CE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.47Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.47Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.46Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.46Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.45Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.47Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.45Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.44Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | O13 | sing | 1.43Å | 1.45Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O13 | C14 | sing | 1.43Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | sing | 1.43Å | 1.47Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O16 | C17 | sing | 1.43Å | 1.44Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | O19 | sing | 1.43Å | 1.46Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O19 | C20 | sing | 1.43Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.59Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | O22 | sing | 1.43Å | 1.47Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O22 | C23 | sing | 1.43Å | 1.47Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | O25 | sing | 1.43Å | 1.45Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| O25 | C26 | sing | 1.43Å | 1.46Å | |
| C26 | C27 | sing | 1.53Å | 1.56Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | O28 | sing | 1.43Å | 1.38Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | O31 | sing | 1.43Å | 1.44Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| O31 | C32 | sing | 1.43Å | 1.46Å | |
| C32 | C33 | sing | 1.53Å | 1.56Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | O34 | sing | 1.43Å | 1.45Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| O34 | C35 | sing | 1.43Å | 1.45Å | |
| C35 | C36 | sing | 1.53Å | 1.58Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | O37 | sing | 1.43Å | 1.47Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| O37 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.5° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | C3 | 114.2° | 109.5° |
| C1 | C2 | H21 | 106.8° | 109.4° |
| C1 | C2 | H22 | 107.9° | 109.5° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.4° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.5° |
| C3 | C2 | H21 | 106.8° | 109.5° |
| C3 | C2 | H22 | 107.9° | 109.5° |
| C2 | C3 | C4 | 109.0° | 109.5° |
| C2 | C3 | H31 | 109.7° | 109.4° |
| C2 | C3 | H32 | 109.6° | 109.5° |
| H21 | C2 | H22 | 113.3° | 109.4° |
| C4 | C3 | H31 | 109.7° | 109.5° |
| C4 | C3 | H32 | 109.6° | 109.4° |
| C3 | C4 | C5 | 110.3° | 109.5° |
| C3 | C4 | H41 | 109.0° | 109.5° |
| C3 | C4 | H42 | 109.2° | 109.5° |
| H31 | C3 | H32 | 109.1° | 109.5° |
| C5 | C4 | H41 | 109.0° | 109.5° |
| C5 | C4 | H42 | 109.2° | 109.4° |
| C4 | C5 | C6 | 109.3° | 109.5° |
| C4 | C5 | H51 | 109.6° | 109.4° |
| C4 | C5 | H52 | 109.5° | 109.4° |
| H41 | C4 | H42 | 110.1° | 109.4° |
| C6 | C5 | H51 | 109.6° | 109.5° |
| C6 | C5 | H52 | 109.5° | 109.4° |
| C5 | C6 | C7 | 110.7° | 109.5° |
| C5 | C6 | H61 | 108.8° | 109.5° |
| C5 | C6 | H62 | 109.1° | 109.5° |
| H51 | C5 | H52 | 109.3° | 109.5° |
| C7 | C6 | H61 | 108.8° | 109.4° |
| C7 | C6 | H62 | 109.1° | 109.5° |
| C6 | C7 | C8 | 108.8° | 109.5° |
| C6 | C7 | H71 | 109.8° | 109.4° |
| C6 | C7 | H72 | 109.7° | 109.5° |
| H61 | C6 | H62 | 110.4° | 109.4° |
| C8 | C7 | H71 | 109.9° | 109.5° |
| C8 | C7 | H72 | 109.7° | 109.5° |
| C7 | C8 | C9 | 109.4° | 109.5° |
| C7 | C8 | H81 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.0° | 109.5° |
| C9 | C8 | H81 | 109.5° | 109.4° |
| C9 | C8 | H82 | 109.5° | 109.6° |
| C8 | C9 | C10 | 111.4° | 109.5° |
| C8 | C9 | H91 | 108.4° | 109.5° |
| C8 | C9 | H92 | 108.8° | 109.6° |
| H81 | C8 | H82 | 109.4° | 109.5° |
| C10 | C9 | H91 | 108.4° | 109.4° |
| C10 | C9 | H92 | 108.8° | 109.5° |
| C9 | C10 | C11 | 108.8° | 109.5° |
| C9 | C10 | H101 | 109.8° | 109.5° |
| C9 | C10 | H102 | 109.7° | 109.5° |
| H91 | C9 | H92 | 111.0° | 109.4° |
| C11 | C10 | H101 | 109.9° | 109.4° |
| C11 | C10 | H102 | 109.7° | 109.5° |
| C10 | C11 | C12 | 105.9° | 109.5° |
| C10 | C11 | H111 | 111.5° | 109.5° |
| C10 | C11 | H112 | 110.7° | 109.5° |
| H101 | C10 | H102 | 108.9° | 109.5° |
| C12 | C11 | H111 | 111.5° | 109.5° |
| C12 | C11 | H112 | 110.7° | 109.4° |
| C11 | C12 | O13 | 119.1° | 109.5° |
| C11 | C12 | H121 | 104.1° | 109.5° |
| C11 | C12 | H122 | 106.3° | 109.5° |
| H111 | C11 | H112 | 106.7° | 109.5° |
| O13 | C12 | H121 | 104.1° | 109.4° |
| O13 | C12 | H122 | 106.4° | 109.4° |
| C12 | O13 | C14 | 110.5° | 106.8° |
| H121 | C12 | H122 | 117.5° | 109.5° |
| O13 | C14 | C15 | 124.0° | 109.5° |
| O13 | C14 | H141 | 101.5° | 109.5° |
| O13 | C14 | H142 | 104.9° | 109.5° |
| C15 | C14 | H141 | 101.5° | 109.5° |
| C15 | C14 | H142 | 104.9° | 109.4° |
| C14 | C15 | O16 | 122.8° | 109.4° |
| C14 | C15 | H151 | 102.1° | 109.5° |
| C14 | C15 | H152 | 105.2° | 109.5° |
| H141 | C14 | H142 | 121.7° | 109.5° |
| O16 | C15 | H151 | 102.1° | 109.4° |
| O16 | C15 | H152 | 105.2° | 109.5° |
| C15 | O16 | C17 | 111.2° | 106.8° |
| H151 | C15 | H152 | 120.7° | 109.5° |
| O16 | C17 | C18 | 120.6° | 109.5° |
| O16 | C17 | H171 | 103.3° | 109.4° |
| O16 | C17 | H172 | 105.9° | 109.5° |
| C18 | C17 | H171 | 103.3° | 109.5° |
| C18 | C17 | H172 | 105.9° | 109.5° |
| C17 | C18 | O19 | 121.4° | 109.4° |
| C17 | C18 | H181 | 102.9° | 109.4° |
| C17 | C18 | H182 | 105.7° | 109.5° |
| H171 | C17 | H172 | 118.7° | 109.4° |
| O19 | C18 | H181 | 102.9° | 109.5° |
| O19 | C18 | H182 | 105.7° | 109.5° |
| C18 | O19 | C20 | 111.0° | 106.8° |
| H181 | C18 | H182 | 119.4° | 109.5° |
| O19 | C20 | C21 | 122.7° | 109.5° |
| O19 | C20 | H201 | 102.2° | 109.5° |
| O19 | C20 | H202 | 105.3° | 109.4° |
| C21 | C20 | H201 | 102.2° | 109.5° |
| C21 | C20 | H202 | 105.3° | 109.5° |
| C20 | C21 | O22 | 121.7° | 109.5° |
| C20 | C21 | H211 | 102.7° | 109.5° |
| C20 | C21 | H212 | 105.6° | 109.4° |
| H201 | C20 | H202 | 120.6° | 109.5° |
| O22 | C21 | H211 | 102.7° | 109.5° |
| O22 | C21 | H212 | 105.6° | 109.4° |
| C21 | O22 | C23 | 109.2° | 106.8° |
| H211 | C21 | H212 | 119.6° | 109.5° |
| O22 | C23 | C24 | 123.8° | 109.5° |
| O22 | C23 | H231 | 101.5° | 109.6° |
| O22 | C23 | H232 | 104.9° | 109.4° |
| C24 | C23 | H231 | 101.6° | 109.4° |
| C24 | C23 | H232 | 104.9° | 109.5° |
| C23 | C24 | O25 | 124.4° | 109.5° |
| C23 | C24 | H241 | 101.2° | 109.5° |
| C23 | C24 | H242 | 104.7° | 109.5° |
| H231 | C23 | H232 | 121.6° | 109.4° |
| O25 | C24 | H241 | 101.3° | 109.5° |
| O25 | C24 | H242 | 104.8° | 109.5° |
| C24 | O25 | C26 | 112.3° | 106.8° |
| H241 | C24 | H242 | 122.1° | 109.4° |
| O25 | C26 | C27 | 121.2° | 109.5° |
| O25 | C26 | H261 | 102.9° | 109.5° |
| O25 | C26 | H262 | 105.7° | 109.5° |
| C27 | C26 | H261 | 103.0° | 109.5° |
| C27 | C26 | H262 | 105.7° | 109.4° |
| C26 | C27 | O28 | 124.8° | 109.4° |
| C26 | C27 | H271 | 101.1° | 109.5° |
| C26 | C27 | H272 | 104.6° | 109.5° |
| H261 | C26 | H262 | 119.2° | 109.4° |
| O28 | C27 | H271 | 101.1° | 109.4° |
| O28 | C27 | H272 | 104.7° | 109.4° |
| C27 | O28 | C29 | 117.8° | 106.8° |
| H271 | C27 | H272 | 122.5° | 109.5° |
| O28 | C29 | C30 | 121.6° | 109.5° |
| O28 | C29 | H291 | 102.8° | 109.5° |
| O28 | C29 | H292 | 105.6° | 109.5° |
| C30 | C29 | H291 | 102.8° | 109.4° |
| C30 | C29 | H292 | 105.6° | 109.5° |
| C29 | C30 | O31 | 121.8° | 109.4° |
| C29 | C30 | H301 | 102.7° | 109.5° |
| C29 | C30 | H302 | 105.6° | 109.4° |
| H291 | C29 | H292 | 119.6° | 109.4° |
| O31 | C30 | H301 | 102.7° | 109.5° |
| O31 | C30 | H302 | 105.5° | 109.5° |
| C30 | O31 | C32 | 112.0° | 106.7° |
| H301 | C30 | H302 | 119.7° | 109.5° |
| O31 | C32 | C33 | 121.5° | 109.5° |
| O31 | C32 | H321 | 102.8° | 109.5° |
| O31 | C32 | H322 | 105.7° | 109.5° |
| C33 | C32 | H321 | 102.8° | 109.5° |
| C33 | C32 | H322 | 105.6° | 109.5° |
| C32 | C33 | O34 | 123.6° | 109.4° |
| C32 | C33 | H331 | 101.7° | 109.4° |
| C32 | C33 | H332 | 105.0° | 109.5° |
| H321 | C32 | H322 | 119.5° | 109.4° |
| O34 | C33 | H331 | 101.7° | 109.5° |
| O34 | C33 | H332 | 105.0° | 109.5° |
| C33 | O34 | C35 | 111.7° | 106.7° |
| H331 | C33 | H332 | 121.4° | 109.5° |
| O34 | C35 | C36 | 122.0° | 109.5° |
| O34 | C35 | H351 | 102.5° | 109.5° |
| O34 | C35 | H352 | 105.5° | 109.5° |
| C36 | C35 | H351 | 102.5° | 109.5° |
| C36 | C35 | H352 | 105.5° | 109.4° |
| C35 | C36 | O37 | 118.3° | 109.5° |
| C35 | C36 | H361 | 104.6° | 109.5° |
| C35 | C36 | H362 | 106.6° | 109.5° |
| H351 | C35 | H352 | 120.0° | 109.5° |
| O37 | C36 | H361 | 104.6° | 109.5° |
| O37 | C36 | H362 | 106.6° | 109.4° |
| C36 | O37 | H37 | 109.5° | 106.8° |
| H361 | C36 | H362 | 116.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C3 | H21 | 117.9° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 120.1° |
| C1 | C2 | H21 | H22 | 118.7° | 119.9° |
| C1 | C2 | C3 | C4 | 150.8° | 180.0° |
| C1 | C2 | C3 | H31 | 30.6° | 60.0° |
| C1 | C2 | C3 | H32 | 89.3° | 60.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | C3 | 9.6° | 60.0° |
| H11 | C1 | C2 | H21 | 127.5° | 180.0° |
| H11 | C1 | C2 | H22 | 110.4° | 60.0° |
| H12 | C1 | C2 | C3 | 129.6° | 180.0° |
| H12 | C1 | C2 | H21 | 112.5° | 60.0° |
| H12 | C1 | C2 | H22 | 9.6° | 59.9° |
| H13 | C1 | C2 | C3 | 110.4° | 60.0° |
| H13 | C1 | C2 | H21 | 7.5° | 60.0° |
| H13 | C1 | C2 | H22 | 129.6° | 180.0° |
| C3 | C2 | H21 | H22 | 118.7° | 120.0° |
| C2 | C3 | C4 | H31 | 120.2° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 120.1° | 120.0° |
| C2 | C3 | C4 | C5 | 156.7° | 180.0° |
| C2 | C3 | C4 | H41 | 83.7° | 60.0° |
| C2 | C3 | C4 | H42 | 36.7° | 60.0° |
| H21 | C2 | C3 | C4 | 91.4° | 60.0° |
| H21 | C2 | C3 | H31 | 148.5° | 180.0° |
| H21 | C2 | C3 | H32 | 28.6° | 60.0° |
| H22 | C2 | C3 | C4 | 30.8° | 60.0° |
| H22 | C2 | C3 | H31 | 89.4° | 60.0° |
| H22 | C2 | C3 | H32 | 150.8° | 180.0° |
| C4 | C3 | H31 | H32 | 120.1° | 120.0° |
| C3 | C4 | C5 | H41 | 119.7° | 120.1° |
| C3 | C4 | C5 | H42 | 120.0° | 120.0° |
| C3 | C4 | H41 | H42 | 119.8° | 120.0° |
| C3 | C4 | C5 | C6 | 174.3° | 180.0° |
| C3 | C4 | C5 | H51 | 65.6° | 59.9° |
| C3 | C4 | C5 | H52 | 54.3° | 60.0° |
| H31 | C3 | C4 | C5 | 36.5° | 60.0° |
| H31 | C3 | C4 | H41 | 156.1° | 180.0° |
| H31 | C3 | C4 | H42 | 83.5° | 60.0° |
| H32 | C3 | C4 | C5 | 83.3° | 60.0° |
| H32 | C3 | C4 | H41 | 36.3° | 60.0° |
| H32 | C3 | C4 | H42 | 156.7° | 180.0° |
| C5 | C4 | H41 | H42 | 119.8° | 119.9° |
| C4 | C5 | C6 | H51 | 120.1° | 120.0° |
| C4 | C5 | C6 | H52 | 120.0° | 119.9° |
| C4 | C5 | H51 | H52 | 120.0° | 119.9° |
| C4 | C5 | C6 | C7 | 147.9° | 180.0° |
| C4 | C5 | C6 | H61 | 28.5° | 59.9° |
| C4 | C5 | C6 | H62 | 92.0° | 60.0° |
| H41 | C4 | C5 | C6 | 54.6° | 59.9° |
| H41 | C4 | C5 | H51 | 174.7° | 180.0° |
| H41 | C4 | C5 | H52 | 65.3° | 60.0° |
| H42 | C4 | C5 | C6 | 65.7° | 60.0° |
| H42 | C4 | C5 | H51 | 54.4° | 60.1° |
| H42 | C4 | C5 | H52 | 174.3° | 180.0° |
| C6 | C5 | H51 | H52 | 120.1° | 120.0° |
| C5 | C6 | C7 | H61 | 119.5° | 120.1° |
| C5 | C6 | C7 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H62 | 119.7° | 120.0° |
| C5 | C6 | C7 | C8 | 174.4° | 180.0° |
| C5 | C6 | C7 | H71 | 65.3° | 60.0° |
| C5 | C6 | C7 | H72 | 54.4° | 60.0° |
| H51 | C5 | C6 | C7 | 92.0° | 60.0° |
| H51 | C5 | C6 | H61 | 148.5° | 180.0° |
| H51 | C5 | C6 | H62 | 28.0° | 60.0° |
| H52 | C5 | C6 | C7 | 28.0° | 60.0° |
| H52 | C5 | C6 | H61 | 91.5° | 60.0° |
| H52 | C5 | C6 | H62 | 148.0° | 179.9° |
| C7 | C6 | H61 | H62 | 119.7° | 120.0° |
| C6 | C7 | C8 | H71 | 120.2° | 120.0° |
| C6 | C7 | C8 | H72 | 120.0° | 120.0° |
| C6 | C7 | H71 | H72 | 120.2° | 120.0° |
| C6 | C7 | C8 | C9 | 155.5° | 180.0° |
| C6 | C7 | C8 | H81 | 35.4° | 60.0° |
| C6 | C7 | C8 | H82 | 84.5° | 59.9° |
| H61 | C6 | C7 | C8 | 54.9° | 60.0° |
| H61 | C6 | C7 | H71 | 175.2° | 180.0° |
| H61 | C6 | C7 | H72 | 65.1° | 60.0° |
| H62 | C6 | C7 | C8 | 65.6° | 59.9° |
| H62 | C6 | C7 | H71 | 54.7° | 60.1° |
| H62 | C6 | C7 | H72 | 174.4° | 180.0° |
| C8 | C7 | H71 | H72 | 120.2° | 120.0° |
| C7 | C8 | C9 | H81 | 120.1° | 119.9° |
| C7 | C8 | C9 | H82 | 120.0° | 120.0° |
| C7 | C8 | H81 | H82 | 120.0° | 120.0° |
| C7 | C8 | C9 | C10 | 163.8° | 180.0° |
| C7 | C8 | C9 | H91 | 77.0° | 60.1° |
| C7 | C8 | C9 | H92 | 43.9° | 60.0° |
| H71 | C7 | C8 | C9 | 84.3° | 60.1° |
| H71 | C7 | C8 | H81 | 155.7° | 180.0° |
| H71 | C7 | C8 | H82 | 35.7° | 60.0° |
| H72 | C7 | C8 | C9 | 35.5° | 59.9° |
| H72 | C7 | C8 | H81 | 84.6° | 60.0° |
| H72 | C7 | C8 | H82 | 155.5° | 180.0° |
| C9 | C8 | H81 | H82 | 120.0° | 120.1° |
| C8 | C9 | C10 | H91 | 119.2° | 120.0° |
| C8 | C9 | C10 | H92 | 120.0° | 120.1° |
| C8 | C9 | H91 | H92 | 119.5° | 120.1° |
| C8 | C9 | C10 | C11 | 128.3° | 180.0° |
| C8 | C9 | C10 | H101 | 8.0° | 60.1° |
| C8 | C9 | C10 | H102 | 111.7° | 59.9° |
| H81 | C8 | C9 | C10 | 43.8° | 60.1° |
| H81 | C8 | C9 | H91 | 163.0° | 180.0° |
| H81 | C8 | C9 | H92 | 76.2° | 60.0° |
| H82 | C8 | C9 | C10 | 76.1° | 60.0° |
| H82 | C8 | C9 | H91 | 43.0° | 60.0° |
| H82 | C8 | C9 | H92 | 163.9° | 180.0° |
| C10 | C9 | H91 | H92 | 119.5° | 119.9° |
| C9 | C10 | C11 | H101 | 120.3° | 120.0° |
| C9 | C10 | C11 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H102 | 120.2° | 120.0° |
| C9 | C10 | C11 | C12 | 179.9° | 180.0° |
| C9 | C10 | C11 | H111 | 58.5° | 60.0° |
| C9 | C10 | C11 | H112 | 60.1° | 60.0° |
| H91 | C9 | C10 | C11 | 112.5° | 60.0° |
| H91 | C9 | C10 | H101 | 127.2° | 180.0° |
| H91 | C9 | C10 | H102 | 7.5° | 60.0° |
| H92 | C9 | C10 | C11 | 8.3° | 59.9° |
| H92 | C9 | C10 | H101 | 112.0° | 60.0° |
| H92 | C9 | C10 | H102 | 128.3° | 180.0° |
| C11 | C10 | H101 | H102 | 120.2° | 120.0° |
| C10 | C11 | C12 | H111 | 121.4° | 120.0° |
| C10 | C11 | C12 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H112 | 121.0° | 120.0° |
| C10 | C11 | C12 | O13 | 175.8° | 180.0° |
| C10 | C11 | C12 | H121 | 60.4° | 60.0° |
| C10 | C11 | C12 | H122 | 64.2° | 60.0° |
| H101 | C10 | C11 | C12 | 59.8° | 60.0° |
| H101 | C10 | C11 | H111 | 178.8° | 180.0° |
| H101 | C10 | C11 | H112 | 60.2° | 60.0° |
| H102 | C10 | C11 | C12 | 59.9° | 60.0° |
| H102 | C10 | C11 | H111 | 61.5° | 60.0° |
| H102 | C10 | C11 | H112 | 179.9° | 180.0° |
| C12 | C11 | H111 | H112 | 121.0° | 120.0° |
| C11 | C12 | O13 | H121 | 115.3° | 120.1° |
| C11 | C12 | O13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 117.2° | 120.0° |
| C11 | C12 | O13 | C14 | 139.1° | 180.0° |
| H111 | C11 | C12 | O13 | 62.9° | 60.0° |
| H111 | C11 | C12 | H121 | 178.2° | 180.0° |
| H111 | C11 | C12 | H122 | 57.1° | 60.0° |
| H112 | C11 | C12 | O13 | 55.8° | 60.0° |
| H112 | C11 | C12 | H121 | 59.5° | 60.0° |
| H112 | C11 | C12 | H122 | 175.8° | 180.0° |
| O13 | C12 | H121 | H122 | 117.3° | 119.9° |
| C12 | O13 | C14 | C15 | 178.0° | 180.0° |
| C12 | O13 | C14 | H141 | 69.6° | 60.0° |
| C12 | O13 | C14 | H142 | 58.0° | 60.0° |
| H121 | C12 | O13 | C14 | 23.7° | 59.9° |
| H122 | C12 | O13 | C14 | 101.0° | 60.0° |
| O13 | C14 | C15 | H141 | 112.5° | 120.0° |
| O13 | C14 | C15 | H142 | 120.0° | 120.0° |
| O13 | C14 | H141 | H142 | 115.7° | 120.0° |
| O13 | C14 | C15 | O16 | 119.6° | 60.1° |
| O13 | C14 | C15 | H151 | 6.4° | 180.0° |
| O13 | C14 | C15 | H152 | 120.4° | 60.0° |
| C15 | C14 | H141 | H142 | 115.7° | 120.0° |
| C14 | C15 | O16 | H151 | 113.2° | 120.0° |
| C14 | C15 | O16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 116.1° | 120.1° |
| C14 | C15 | O16 | C17 | 77.4° | 180.0° |
| H141 | C14 | C15 | O16 | 127.9° | 59.9° |
| H141 | C14 | C15 | H151 | 118.9° | 60.0° |
| H141 | C14 | C15 | H152 | 7.9° | 180.0° |
| H142 | C14 | C15 | O16 | 0.4° | 180.0° |
| H142 | C14 | C15 | H151 | 113.6° | 60.0° |
| H142 | C14 | C15 | H152 | 119.6° | 60.0° |
| O16 | C15 | H151 | H152 | 116.1° | 120.0° |
| C15 | O16 | C17 | C18 | 92.8° | 179.9° |
| C15 | O16 | C17 | H171 | 21.7° | 60.0° |
| C15 | O16 | C17 | H172 | 147.2° | 59.9° |
| H151 | C15 | O16 | C17 | 35.8° | 60.0° |
| H152 | C15 | O16 | C17 | 162.5° | 60.0° |
| O16 | C17 | C18 | H171 | 114.5° | 120.0° |
| O16 | C17 | C18 | H172 | 120.0° | 120.0° |
| O16 | C17 | H171 | H172 | 116.8° | 119.9° |
| O16 | C17 | C18 | O19 | 175.2° | 60.0° |
| O16 | C17 | C18 | H181 | 70.8° | 180.0° |
| O16 | C17 | C18 | H182 | 55.2° | 60.0° |
| C18 | C17 | H171 | H172 | 116.8° | 120.1° |
| C17 | C18 | O19 | H181 | 114.1° | 119.9° |
| C17 | C18 | O19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 116.5° | 120.0° |
| C17 | C18 | O19 | C20 | 85.4° | 180.0° |
| H171 | C17 | C18 | O19 | 60.7° | 60.0° |
| H171 | C17 | C18 | H181 | 174.7° | 60.0° |
| H171 | C17 | C18 | H182 | 59.4° | 180.0° |
| H172 | C17 | C18 | O19 | 64.8° | 180.0° |
| H172 | C17 | C18 | H181 | 49.2° | 60.0° |
| H172 | C17 | C18 | H182 | 175.2° | 60.0° |
| O19 | C18 | H181 | H182 | 116.6° | 120.1° |
| C18 | O19 | C20 | C21 | 70.4° | 180.0° |
| C18 | O19 | C20 | H201 | 176.3° | 60.0° |
| C18 | O19 | C20 | H202 | 49.6° | 60.1° |
| H181 | C18 | O19 | C20 | 160.5° | 60.0° |
| H182 | C18 | O19 | C20 | 34.6° | 60.0° |
| O19 | C20 | C21 | H201 | 113.3° | 120.0° |
| O19 | C20 | C21 | H202 | 120.0° | 120.0° |
| O19 | C20 | H201 | H202 | 116.1° | 120.0° |
| O19 | C20 | C21 | O22 | 169.9° | 60.0° |
| O19 | C20 | C21 | H211 | 56.0° | 180.0° |
| O19 | C20 | C21 | H212 | 70.1° | 59.9° |
| C21 | C20 | H201 | H202 | 116.1° | 120.0° |
| C20 | C21 | O22 | H211 | 113.9° | 120.1° |
| C20 | C21 | O22 | H212 | 120.0° | 119.9° |
| C20 | C21 | H211 | H212 | 116.4° | 120.0° |
| C20 | C21 | O22 | C23 | 83.0° | 180.0° |
| H201 | C20 | C21 | O22 | 76.9° | 60.0° |
| H201 | C20 | C21 | H211 | 169.3° | 60.0° |
| H201 | C20 | C21 | H212 | 43.2° | 180.0° |
| H202 | C20 | C21 | O22 | 49.9° | 179.9° |
| H202 | C20 | C21 | H211 | 64.0° | 60.0° |
| H202 | C20 | C21 | H212 | 169.9° | 60.0° |
| O22 | C21 | H211 | H212 | 116.5° | 119.9° |
| C21 | O22 | C23 | C24 | 100.8° | 180.0° |
| C21 | O22 | C23 | H231 | 146.6° | 60.0° |
| C21 | O22 | C23 | H232 | 19.2° | 60.1° |
| H211 | C21 | O22 | C23 | 30.9° | 59.9° |
| H212 | C21 | O22 | C23 | 157.0° | 60.1° |
| O22 | C23 | C24 | H231 | 112.5° | 120.1° |
| O22 | C23 | C24 | H232 | 120.0° | 120.0° |
| O22 | C23 | H231 | H232 | 115.8° | 120.0° |
| O22 | C23 | C24 | O25 | 143.0° | 60.1° |
| O22 | C23 | C24 | H241 | 104.8° | 179.9° |
| O22 | C23 | C24 | H242 | 23.0° | 60.0° |
| C24 | C23 | H231 | H232 | 115.8° | 120.0° |
| C23 | C24 | O25 | H241 | 112.2° | 120.0° |
| C23 | C24 | O25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 115.5° | 120.0° |
| C23 | C24 | O25 | C26 | 79.4° | 180.0° |
| H231 | C23 | C24 | O25 | 30.5° | 60.0° |
| H231 | C23 | C24 | H241 | 142.7° | 60.0° |
| H231 | C23 | C24 | H242 | 89.5° | 179.9° |
| H232 | C23 | C24 | O25 | 97.0° | 180.0° |
| H232 | C23 | C24 | H241 | 15.2° | 60.0° |
| H232 | C23 | C24 | H242 | 143.0° | 60.0° |
| O25 | C24 | H241 | H242 | 115.6° | 120.1° |
| C24 | O25 | C26 | C27 | 175.6° | 180.0° |
| C24 | O25 | C26 | H261 | 70.3° | 60.0° |
| C24 | O25 | C26 | H262 | 55.6° | 60.0° |
| H241 | C24 | O25 | C26 | 168.5° | 60.0° |
| H242 | C24 | O25 | C26 | 40.6° | 60.0° |
| O25 | C26 | C27 | H261 | 114.1° | 120.1° |
| O25 | C26 | C27 | H262 | 120.0° | 120.0° |
| O25 | C26 | H261 | H262 | 116.6° | 120.0° |
| O25 | C26 | C27 | O28 | 21.0° | 60.1° |
| O25 | C26 | C27 | H271 | 132.9° | 180.0° |
| O25 | C26 | C27 | H272 | 99.0° | 59.9° |
| C27 | C26 | H261 | H262 | 116.6° | 119.9° |
| C26 | C27 | O28 | H271 | 112.0° | 120.0° |
| C26 | C27 | O28 | H272 | 120.0° | 120.0° |
| C26 | C27 | H271 | H272 | 115.5° | 120.1° |
| C26 | C27 | O28 | C29 | 178.5° | 180.0° |
| H261 | C26 | C27 | O28 | 93.2° | 60.0° |
| H261 | C26 | C27 | H271 | 18.8° | 59.9° |
| H261 | C26 | C27 | H272 | 146.9° | 180.0° |
| H262 | C26 | C27 | O28 | 141.0° | 180.0° |
| H262 | C26 | C27 | H271 | 107.1° | 60.0° |
| H262 | C26 | C27 | H272 | 21.0° | 60.0° |
| O28 | C27 | H271 | H272 | 115.5° | 120.0° |
| C27 | O28 | C29 | C30 | 167.3° | 180.0° |
| C27 | O28 | C29 | H291 | 53.3° | 60.0° |
| C27 | O28 | C29 | H292 | 72.7° | 59.9° |
| H271 | C27 | O28 | C29 | 66.5° | 60.0° |
| H272 | C27 | O28 | C29 | 61.6° | 60.0° |
| O28 | C29 | C30 | H291 | 113.9° | 120.0° |
| O28 | C29 | C30 | H292 | 120.0° | 120.1° |
| O28 | C29 | H291 | H292 | 116.5° | 120.0° |
| O28 | C29 | C30 | O31 | 122.1° | 60.0° |
| O28 | C29 | C30 | H301 | 124.1° | 180.0° |
| O28 | C29 | C30 | H302 | 2.1° | 60.0° |
| C30 | C29 | H291 | H292 | 116.5° | 120.0° |
| C29 | C30 | O31 | H301 | 113.8° | 120.0° |
| C29 | C30 | O31 | H302 | 120.0° | 119.9° |
| C29 | C30 | H301 | H302 | 116.4° | 119.9° |
| C29 | C30 | O31 | C32 | 168.3° | 180.0° |
| H291 | C29 | C30 | O31 | 8.1° | 60.0° |
| H291 | C29 | C30 | H301 | 121.9° | 60.0° |
| H291 | C29 | C30 | H302 | 111.9° | 180.0° |
| H292 | C29 | C30 | O31 | 117.9° | 179.9° |
| H292 | C29 | C30 | H301 | 4.1° | 59.9° |
| H292 | C29 | C30 | H302 | 122.1° | 60.1° |
| O31 | C30 | H301 | H302 | 116.4° | 120.1° |
| C30 | O31 | C32 | C33 | 126.5° | 180.0° |
| C30 | O31 | C32 | H321 | 12.5° | 60.0° |
| C30 | O31 | C32 | H322 | 113.4° | 60.0° |
| H301 | C30 | O31 | C32 | 77.9° | 60.0° |
| H302 | C30 | O31 | C32 | 48.3° | 60.1° |
| O31 | C32 | C33 | H321 | 114.0° | 120.1° |
| O31 | C32 | C33 | H322 | 120.0° | 120.0° |
| O31 | C32 | H321 | H322 | 116.5° | 120.0° |
| O31 | C32 | C33 | O34 | 173.8° | 60.0° |
| O31 | C32 | C33 | H331 | 73.5° | 180.0° |
| O31 | C32 | C33 | H332 | 53.8° | 60.0° |
| C33 | C32 | H321 | H322 | 116.5° | 120.0° |
| C32 | C33 | O34 | H331 | 112.7° | 120.0° |
| C32 | C33 | O34 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | H332 | 115.9° | 120.0° |
| C32 | C33 | O34 | C35 | 138.3° | 180.0° |
| H321 | C32 | C33 | O34 | 59.8° | 60.0° |
| H321 | C32 | C33 | H331 | 172.5° | 59.9° |
| H321 | C32 | C33 | H332 | 60.2° | 180.0° |
| H322 | C32 | C33 | O34 | 66.1° | 180.0° |
| H322 | C32 | C33 | H331 | 46.5° | 60.0° |
| H322 | C32 | C33 | H332 | 173.9° | 60.0° |
| O34 | C33 | H331 | H332 | 115.8° | 120.0° |
| C33 | O34 | C35 | C36 | 112.0° | 180.0° |
| C33 | O34 | C35 | H351 | 1.7° | 60.0° |
| C33 | O34 | C35 | H352 | 128.0° | 60.0° |
| H331 | C33 | O34 | C35 | 25.6° | 60.0° |
| H332 | C33 | O34 | C35 | 101.7° | 60.0° |
| O34 | C35 | C36 | H351 | 113.7° | 120.1° |
| O34 | C35 | C36 | H352 | 120.0° | 120.0° |
| O34 | C35 | H351 | H352 | 116.4° | 120.0° |
| O34 | C35 | C36 | O37 | 139.5° | 60.0° |
| O34 | C35 | C36 | H361 | 23.7° | 180.0° |
| O34 | C35 | C36 | H362 | 100.5° | 59.9° |
| C36 | C35 | H351 | H352 | 116.3° | 119.9° |
| C35 | C36 | O37 | H361 | 115.8° | 120.0° |
| C35 | C36 | O37 | H362 | 120.0° | 120.0° |
| C35 | C36 | H361 | H362 | 117.5° | 120.0° |
| C35 | C36 | O37 | H37 | 176.5° | 180.0° |
| H351 | C35 | C36 | O37 | 106.8° | 60.1° |
| H351 | C35 | C36 | H361 | 137.4° | 60.0° |
| H351 | C35 | C36 | H362 | 13.2° | 180.0° |
| H352 | C35 | C36 | O37 | 19.5° | 180.0° |
| H352 | C35 | C36 | H361 | 96.3° | 60.0° |
| H352 | C35 | C36 | H362 | 139.5° | 60.0° |
| O37 | C36 | H361 | H362 | 117.5° | 120.0° |
| H361 | C36 | O37 | H37 | 60.6° | 59.9° |
| H362 | C36 | O37 | H37 | 63.5° | 60.0° |
