CE9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.52Å | 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 | 1.48Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.10Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.46Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.47Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| C5 | C6 | sing | 1.53Å | 1.48Å | |
| C5 | H51 | sing | 1.10Å | 1.10Å | |
| C5 | H52 | sing | 1.10Å | 1.10Å | |
| C6 | C7 | sing | 1.53Å | 1.47Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C7 | C8 | sing | 1.53Å | 1.46Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.10Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.49Å | |
| C9 | H91 | sing | 1.10Å | 1.10Å | |
| C9 | H92 | sing | 1.10Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.48Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C11 | C12 | sing | 1.52Å | 1.48Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C12 | O13 | sing | 1.42Å | 1.46Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| O13 | C14 | sing | 1.42Å | 1.47Å | |
| C14 | C15 | sing | 1.52Å | 1.58Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | sing | 1.42Å | 1.48Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O16 | C17 | sing | 1.42Å | 1.44Å | |
| C17 | C18 | sing | 1.52Å | 1.55Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | O19 | sing | 1.42Å | 1.44Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| O19 | C20 | sing | 1.42Å | 1.46Å | |
| C20 | C21 | sing | 1.52Å | 1.53Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | O22 | sing | 1.42Å | 1.42Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| O22 | C23 | sing | 1.42Å | 1.42Å | |
| C23 | C24 | sing | 1.52Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | O25 | sing | 1.42Å | 1.44Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| O25 | C26 | sing | 1.42Å | 1.46Å | |
| C26 | C27 | sing | 1.52Å | 1.53Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | O28 | sing | 1.42Å | 1.46Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| O28 | C29 | sing | 1.42Å | 1.47Å | |
| C29 | C30 | sing | 1.52Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | O31 | sing | 1.42Å | 1.45Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| O31 | C32 | sing | 1.42Å | 1.46Å | |
| C32 | C33 | sing | 1.52Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | O34 | sing | 1.42Å | 1.46Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| O34 | C35 | sing | 1.42Å | 1.48Å | |
| C35 | C36 | sing | 1.52Å | 1.61Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | O37 | sing | 1.42Å | 1.49Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| O37 | C38 | sing | 1.42Å | 77.84Å | |
| C38 | C39 | sing | 1.52Å | 0.00Å | |
| C38 | H381 | sing | 1.09Å | 0.00Å | |
| C38 | H382 | sing | 1.09Å | 0.00Å | |
| C39 | OXT | sing | 1.42Å | 0.00Å | |
| C39 | H391 | sing | 1.09Å | 0.00Å | |
| C39 | H392 | sing | 1.09Å | 0.00Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.5° | 111.0° |
| C2 | C1 | H12 | 109.5° | 110.3° |
| C2 | C1 | H13 | 109.5° | 111.0° |
| C1 | C2 | C3 | 123.6° | 111.4° |
| C1 | C2 | H21 | 105.0° | 108.5° |
| C1 | C2 | H22 | 101.7° | 109.1° |
| H11 | C1 | H12 | 109.5° | 108.1° |
| H11 | C1 | H13 | 109.5° | 108.3° |
| H12 | C1 | H13 | 109.5° | 108.1° |
| C3 | C2 | H21 | 105.0° | 110.4° |
| C3 | C2 | H22 | 101.7° | 109.9° |
| C2 | C3 | C4 | 110.4° | 113.5° |
| C2 | C3 | H31 | 109.2° | 109.8° |
| C2 | C3 | H32 | 109.0° | 108.9° |
| H21 | C2 | H22 | 121.4° | 107.4° |
| C4 | C3 | H31 | 109.2° | 109.6° |
| C4 | C3 | H32 | 109.0° | 108.0° |
| C3 | C4 | C5 | 112.2° | 113.4° |
| C3 | C4 | H41 | 108.6° | 107.5° |
| C3 | C4 | H42 | 108.0° | 109.6° |
| H31 | C3 | H32 | 110.2° | 106.7° |
| C5 | C4 | H41 | 108.6° | 109.5° |
| C5 | C4 | H42 | 108.0° | 109.8° |
| C4 | C5 | C6 | 109.6° | 113.4° |
| C4 | C5 | H51 | 109.5° | 109.8° |
| C4 | C5 | H52 | 109.4° | 109.6° |
| H41 | C4 | H42 | 111.6° | 106.9° |
| C6 | C5 | H51 | 109.4° | 110.1° |
| C6 | C5 | H52 | 109.4° | 107.4° |
| C5 | C6 | C7 | 110.2° | 115.9° |
| C5 | C6 | H61 | 109.3° | 108.9° |
| C5 | C6 | H62 | 109.1° | 108.3° |
| H51 | C5 | H52 | 109.5° | 106.3° |
| C7 | C6 | H61 | 109.2° | 108.4° |
| C7 | C6 | H62 | 109.1° | 108.8° |
| C6 | C7 | C8 | 109.2° | 113.3° |
| C6 | C7 | H71 | 109.5° | 109.5° |
| C6 | C7 | H72 | 109.6° | 107.9° |
| H61 | C6 | H62 | 110.0° | 106.2° |
| C8 | C7 | H71 | 109.6° | 110.4° |
| C8 | C7 | H72 | 109.6° | 109.0° |
| C7 | C8 | C9 | 109.0° | 113.3° |
| C7 | C8 | H81 | 109.6° | 109.1° |
| C7 | C8 | H82 | 109.7° | 110.2° |
| H71 | C7 | H72 | 109.3° | 106.4° |
| C9 | C8 | H81 | 109.6° | 108.2° |
| C9 | C8 | H82 | 109.7° | 109.0° |
| C8 | C9 | C10 | 111.6° | 113.3° |
| C8 | C9 | H91 | 108.8° | 108.1° |
| C8 | C9 | H92 | 108.3° | 109.6° |
| H81 | C8 | H82 | 109.1° | 106.9° |
| C10 | C9 | H91 | 108.8° | 109.1° |
| C10 | C9 | H92 | 108.3° | 109.8° |
| C9 | C10 | C11 | 110.2° | 111.2° |
| C9 | C10 | H101 | 109.2° | 109.6° |
| C9 | C10 | H102 | 109.1° | 109.9° |
| H91 | C9 | H92 | 111.1° | 106.7° |
| C11 | C10 | H101 | 109.2° | 109.5° |
| C11 | C10 | H102 | 109.1° | 109.4° |
| C10 | C11 | C12 | 98.4° | 112.3° |
| C10 | C11 | H111 | 113.3° | 108.8° |
| C10 | C11 | H112 | 115.6° | 109.7° |
| H101 | C10 | H102 | 110.0° | 107.2° |
| C12 | C11 | H111 | 113.3° | 109.3° |
| C12 | C11 | H112 | 115.5° | 109.0° |
| C11 | C12 | O13 | 120.8° | 109.9° |
| C11 | C12 | H121 | 105.9° | 110.0° |
| C11 | C12 | H122 | 103.2° | 111.0° |
| H111 | C11 | H112 | 101.3° | 107.7° |
| O13 | C12 | H121 | 105.8° | 108.3° |
| O13 | C12 | H122 | 103.2° | 108.8° |
| C12 | O13 | C14 | 116.5° | 111.6° |
| H121 | C12 | H122 | 118.9° | 108.8° |
| O13 | C14 | C15 | 127.4° | 109.1° |
| O13 | C14 | H141 | 103.9° | 108.2° |
| O13 | C14 | H142 | 99.7° | 108.3° |
| C15 | C14 | H141 | 103.9° | 111.1° |
| C15 | C14 | H142 | 99.7° | 110.5° |
| C14 | C15 | O16 | 129.1° | 109.0° |
| C14 | C15 | H151 | 103.4° | 111.1° |
| C14 | C15 | H152 | 98.8° | 110.5° |
| H141 | C14 | H142 | 124.8° | 109.7° |
| O16 | C15 | H151 | 103.4° | 108.1° |
| O16 | C15 | H152 | 98.8° | 108.3° |
| C15 | O16 | C17 | 115.8° | 111.5° |
| H151 | C15 | H152 | 126.6° | 109.7° |
| O16 | C17 | C18 | 126.9° | 109.0° |
| O16 | C17 | H171 | 104.0° | 108.1° |
| O16 | C17 | H172 | 100.0° | 108.2° |
| C18 | C17 | H171 | 104.0° | 111.2° |
| C18 | C17 | H172 | 100.0° | 110.5° |
| C17 | C18 | O19 | 126.0° | 109.1° |
| C17 | C18 | H181 | 104.3° | 111.1° |
| C17 | C18 | H182 | 100.4° | 110.5° |
| H171 | C17 | H172 | 124.4° | 109.7° |
| O19 | C18 | H181 | 104.3° | 108.2° |
| O19 | C18 | H182 | 100.4° | 108.3° |
| C18 | O19 | C20 | 115.3° | 111.5° |
| H181 | C18 | H182 | 123.6° | 109.7° |
| O19 | C20 | C21 | 125.9° | 109.0° |
| O19 | C20 | H201 | 104.3° | 108.2° |
| O19 | C20 | H202 | 100.4° | 108.3° |
| C21 | C20 | H201 | 104.3° | 111.1° |
| C21 | C20 | H202 | 100.5° | 110.4° |
| C20 | C21 | O22 | 127.9° | 109.1° |
| C20 | C21 | H211 | 103.7° | 111.2° |
| C20 | C21 | H212 | 99.4° | 110.5° |
| H201 | C20 | H202 | 123.6° | 109.7° |
| O22 | C21 | H211 | 103.8° | 108.1° |
| O22 | C21 | H212 | 99.4° | 108.3° |
| C21 | O22 | C23 | 111.5° | 111.5° |
| H211 | C21 | H212 | 125.4° | 109.6° |
| O22 | C23 | C24 | 128.4° | 109.1° |
| O22 | C23 | H231 | 103.6° | 108.2° |
| O22 | C23 | H232 | 99.2° | 108.3° |
| C24 | C23 | H231 | 103.6° | 111.1° |
| C24 | C23 | H232 | 99.2° | 110.5° |
| C23 | C24 | O25 | 126.3° | 109.1° |
| C23 | C24 | H241 | 104.2° | 111.2° |
| C23 | C24 | H242 | 100.2° | 110.5° |
| H231 | C23 | H232 | 125.8° | 109.7° |
| O25 | C24 | H241 | 104.2° | 108.1° |
| O25 | C24 | H242 | 100.2° | 108.2° |
| C24 | O25 | C26 | 113.7° | 111.5° |
| H241 | C24 | H242 | 123.9° | 109.7° |
| O25 | C26 | C27 | 128.6° | 109.1° |
| O25 | C26 | H261 | 103.5° | 108.1° |
| O25 | C26 | H262 | 99.1° | 108.2° |
| C27 | C26 | H261 | 103.5° | 111.2° |
| C27 | C26 | H262 | 99.1° | 110.5° |
| C26 | C27 | O28 | 128.9° | 109.0° |
| C26 | C27 | H271 | 103.5° | 111.2° |
| C26 | C27 | H272 | 98.9° | 110.5° |
| H261 | C26 | H262 | 126.0° | 109.7° |
| O28 | C27 | H271 | 103.4° | 108.1° |
| O28 | C27 | H272 | 98.9° | 108.2° |
| C27 | O28 | C29 | 113.0° | 111.5° |
| H271 | C27 | H272 | 126.4° | 109.7° |
| O28 | C29 | C30 | 130.9° | 109.0° |
| O28 | C29 | H291 | 102.9° | 108.1° |
| O28 | C29 | H292 | 97.9° | 108.3° |
| C30 | C29 | H291 | 102.9° | 111.1° |
| C30 | C29 | H292 | 97.9° | 110.5° |
| C29 | C30 | O31 | 127.0° | 109.0° |
| C29 | C30 | H301 | 104.0° | 111.1° |
| C29 | C30 | H302 | 99.9° | 110.5° |
| H291 | C29 | H292 | 128.3° | 109.7° |
| O31 | C30 | H301 | 104.0° | 108.2° |
| O31 | C30 | H302 | 99.9° | 108.2° |
| C30 | O31 | C32 | 117.0° | 111.5° |
| H301 | C30 | H302 | 124.5° | 109.7° |
| O31 | C32 | C33 | 126.5° | 109.0° |
| O31 | C32 | H321 | 104.1° | 108.2° |
| O31 | C32 | H322 | 100.2° | 108.3° |
| C33 | C32 | H321 | 104.2° | 111.1° |
| C33 | C32 | H322 | 100.1° | 110.4° |
| C32 | C33 | O34 | 126.9° | 109.1° |
| C32 | C33 | H331 | 104.0° | 111.1° |
| C32 | C33 | H332 | 100.0° | 110.4° |
| H321 | C32 | H322 | 124.1° | 109.7° |
| O34 | C33 | H331 | 104.0° | 108.2° |
| O34 | C33 | H332 | 100.0° | 108.3° |
| C33 | O34 | C35 | 116.4° | 111.5° |
| H331 | C33 | H332 | 124.4° | 109.7° |
| O34 | C35 | C36 | 125.3° | 109.0° |
| O34 | C35 | H351 | 104.5° | 108.1° |
| O34 | C35 | H352 | 100.8° | 108.2° |
| C36 | C35 | H351 | 104.5° | 111.1° |
| C36 | C35 | H352 | 100.8° | 110.5° |
| C35 | C36 | O37 | 114.1° | 109.0° |
| C35 | C36 | H361 | 108.0° | 111.1° |
| C35 | C36 | H362 | 106.9° | 110.5° |
| H351 | C35 | H352 | 122.9° | 109.7° |
| O37 | C36 | H361 | 107.9° | 108.2° |
| O37 | C36 | H362 | 106.9° | 108.3° |
| C36 | O37 | C38 | 41.4° | 111.5° |
| H361 | C36 | H362 | 113.2° | 109.8° |
| O37 | C38 | C39 | 90.0° | 109.0° |
| O37 | C38 | H381 | 90.0° | 108.1° |
| O37 | C38 | H382 | 90.0° | 108.2° |
| C39 | C38 | H381 | 90.0° | 111.2° |
| C39 | C38 | H382 | 90.0° | 110.5° |
| C38 | C39 | OXT | 90.0° | 109.0° |
| C38 | C39 | H391 | 90.0° | 111.1° |
| C38 | C39 | H392 | 90.0° | 110.5° |
| H381 | C38 | H382 | 90.0° | 109.7° |
| OXT | C39 | H391 | 90.0° | 108.1° |
| OXT | C39 | H392 | 90.0° | 108.3° |
| C39 | OXT | HXT | 90.0° | 106.7° |
| H391 | C39 | H392 | 90.0° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 121.0° |
| C2 | C1 | H11 | H13 | 120.0° | 122.1° |
| C2 | C1 | H12 | H13 | 120.0° | 121.5° |
| C1 | C2 | C3 | H21 | 120.0° | 120.7° |
| C1 | C2 | C3 | H22 | 112.7° | 121.0° |
| C1 | C2 | H21 | H22 | 114.1° | 117.8° |
| C1 | C2 | C3 | C4 | 154.4° | 176.9° |
| C1 | C2 | C3 | H31 | 85.6° | 60.0° |
| C1 | C2 | C3 | H32 | 34.7° | 56.5° |
| H11 | C1 | H12 | H13 | 120.0° | 117.1° |
| H11 | C1 | C2 | C3 | 120.9° | 60.4° |
| H11 | C1 | C2 | H21 | 119.1° | 177.8° |
| H11 | C1 | C2 | H22 | 8.2° | 61.1° |
| H12 | C1 | C2 | C3 | 119.1° | 179.8° |
| H12 | C1 | C2 | H21 | 0.9° | 58.1° |
| H12 | C1 | C2 | H22 | 128.1° | 58.6° |
| H13 | C1 | C2 | C3 | 0.9° | 60.1° |
| H13 | C1 | C2 | H21 | 120.9° | 61.7° |
| H13 | C1 | C2 | H22 | 111.8° | 178.4° |
| C3 | C2 | H21 | H22 | 114.2° | 119.9° |
| C2 | C3 | C4 | H31 | 120.0° | 123.3° |
| C2 | C3 | C4 | H32 | 119.6° | 120.9° |
| C2 | C3 | H31 | H32 | 119.6° | 117.9° |
| C2 | C3 | C4 | C5 | 139.0° | 178.9° |
| C2 | C3 | C4 | H41 | 19.0° | 60.0° |
| C2 | C3 | C4 | H42 | 102.2° | 55.8° |
| H21 | C2 | C3 | C4 | 34.3° | 62.5° |
| H21 | C2 | C3 | H31 | 154.4° | 60.7° |
| H21 | C2 | C3 | H32 | 85.3° | 177.2° |
| H22 | C2 | C3 | C4 | 93.0° | 55.8° |
| H22 | C2 | C3 | H31 | 27.1° | 179.0° |
| H22 | C2 | C3 | H32 | 147.4° | 64.5° |
| C4 | C3 | H31 | H32 | 119.6° | 116.7° |
| C3 | C4 | C5 | H41 | 120.0° | 120.0° |
| C3 | C4 | C5 | H42 | 118.9° | 123.0° |
| C3 | C4 | H41 | H42 | 118.9° | 117.6° |
| C3 | C4 | C5 | C6 | 131.0° | 176.3° |
| C3 | C4 | C5 | H51 | 109.0° | 60.1° |
| C3 | C4 | C5 | H52 | 11.0° | 56.4° |
| H31 | C3 | C4 | C5 | 101.0° | 55.6° |
| H31 | C3 | C4 | H41 | 139.0° | 176.8° |
| H31 | C3 | C4 | H42 | 17.9° | 67.4° |
| H32 | C3 | C4 | C5 | 19.4° | 60.2° |
| H32 | C3 | C4 | H41 | 100.6° | 60.9° |
| H32 | C3 | C4 | H42 | 138.2° | 176.7° |
| C5 | C4 | H41 | H42 | 118.9° | 118.9° |
| C4 | C5 | C6 | H51 | 120.0° | 123.5° |
| C4 | C5 | C6 | H52 | 120.0° | 121.2° |
| C4 | C5 | H51 | H52 | 120.0° | 118.5° |
| C4 | C5 | C6 | C7 | 167.7° | 177.5° |
| C4 | C5 | C6 | H61 | 47.8° | 60.0° |
| C4 | C5 | C6 | H62 | 72.5° | 55.1° |
| H41 | C4 | C5 | C6 | 11.0° | 63.7° |
| H41 | C4 | C5 | H51 | 131.0° | 59.9° |
| H41 | C4 | C5 | H52 | 109.0° | 176.4° |
| H42 | C4 | C5 | C6 | 110.2° | 53.4° |
| H42 | C4 | C5 | H51 | 9.8° | 177.0° |
| H42 | C4 | C5 | H52 | 129.8° | 66.6° |
| C6 | C5 | H51 | H52 | 119.9° | 116.0° |
| C5 | C6 | C7 | H61 | 120.0° | 122.7° |
| C5 | C6 | C7 | H62 | 119.7° | 122.2° |
| C5 | C6 | H61 | H62 | 119.8° | 116.4° |
| C5 | C6 | C7 | C8 | 179.6° | 176.2° |
| C5 | C6 | C7 | H71 | 60.4° | 60.0° |
| C5 | C6 | C7 | H72 | 59.5° | 55.4° |
| H51 | C5 | C6 | C7 | 72.2° | 59.0° |
| H51 | C5 | C6 | H61 | 167.8° | 63.5° |
| H51 | C5 | C6 | H62 | 47.5° | 178.5° |
| H52 | C5 | C6 | C7 | 47.8° | 56.4° |
| H52 | C5 | C6 | H61 | 72.2° | 178.8° |
| H52 | C5 | C6 | H62 | 167.5° | 66.1° |
| C7 | C6 | H61 | H62 | 119.7° | 116.7° |
| C6 | C7 | C8 | H71 | 120.0° | 123.3° |
| C6 | C7 | C8 | H72 | 120.1° | 120.2° |
| C6 | C7 | H71 | H72 | 120.1° | 116.4° |
| C6 | C7 | C8 | C9 | 105.9° | 179.5° |
| C6 | C7 | C8 | H81 | 134.1° | 60.0° |
| C6 | C7 | C8 | H82 | 14.3° | 57.1° |
| H61 | C6 | C7 | C8 | 59.6° | 53.5° |
| H61 | C6 | C7 | H71 | 179.6° | 177.3° |
| H61 | C6 | C7 | H72 | 60.5° | 67.3° |
| H62 | C6 | C7 | C8 | 60.6° | 61.5° |
| H62 | C6 | C7 | H71 | 59.4° | 62.2° |
| H62 | C6 | C7 | H72 | 179.3° | 177.6° |
| C8 | C7 | H71 | H72 | 120.1° | 118.2° |
| C7 | C8 | C9 | H81 | 120.0° | 121.1° |
| C7 | C8 | C9 | H82 | 120.2° | 123.0° |
| C7 | C8 | H81 | H82 | 120.2° | 119.1° |
| C7 | C8 | C9 | C10 | 91.5° | 179.0° |
| C7 | C8 | C9 | H91 | 148.5° | 60.0° |
| C7 | C8 | C9 | H92 | 27.6° | 56.0° |
| H71 | C7 | C8 | C9 | 14.1° | 56.2° |
| H71 | C7 | C8 | H81 | 105.9° | 176.8° |
| H71 | C7 | C8 | H82 | 134.3° | 66.2° |
| H72 | C7 | C8 | C9 | 134.0° | 60.3° |
| H72 | C7 | C8 | H81 | 14.0° | 60.2° |
| H72 | C7 | C8 | H82 | 105.8° | 177.3° |
| C9 | C8 | H81 | H82 | 120.2° | 117.3° |
| C8 | C9 | C10 | H91 | 120.0° | 120.5° |
| C8 | C9 | C10 | H92 | 119.1° | 122.9° |
| C8 | C9 | H91 | H92 | 119.1° | 117.9° |
| C8 | C9 | C10 | C11 | 166.8° | 178.9° |
| C8 | C9 | C10 | H101 | 73.2° | 60.0° |
| C8 | C9 | C10 | H102 | 47.1° | 57.6° |
| H81 | C8 | C9 | C10 | 28.5° | 60.0° |
| H81 | C8 | C9 | H91 | 91.5° | 61.0° |
| H81 | C8 | C9 | H92 | 147.6° | 177.0° |
| H82 | C8 | C9 | C10 | 148.3° | 55.9° |
| H82 | C8 | C9 | H91 | 28.3° | 176.9° |
| H82 | C8 | C9 | H92 | 92.6° | 67.1° |
| C10 | C9 | H91 | H92 | 119.1° | 118.5° |
| C9 | C10 | C11 | H101 | 120.0° | 121.2° |
| C9 | C10 | C11 | H102 | 119.7° | 121.5° |
| C9 | C10 | H101 | H102 | 119.7° | 119.2° |
| C9 | C10 | C11 | C12 | 175.8° | 178.9° |
| C9 | C10 | C11 | H111 | 55.8° | 60.0° |
| C9 | C10 | C11 | H112 | 60.5° | 57.6° |
| H91 | C9 | C10 | C11 | 46.8° | 60.7° |
| H91 | C9 | C10 | H101 | 166.8° | 60.5° |
| H91 | C9 | C10 | H102 | 72.9° | 178.1° |
| H92 | C9 | C10 | C11 | 74.0° | 55.9° |
| H92 | C9 | C10 | H101 | 46.0° | 177.1° |
| H92 | C9 | C10 | H102 | 166.3° | 65.3° |
| C11 | C10 | H101 | H102 | 119.7° | 118.6° |
| C10 | C11 | C12 | H111 | 120.0° | 120.8° |
| C10 | C11 | C12 | H112 | 123.7° | 121.7° |
| C10 | C11 | H111 | H112 | 124.5° | 118.8° |
| C10 | C11 | C12 | O13 | 174.9° | 60.8° |
| C10 | C11 | C12 | H121 | 65.1° | 180.0° |
| C10 | C11 | C12 | H122 | 60.5° | 59.6° |
| H101 | C10 | C11 | C12 | 64.2° | 57.7° |
| H101 | C10 | C11 | H111 | 175.8° | 178.8° |
| H101 | C10 | C11 | H112 | 59.4° | 63.7° |
| H102 | C10 | C11 | C12 | 56.1° | 59.5° |
| H102 | C10 | C11 | H111 | 63.9° | 61.6° |
| H102 | C10 | C11 | H112 | 179.7° | 179.1° |
| C12 | C11 | H111 | H112 | 124.4° | 118.3° |
| C11 | C12 | O13 | H121 | 120.0° | 120.2° |
| C11 | C12 | O13 | H122 | 114.4° | 121.7° |
| C11 | C12 | H121 | H122 | 115.3° | 121.8° |
| C11 | C12 | O13 | C14 | 78.9° | 180.0° |
| H111 | C11 | C12 | O13 | 54.9° | 60.0° |
| H111 | C11 | C12 | H121 | 174.8° | 59.1° |
| H111 | C11 | C12 | H122 | 59.5° | 179.6° |
| H112 | C11 | C12 | O13 | 61.4° | 177.4° |
| H112 | C11 | C12 | H121 | 58.6° | 58.3° |
| H112 | C11 | C12 | H122 | 175.8° | 62.1° |
| O13 | C12 | H121 | H122 | 115.3° | 118.0° |
| C12 | O13 | C14 | C15 | 179.0° | 179.0° |
| C12 | O13 | C14 | H141 | 59.0° | 60.0° |
| C12 | O13 | C14 | H142 | 70.7° | 58.7° |
| H121 | C12 | O13 | C14 | 41.1° | 59.8° |
| H122 | C12 | O13 | C14 | 166.7° | 58.3° |
| O13 | C14 | C15 | H141 | 120.0° | 119.1° |
| O13 | C14 | C15 | H142 | 110.2° | 118.9° |
| O13 | C14 | H141 | H142 | 112.5° | 117.9° |
| O13 | C14 | C15 | O16 | 94.3° | 59.1° |
| O13 | C14 | C15 | H151 | 25.7° | 60.0° |
| O13 | C14 | C15 | H152 | 156.8° | 178.0° |
| C15 | C14 | H141 | H142 | 112.6° | 122.4° |
| C14 | C15 | O16 | H151 | 120.0° | 120.9° |
| C14 | C15 | O16 | H152 | 108.9° | 120.3° |
| C14 | C15 | H151 | H152 | 111.8° | 122.4° |
| C14 | C15 | O16 | C17 | 17.2° | 180.0° |
| H141 | C14 | C15 | O16 | 145.7° | 60.1° |
| H141 | C14 | C15 | H151 | 94.3° | 179.2° |
| H141 | C14 | C15 | H152 | 36.8° | 58.9° |
| H142 | C14 | C15 | O16 | 16.0° | 178.0° |
| H142 | C14 | C15 | H151 | 135.9° | 58.9° |
| H142 | C14 | C15 | H152 | 93.0° | 63.1° |
| O16 | C15 | H151 | H152 | 111.8° | 117.9° |
| C15 | O16 | C17 | C18 | 77.3° | 179.0° |
| C15 | O16 | C17 | H171 | 162.7° | 60.0° |
| C15 | O16 | C17 | H172 | 33.2° | 58.8° |
| H151 | C15 | O16 | C17 | 102.8° | 59.1° |
| H152 | C15 | O16 | C17 | 126.1° | 59.7° |
| O16 | C17 | C18 | H171 | 120.0° | 119.1° |
| O16 | C17 | C18 | H172 | 110.6° | 118.8° |
| O16 | C17 | H171 | H172 | 112.8° | 117.8° |
| O16 | C17 | C18 | O19 | 177.2° | 60.8° |
| O16 | C17 | C18 | H181 | 57.2° | 180.0° |
| O16 | C17 | C18 | H182 | 71.7° | 58.1° |
| C18 | C17 | H171 | H172 | 112.8° | 122.5° |
| C17 | C18 | O19 | H181 | 120.0° | 121.0° |
| C17 | C18 | O19 | H182 | 111.1° | 120.3° |
| C17 | C18 | H181 | H182 | 113.2° | 122.4° |
| C17 | C18 | O19 | C20 | 48.6° | 180.0° |
| H171 | C17 | C18 | O19 | 62.8° | 180.0° |
| H171 | C17 | C18 | H181 | 177.2° | 60.9° |
| H171 | C17 | C18 | H182 | 48.3° | 61.1° |
| H172 | C17 | C18 | O19 | 66.6° | 58.0° |
| H172 | C17 | C18 | H181 | 53.4° | 61.2° |
| H172 | C17 | C18 | H182 | 177.7° | 176.9° |
| O19 | C18 | H181 | H182 | 113.1° | 117.9° |
| C18 | O19 | C20 | C21 | 76.5° | 179.0° |
| C18 | O19 | C20 | H201 | 163.5° | 60.0° |
| C18 | O19 | C20 | H202 | 34.7° | 58.8° |
| H181 | C18 | O19 | C20 | 71.4° | 59.0° |
| H182 | C18 | O19 | C20 | 159.8° | 59.7° |
| O19 | C20 | C21 | H201 | 120.0° | 119.2° |
| O19 | C20 | C21 | H202 | 111.2° | 118.8° |
| O19 | C20 | H201 | H202 | 113.2° | 117.9° |
| O19 | C20 | C21 | O22 | 179.1° | 60.9° |
| O19 | C20 | C21 | H211 | 60.9° | 180.0° |
| O19 | C20 | C21 | H212 | 69.3° | 58.1° |
| C21 | C20 | H201 | H202 | 113.2° | 122.4° |
| C20 | C21 | O22 | H211 | 120.0° | 121.0° |
| C20 | C21 | O22 | H212 | 109.8° | 120.3° |
| C20 | C21 | H211 | H212 | 112.3° | 122.4° |
| C20 | C21 | O22 | C23 | 171.9° | 180.0° |
| H201 | C20 | C21 | O22 | 59.1° | 180.0° |
| H201 | C20 | C21 | H211 | 179.1° | 60.8° |
| H201 | C20 | C21 | H212 | 50.7° | 61.1° |
| H202 | C20 | C21 | O22 | 69.7° | 58.0° |
| H202 | C20 | C21 | H211 | 50.3° | 61.2° |
| H202 | C20 | C21 | H212 | 179.6° | 176.9° |
| O22 | C21 | H211 | H212 | 112.4° | 117.8° |
| C21 | O22 | C23 | C24 | 168.1° | 179.1° |
| C21 | O22 | C23 | H231 | 71.9° | 60.0° |
| C21 | O22 | C23 | H232 | 58.6° | 58.8° |
| H211 | C21 | O22 | C23 | 68.1° | 59.0° |
| H212 | C21 | O22 | C23 | 62.0° | 59.7° |
| O22 | C23 | C24 | H231 | 120.0° | 119.1° |
| O22 | C23 | C24 | H232 | 109.5° | 118.9° |
| O22 | C23 | H231 | H232 | 112.1° | 117.9° |
| O22 | C23 | C24 | O25 | 98.7° | 60.9° |
| O22 | C23 | C24 | H241 | 141.3° | 180.0° |
| O22 | C23 | C24 | H242 | 12.2° | 58.0° |
| C24 | C23 | H231 | H232 | 112.2° | 122.4° |
| C23 | C24 | O25 | H241 | 120.0° | 121.0° |
| C23 | C24 | O25 | H242 | 110.9° | 120.3° |
| C23 | C24 | H241 | H242 | 113.0° | 122.5° |
| C23 | C24 | O25 | C26 | 171.1° | 180.0° |
| H231 | C23 | C24 | O25 | 21.3° | 180.0° |
| H231 | C23 | C24 | H241 | 98.7° | 60.9° |
| H231 | C23 | C24 | H242 | 132.2° | 61.1° |
| H232 | C23 | C24 | O25 | 151.8° | 58.1° |
| H232 | C23 | C24 | H241 | 31.8° | 61.1° |
| H232 | C23 | C24 | H242 | 97.3° | 176.9° |
| O25 | C24 | H241 | H242 | 113.0° | 117.8° |
| C24 | O25 | C26 | C27 | 179.5° | 179.0° |
| C24 | O25 | C26 | H261 | 59.5° | 60.0° |
| C24 | O25 | C26 | H262 | 71.1° | 58.7° |
| H241 | C24 | O25 | C26 | 51.0° | 59.0° |
| H242 | C24 | O25 | C26 | 78.0° | 59.7° |
| O25 | C26 | C27 | H261 | 120.0° | 119.1° |
| O25 | C26 | C27 | H262 | 109.3° | 118.9° |
| O25 | C26 | H261 | H262 | 112.1° | 117.8° |
| O25 | C26 | C27 | O28 | 115.1° | 60.9° |
| O25 | C26 | C27 | H271 | 4.9° | 180.0° |
| O25 | C26 | C27 | H272 | 135.8° | 58.0° |
| C27 | C26 | H261 | H262 | 112.1° | 122.5° |
| C26 | C27 | O28 | H271 | 120.0° | 121.0° |
| C26 | C27 | O28 | H272 | 109.1° | 120.2° |
| C26 | C27 | H271 | H272 | 111.9° | 122.5° |
| C26 | C27 | O28 | C29 | 179.6° | 179.0° |
| H261 | C26 | C27 | O28 | 124.9° | 180.0° |
| H261 | C26 | C27 | H271 | 115.1° | 60.9° |
| H261 | C26 | C27 | H272 | 15.8° | 61.2° |
| H262 | C26 | C27 | O28 | 5.8° | 58.0° |
| H262 | C26 | C27 | H271 | 114.2° | 61.1° |
| H262 | C26 | C27 | H272 | 114.9° | 176.8° |
| O28 | C27 | H271 | H272 | 111.9° | 117.8° |
| C27 | O28 | C29 | C30 | 173.7° | 180.0° |
| C27 | O28 | C29 | H291 | 53.7° | 59.1° |
| C27 | O28 | C29 | H292 | 78.7° | 59.8° |
| H271 | C27 | O28 | C29 | 59.6° | 60.0° |
| H272 | C27 | O28 | C29 | 71.3° | 58.8° |
| O28 | C29 | C30 | H291 | 120.0° | 119.1° |
| O28 | C29 | C30 | H292 | 107.7° | 118.9° |
| O28 | C29 | H291 | H292 | 111.1° | 117.9° |
| O28 | C29 | C30 | O31 | 31.3° | 59.2° |
| O28 | C29 | C30 | H301 | 88.7° | 60.0° |
| O28 | C29 | C30 | H302 | 141.8° | 178.0° |
| C30 | C29 | H291 | H292 | 111.1° | 122.5° |
| C29 | C30 | O31 | H301 | 120.0° | 121.0° |
| C29 | C30 | O31 | H302 | 110.5° | 120.2° |
| C29 | C30 | H301 | H302 | 112.7° | 122.5° |
| C29 | C30 | O31 | C32 | 175.1° | 179.0° |
| H291 | C29 | C30 | O31 | 151.3° | 59.9° |
| H291 | C29 | C30 | H301 | 31.3° | 179.1° |
| H291 | C29 | C30 | H302 | 98.2° | 58.9° |
| H292 | C29 | C30 | O31 | 76.3° | 178.0° |
| H292 | C29 | C30 | H301 | 163.6° | 58.9° |
| H292 | C29 | C30 | H302 | 34.1° | 63.2° |
| O31 | C30 | H301 | H302 | 112.7° | 117.9° |
| C30 | O31 | C32 | C33 | 111.3° | 179.9° |
| C30 | O31 | C32 | H321 | 8.7° | 59.1° |
| C30 | O31 | C32 | H322 | 137.9° | 59.8° |
| H301 | C30 | O31 | C32 | 64.9° | 60.0° |
| H302 | C30 | O31 | C32 | 64.6° | 58.8° |
| O31 | C32 | C33 | H321 | 120.0° | 119.2° |
| O31 | C32 | C33 | H322 | 110.8° | 118.9° |
| O31 | C32 | H321 | H322 | 113.0° | 117.9° |
| O31 | C32 | C33 | O34 | 177.6° | 60.9° |
| O31 | C32 | C33 | H331 | 57.7° | 180.0° |
| O31 | C32 | C33 | H332 | 71.8° | 58.0° |
| C33 | C32 | H321 | H322 | 112.9° | 122.4° |
| C32 | C33 | O34 | H331 | 120.0° | 121.0° |
| C32 | C33 | O34 | H332 | 110.6° | 120.2° |
| C32 | C33 | H331 | H332 | 112.8° | 122.4° |
| C32 | C33 | O34 | C35 | 118.9° | 179.0° |
| H321 | C32 | C33 | O34 | 62.4° | 180.0° |
| H321 | C32 | C33 | H331 | 177.6° | 60.8° |
| H321 | C32 | C33 | H332 | 48.2° | 61.2° |
| H322 | C32 | C33 | O34 | 66.8° | 58.0° |
| H322 | C32 | C33 | H331 | 53.2° | 61.2° |
| H322 | C32 | C33 | H332 | 177.4° | 176.9° |
| O34 | C33 | H331 | H332 | 112.8° | 117.9° |
| C33 | O34 | C35 | C36 | 82.6° | 180.0° |
| C33 | O34 | C35 | H351 | 37.4° | 59.0° |
| C33 | O34 | C35 | H352 | 165.8° | 59.8° |
| H331 | C33 | O34 | C35 | 121.1° | 60.0° |
| H332 | C33 | O34 | C35 | 8.4° | 58.8° |
| O34 | C35 | C36 | H351 | 120.0° | 119.1° |
| O34 | C35 | C36 | H352 | 111.6° | 118.9° |
| O34 | C35 | H351 | H352 | 113.5° | 117.9° |
| O34 | C35 | C36 | O37 | 133.2° | 60.9° |
| O34 | C35 | C36 | H361 | 13.2° | 180.0° |
| O34 | C35 | C36 | H362 | 108.9° | 58.0° |
| C36 | C35 | H351 | H352 | 113.4° | 122.5° |
| C35 | C36 | O37 | H361 | 120.0° | 120.9° |
| C35 | C36 | O37 | H362 | 118.0° | 120.2° |
| C35 | C36 | H361 | H362 | 118.2° | 122.5° |
| C35 | C36 | O37 | C38 | 154.1° | 179.0° |
| H351 | C35 | C36 | O37 | 106.8° | 180.0° |
| H351 | C35 | C36 | H361 | 133.2° | 60.9° |
| H351 | C35 | C36 | H362 | 11.2° | 61.1° |
| H352 | C35 | C36 | O37 | 21.6° | 58.0° |
| H352 | C35 | C36 | H361 | 98.4° | 61.1° |
| H352 | C35 | C36 | H362 | 139.5° | 176.8° |
| O37 | C36 | H361 | H362 | 118.1° | 117.9° |
| C36 | O37 | C38 | C39 | 90.0° | 180.0° |
| C36 | O37 | C38 | H381 | 90.0° | 59.0° |
| C36 | O37 | C38 | H382 | 90.0° | 59.8° |
| H361 | C36 | O37 | C38 | 85.9° | 60.1° |
| H362 | C36 | O37 | C38 | 36.2° | 58.8° |
| O37 | C38 | C39 | H381 | 90.0° | 119.1° |
| O37 | C38 | C39 | H382 | 90.0° | 118.8° |
| O37 | C38 | H381 | H382 | 90.0° | 117.8° |
| O37 | C38 | C39 | OXT | 90.0° | 59.1° |
| O37 | C38 | C39 | H391 | 90.0° | 60.0° |
| O37 | C38 | C39 | H392 | 90.0° | 178.0° |
| C39 | C38 | H381 | H382 | 90.0° | 122.5° |
| C38 | C39 | OXT | H391 | 90.0° | 120.9° |
| C38 | C39 | OXT | H392 | 90.0° | 120.2° |
| C38 | C39 | H391 | H392 | 90.0° | 122.5° |
| C38 | C39 | OXT | HXT | 90.0° | 13.1° |
| H381 | C38 | C39 | OXT | 90.0° | 60.0° |
| H381 | C38 | C39 | H391 | 90.0° | 179.1° |
| H381 | C38 | C39 | H392 | 90.0° | 58.9° |
| H382 | C38 | C39 | OXT | 90.0° | 177.9° |
| H382 | C38 | C39 | H391 | 90.0° | 58.9° |
| H382 | C38 | C39 | H392 | 90.0° | 63.2° |
| OXT | C39 | H391 | H392 | 90.0° | 117.9° |
| H391 | C39 | OXT | HXT | 90.0° | 107.8° |
| H392 | C39 | OXT | HXT | 90.0° | 133.3° |
