0° |
| C33 | C32 | H321 | H322 | 117.7° | 120.0° |
| C32 | C33 | C34 | H331 | 125.2° | 120.1° |
| C32 | C33 | C34 | H332 | 125.3° | 120.0° |
| C32 | C33 | H331 | H332 | 117.9° | 120.0° |
| C32 | C33 | C34 | C35 | 157.4° | 180.0° |
| C32 | C33 | C34 | H341 | 77.3° | 59.9° |
| C32 | C33 | C34 | H342 | 32.1° | 60.0° |
| H321 | C32 | C33 | C34 | 79.5° | 60.0° |
| H321 | C32 | C33 | H331 | 155.3° | 180.0° |
| H321 | C32 | C33 | H332 | 45.7° | 60.0° |
| H322 | C32 | C33 | C34 | 29.9° | 60.0° |
| H322 | C32 | C33 | H331 | 95.3° | 60.0° |
| H322 | C32 | C33 | H332 | 155.1° | 180.0° |
| C34 | C33 | H331 | H332 | 117.9° | 119.9° |
| C33 | C34 | C35 | H341 | 125.3° | 120.0° |
| C33 | C34 | C35 | H342 | 125.3° | 120.0° |
| C33 | C34 | H341 | H342 | 117.7° | 120.0° |
| C33 | C34 | C35 | C36 | 138.3° | 180.0° |
| C33 | C34 | C35 | H351 | 96.4° | 60.0° |
| C33 | C34 | C35 | H352 | 13.0° | 60.0° |
| H331 | C33 | C34 | C35 | 32.2° | 59.9° |
| H331 | C33 | C34 | H341 | 157.5° | 180.0° |
| H331 | C33 | C34 | H342 | 93.1° | 60.0° |
| H332 | C33 | C34 | C35 | 77.3° | 60.0° |
| H332 | C33 | C34 | H341 | 48.0° | 60.0° |
| H332 | C33 | C34 | H342 | 157.4° | 180.0° |
| C35 | C34 | H341 | H342 | 117.7° | 119.9° |
| C34 | C35 | C36 | H351 | 125.2° | 120.1° |
| C34 | C35 | C36 | H352 | 125.3° | 120.0° |
| C34 | C35 | H351 | H352 | 117.7° | 120.0° |
| C34 | C35 | C36 | H361 | 180.0° | 180.0° |
| C34 | C35 | C36 | H362 | 54.7° | 60.0° |
| C34 | C35 | C36 | H363 | 54.8° | 59.9° |
| H341 | C34 | C35 | C36 | 13.0° | 60.0° |
| H341 | C34 | C35 | H351 | 138.3° | 180.0° |
| H341 | C34 | C35 | H352 | 112.3° | 60.0° |
| H342 | C34 | C35 | C36 | 96.4° | 60.0° |
| H342 | C34 | C35 | H351 | 28.8° | 60.0° |
| H342 | C34 | C35 | H352 | 138.3° | 180.0° |
| C36 | C35 | H351 | H352 | 117.7° | 119.9° |
| C35 | C36 | H361 | H362 | 125.3° | 120.0° |
| C35 | C36 | H361 | H363 | 125.2° | 120.1° |
| C35 | C36 | H362 | H363 | 117.7° | 120.0° |
| H351 | C35 | C36 | H361 | 54.7° | 59.9° |
| H351 | C35 | C36 | H362 | 179.9° | 60.0° |
| H351 | C35 | C36 | H363 | 70.5° | 180.0° |
| H352 | C35 | C36 | H361 | 54.8° | 60.0° |
| H352 | C35 | C36 | H362 | 70.6° | NaN° |
| H352 | C35 | C36 | H363 | 180.0° | 60.0° |
| H361 | C36 | H362 | H363 | 117.6° | 120.0° |
