PH1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | sing | 1.43Å | 1.28Å | |
| O1 | C51 | sing | 1.43Å | 1.30Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.55Å | |
| C3 | C5 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C4 | H43A | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52A | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C15 | sing | 1.53Å | 1.49Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | H171 | sing | 1.09Å | 1.11Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.11Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.12Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.11Å | |
| O31 | C31 | sing | 1.43Å | 1.31Å | |
| O31 | C52 | sing | 1.43Å | 1.30Å | |
| 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 | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| C33 | C35 | sing | 1.53Å | 1.55Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C34 | H343 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | H351 | sing | 1.09Å | 1.11Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | C40 | sing | 1.53Å | 1.55Å | |
| C38 | H38 | sing | 1.09Å | 1.12Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C39 | H393 | sing | 1.09Å | 1.11Å | |
| C40 | C41 | sing | 1.53Å | 1.52Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| C41 | C42 | sing | 1.53Å | 1.54Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C42 | C43 | sing | 1.53Å | 1.55Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C43 | C44 | sing | 1.53Å | 1.52Å | |
| C43 | C45 | sing | 1.53Å | 1.56Å | |
| C43 | H43 | sing | 1.09Å | 1.11Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.11Å | |
| C45 | C46 | sing | 1.53Å | 1.55Å | |
| C45 | H451 | sing | 1.09Å | 1.11Å | |
| C45 | H452 | sing | 1.09Å | 1.12Å | |
| C46 | C47 | sing | 1.53Å | 1.55Å | |
| C46 | H461 | sing | 1.09Å | 1.11Å | |
| C46 | H462 | sing | 1.09Å | 1.11Å | |
| C47 | C48 | sing | 1.53Å | 1.55Å | |
| C47 | H471 | sing | 1.09Å | 1.11Å | |
| C47 | H472 | sing | 1.09Å | 1.12Å | |
| C48 | C49 | sing | 1.53Å | 1.53Å | |
| C48 | C50 | sing | 1.53Å | 1.52Å | |
| C48 | H48 | sing | 1.09Å | 1.11Å | |
| C49 | H491 | sing | 1.09Å | 1.11Å | |
| C49 | H492 | sing | 1.09Å | 1.11Å | |
| C49 | H493 | sing | 1.09Å | 1.12Å | |
| C50 | H501 | sing | 1.09Å | 1.12Å | |
| C50 | H502 | sing | 1.09Å | 1.12Å | |
| C50 | H503 | sing | 1.09Å | 1.11Å | |
| C51 | C52 | sing | 1.53Å | 1.57Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C52 | C53 | sing | 1.53Å | 1.55Å | |
| C52 | H52 | sing | 1.09Å | 1.11Å | |
| C53 | H531 | sing | 1.09Å | 1.12Å | |
| C53 | H532 | sing | 1.09Å | 1.11Å | |
| C53 | H533 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O1 | C51 | 123.2° | 106.8° |
| O1 | C1 | C2 | 122.5° | 109.5° |
| O1 | C1 | H11 | 107.6° | 109.5° |
| O1 | C1 | H12 | 107.6° | 109.4° |
| O1 | C51 | C52 | 125.0° | 109.5° |
| O1 | C51 | H511 | 106.7° | 109.5° |
| O1 | C51 | H512 | 106.7° | 109.5° |
| C2 | C1 | H11 | 107.6° | 109.6° |
| C2 | C1 | H12 | 107.5° | 109.4° |
| C1 | C2 | C3 | 116.0° | 109.5° |
| C1 | C2 | H21 | 109.9° | 109.5° |
| C1 | C2 | H22 | 109.9° | 109.4° |
| H11 | C1 | H12 | 102.3° | 109.4° |
| C3 | C2 | H21 | 109.8° | 109.6° |
| C3 | C2 | H22 | 109.9° | 109.4° |
| C2 | C3 | C4 | 114.9° | 109.5° |
| C2 | C3 | C5 | 113.3° | 109.5° |
| C2 | C3 | H3 | 104.0° | 109.4° |
| H21 | C2 | H22 | 100.3° | 109.5° |
| C4 | C3 | C5 | 113.4° | 109.5° |
| C4 | C3 | H3 | 103.9° | 109.4° |
| C3 | C4 | H41 | 114.9° | 109.4° |
| C3 | C4 | H42 | 110.2° | 109.5° |
| C3 | C4 | H43A | 110.2° | 109.5° |
| C5 | C3 | H3 | 105.8° | 109.4° |
| C3 | C5 | C6 | 114.0° | 109.5° |
| C3 | C5 | H51 | 110.6° | 109.5° |
| C3 | C5 | H52A | 110.6° | 109.4° |
| H41 | C4 | H42 | 110.3° | 109.5° |
| H41 | C4 | H43A | 110.2° | 109.5° |
| H42 | C4 | H43A | 100.0° | 109.5° |
| C6 | C5 | H51 | 110.6° | 109.6° |
| C6 | C5 | H52A | 110.6° | 109.4° |
| C5 | C6 | C7 | 115.6° | 109.5° |
| C5 | C6 | H61 | 110.0° | 109.5° |
| C5 | C6 | H62 | 110.0° | 109.4° |
| H51 | C5 | H52A | 99.6° | 109.4° |
| C7 | C6 | H61 | 110.0° | 109.5° |
| C7 | C6 | H62 | 110.0° | 109.5° |
| C6 | C7 | C8 | 116.3° | 109.5° |
| C6 | C7 | H71 | 109.8° | 109.5° |
| C6 | C7 | H72 | 109.8° | 109.4° |
| H61 | C6 | H62 | 100.3° | 109.5° |
| C8 | C7 | H71 | 109.7° | 109.6° |
| C8 | C7 | H72 | 109.7° | 109.4° |
| C7 | C8 | C9 | 115.7° | 109.5° |
| C7 | C8 | C10 | 114.1° | 109.5° |
| C7 | C8 | H8 | 103.9° | 109.4° |
| H71 | C7 | H72 | 100.5° | 109.4° |
| C9 | C8 | C10 | 116.3° | 109.5° |
| C9 | C8 | H8 | 100.7° | 109.5° |
| C8 | C9 | H91 | 115.8° | 109.4° |
| C8 | C9 | H92 | 109.9° | 109.5° |
| C8 | C9 | H93 | 110.0° | 109.5° |
| C10 | C8 | H8 | 103.2° | 109.4° |
| C8 | C10 | C11 | 116.0° | 109.5° |
| C8 | C10 | H101 | 109.8° | 109.5° |
| C8 | C10 | H102 | 109.8° | 109.4° |
| H91 | C9 | H92 | 109.9° | 109.5° |
| H91 | C9 | H93 | 109.9° | 109.5° |
| H92 | C9 | H93 | 100.3° | 109.5° |
| C11 | C10 | H101 | 109.9° | 109.5° |
| C11 | C10 | H102 | 109.9° | 109.4° |
| C10 | C11 | C12 | 112.5° | 109.6° |
| C10 | C11 | H111 | 111.1° | 109.5° |
| C10 | C11 | H112 | 111.1° | 109.4° |
| H101 | C10 | H102 | 100.4° | 109.4° |
| C12 | C11 | H111 | 111.1° | 109.5° |
| C12 | C11 | H112 | 111.1° | 109.4° |
| C11 | C12 | C13 | 115.3° | 109.6° |
| C11 | C12 | H121 | 110.1° | 109.5° |
| C11 | C12 | H122 | 110.1° | 109.4° |
| H111 | C11 | H112 | 99.2° | 109.4° |
| C13 | C12 | H121 | 110.1° | 109.5° |
| C13 | C12 | H122 | 110.1° | 109.4° |
| C12 | C13 | C14 | 114.3° | 109.5° |
| C12 | C13 | C15 | 114.2° | 109.5° |
| C12 | C13 | H13 | 103.5° | 109.4° |
| H121 | C12 | H122 | 100.2° | 109.4° |
| C14 | C13 | C15 | 112.8° | 109.5° |
| C14 | C13 | H13 | 105.3° | 109.4° |
| C13 | C14 | H141 | 114.3° | 109.4° |
| C13 | C14 | H142 | 110.4° | 109.5° |
| C13 | C14 | H143 | 110.4° | 109.4° |
| C15 | C13 | H13 | 105.4° | 109.5° |
| C13 | C15 | C16 | 114.7° | 109.5° |
| C13 | C15 | H151 | 110.3° | 109.4° |
| C13 | C15 | H152 | 110.3° | 109.4° |
| H141 | C14 | H142 | 110.4° | 109.5° |
| H141 | C14 | H143 | 110.4° | 109.5° |
| H142 | C14 | H143 | 99.9° | 109.5° |
| C16 | C15 | H151 | 110.3° | 109.5° |
| C16 | C15 | H152 | 110.3° | 109.5° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C15 | C16 | H161 | 111.2° | 109.5° |
| C15 | C16 | H162 | 111.2° | 109.5° |
| H151 | C15 | H152 | 99.9° | 109.5° |
| C17 | C16 | H161 | 111.2° | 109.5° |
| C17 | C16 | H162 | 111.2° | 109.5° |
| C16 | C17 | C18 | 116.0° | 109.5° |
| C16 | C17 | H171 | 109.9° | 109.4° |
| C16 | C17 | H172 | 109.9° | 109.5° |
| H161 | C16 | H162 | 99.2° | 109.4° |
| C18 | C17 | H171 | 109.9° | 109.5° |
| C18 | C17 | H172 | 109.8° | 109.5° |
| C17 | C18 | C19 | 111.2° | 109.5° |
| C17 | C18 | C20 | 115.4° | 109.5° |
| C17 | C18 | H18 | 104.8° | 109.5° |
| H171 | C17 | H172 | 100.3° | 109.4° |
| C19 | C18 | C20 | 111.8° | 109.4° |
| C19 | C18 | H18 | 108.9° | 109.5° |
| C18 | C19 | H191 | 111.2° | 109.5° |
| C18 | C19 | H192 | 111.6° | 109.5° |
| C18 | C19 | H193 | 111.6° | 109.5° |
| C20 | C18 | H18 | 104.0° | 109.5° |
| C18 | C20 | H201 | 115.4° | 109.5° |
| C18 | C20 | H202 | 110.0° | 109.5° |
| C18 | C20 | H203 | 110.1° | 109.5° |
| H191 | C19 | H192 | 111.5° | 109.4° |
| H191 | C19 | H193 | 111.6° | 109.4° |
| H192 | C19 | H193 | 98.8° | 109.5° |
| H201 | C20 | H202 | 110.0° | 109.4° |
| H201 | C20 | H203 | 110.1° | 109.5° |
| H202 | C20 | H203 | 100.1° | 109.4° |
| C31 | O31 | C52 | 121.2° | 106.8° |
| O31 | C31 | C32 | 123.1° | 109.5° |
| O31 | C31 | H311 | 107.3° | 109.5° |
| O31 | C31 | H312 | 107.4° | 109.5° |
| O31 | C52 | C51 | 118.6° | 109.5° |
| O31 | C52 | C53 | 118.2° | 109.5° |
| O31 | C52 | H52 | 95.3° | 109.5° |
| C32 | C31 | H311 | 107.4° | 109.4° |
| C32 | C31 | H312 | 107.4° | 109.5° |
| C31 | C32 | C33 | 115.1° | 109.5° |
| C31 | C32 | H321 | 110.2° | 109.4° |
| C31 | C32 | H322 | 110.1° | 109.5° |
| H311 | C31 | H312 | 102.4° | 109.5° |
| C33 | C32 | H321 | 110.1° | 109.5° |
| C33 | C32 | H322 | 110.1° | 109.5° |
| C32 | C33 | C34 | 112.9° | 109.5° |
| C32 | C33 | C35 | 115.1° | 109.5° |
| C32 | C33 | H33 | 104.6° | 109.4° |
| H321 | C32 | H322 | 100.1° | 109.4° |
| C34 | C33 | C35 | 114.2° | 109.5° |
| C34 | C33 | H33 | 105.6° | 109.5° |
| C33 | C34 | H341 | 112.8° | 109.5° |
| C33 | C34 | H342 | 111.0° | 109.5° |
| C33 | C34 | H343 | 111.0° | 109.5° |
| C35 | C33 | H33 | 102.9° | 109.5° |
| C33 | C35 | C36 | 115.4° | 109.5° |
| C33 | C35 | H351 | 110.0° | 109.4° |
| C33 | C35 | H352 | 110.0° | 109.5° |
| H341 | C34 | H342 | 110.9° | 109.5° |
| H341 | C34 | H343 | 111.0° | 109.4° |
| H342 | C34 | H343 | 99.4° | 109.5° |
| C36 | C35 | H351 | 110.0° | 109.5° |
| C36 | C35 | H352 | 110.0° | 109.5° |
| C35 | C36 | C37 | 113.7° | 109.5° |
| C35 | C36 | H361 | 110.7° | 109.4° |
| C35 | C36 | H362 | 110.7° | 109.5° |
| H351 | C35 | H352 | 100.2° | 109.5° |
| C37 | C36 | H361 | 110.7° | 109.5° |
| C37 | C36 | H362 | 110.6° | 109.5° |
| C36 | C37 | C38 | 117.0° | 109.5° |
| C36 | C37 | H371 | 109.5° | 109.5° |
| C36 | C37 | H372 | 109.5° | 109.5° |
| H361 | C36 | H362 | 99.6° | 109.5° |
| C38 | C37 | H371 | 109.4° | 109.4° |
| C38 | C37 | H372 | 109.5° | 109.5° |
| C37 | C38 | C39 | 113.3° | 109.5° |
| C37 | C38 | C40 | 112.8° | 109.5° |
| C37 | C38 | H38 | 105.6° | 109.4° |
| H371 | C37 | H372 | 100.7° | 109.4° |
| C39 | C38 | C40 | 113.0° | 109.5° |
| C39 | C38 | H38 | 105.3° | 109.5° |
| C38 | C39 | H391 | 113.2° | 109.5° |
| C38 | C39 | H392 | 110.8° | 109.4° |
| C38 | C39 | H393 | 110.8° | 109.5° |
| C40 | C38 | H38 | 105.9° | 109.5° |
| C38 | C40 | C41 | 115.7° | 109.5° |
| C38 | C40 | H401 | 110.0° | 109.5° |
| C38 | C40 | H402 | 109.9° | 109.5° |
| H391 | C39 | H392 | 110.8° | 109.4° |
| H391 | C39 | H393 | 110.8° | 109.5° |
| H392 | C39 | H393 | 99.5° | 109.5° |
| C41 | C40 | H401 | 109.9° | 109.4° |
| C41 | C40 | H402 | 109.9° | 109.5° |
| C40 | C41 | C42 | 114.7° | 109.5° |
| C40 | C41 | H411 | 110.3° | 109.5° |
| C40 | C41 | H412 | 110.3° | 109.5° |
| H401 | C40 | H402 | 100.3° | 109.5° |
| C42 | C41 | H411 | 110.3° | 109.5° |
| C42 | C41 | H412 | 110.3° | 109.5° |
| C41 | C42 | C43 | 116.6° | 109.5° |
| C41 | C42 | H421 | 109.6° | 109.5° |
| C41 | C42 | H422 | 109.7° | 109.5° |
| H411 | C41 | H412 | 99.9° | 109.5° |
| C43 | C42 | H421 | 109.6° | 109.4° |
| C43 | C42 | H422 | 109.6° | 109.5° |
| C42 | C43 | C44 | 114.7° | 109.5° |
| C42 | C43 | C45 | 114.8° | 109.5° |
| C42 | C43 | H43 | 102.6° | 109.5° |
| H421 | C42 | H422 | 100.6° | 109.5° |
| C44 | C43 | C45 | 112.6° | 109.5° |
| C44 | C43 | H43 | 105.4° | 109.4° |
| C43 | C44 | H441 | 114.7° | 109.5° |
| C43 | C44 | H442 | 110.4° | 109.5° |
| C43 | C44 | H443 | 110.4° | 109.5° |
| C45 | C43 | H43 | 105.2° | 109.4° |
| C43 | C45 | C46 | 116.1° | 109.5° |
| C43 | C45 | H451 | 109.8° | 109.4° |
| C43 | C45 | H452 | 109.8° | 109.5° |
| H441 | C44 | H442 | 110.3° | 109.5° |
| H441 | C44 | H443 | 110.3° | 109.5° |
| H442 | C44 | H443 | 99.9° | 109.5° |
| C46 | C45 | H451 | 109.8° | 109.5° |
| C46 | C45 | H452 | 109.8° | 109.5° |
| C45 | C46 | C47 | 114.9° | 109.5° |
| C45 | C46 | H461 | 110.2° | 109.5° |
| C45 | C46 | H462 | 110.2° | 109.5° |
| H451 | C45 | H452 | 100.4° | 109.5° |
| C47 | C46 | H461 | 110.2° | 109.4° |
| C47 | C46 | H462 | 110.2° | 109.5° |
| C46 | C47 | C48 | 117.0° | 109.5° |
| C46 | C47 | H471 | 109.5° | 109.4° |
| C46 | C47 | H472 | 109.5° | 109.5° |
| H461 | C46 | H462 | 100.1° | 109.4° |
| C48 | C47 | H471 | 109.5° | 109.5° |
| C48 | C47 | H472 | 109.5° | 109.5° |
| C47 | C48 | C49 | 113.8° | 109.5° |
| C47 | C48 | C50 | 114.6° | 109.5° |
| C47 | C48 | H48 | 103.4° | 109.5° |
| H471 | C47 | H472 | 100.6° | 109.5° |
| C49 | C48 | C50 | 112.3° | 109.4° |
| C49 | C48 | H48 | 106.4° | 109.4° |
| C48 | C49 | H491 | 113.8° | 109.6° |
| C48 | C49 | H492 | 110.6° | 109.4° |
| C48 | C49 | H493 | 110.6° | 109.5° |
| C50 | C48 | H48 | 105.3° | 109.5° |
| C48 | C50 | H501 | 114.6° | 109.4° |
| C48 | C50 | H502 | 110.3° | 109.4° |
| C48 | C50 | H503 | 110.3° | 109.5° |
| H491 | C49 | H492 | 110.7° | 109.5° |
| H491 | C49 | H493 | 110.6° | 109.4° |
| H492 | C49 | H493 | 99.6° | 109.4° |
| H501 | C50 | H502 | 110.3° | 109.5° |
| H501 | C50 | H503 | 110.4° | 109.5° |
| H502 | C50 | H503 | 99.9° | 109.5° |
| C52 | C51 | H511 | 106.7° | 109.5° |
| C52 | C51 | H512 | 106.7° | 109.5° |
| C51 | C52 | C53 | 114.0° | 109.5° |
| C51 | C52 | H52 | 102.4° | 109.5° |
| H511 | C51 | H512 | 102.9° | 109.4° |
| C53 | C52 | H52 | 103.1° | 109.4° |
| C52 | C53 | H531 | 118.2° | 109.4° |
| C52 | C53 | H532 | 109.0° | 109.5° |
| C52 | C53 | H533 | 109.0° | 109.5° |
| H531 | C53 | H532 | 109.1° | 109.4° |
| H531 | C53 | H533 | 109.1° | 109.4° |
| H532 | C53 | H533 | 101.1° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | C2 | H11 | 125.2° | 120.1° |
| O1 | C1 | C2 | H12 | 125.3° | 119.9° |
| O1 | C1 | H11 | H12 | 113.1° | 119.9° |
| O1 | C1 | C2 | C3 | 67.3° | 180.0° |
| O1 | C1 | C2 | H21 | 167.4° | 59.9° |
| O1 | C1 | C2 | H22 | 58.0° | 60.1° |
| C1 | O1 | C51 | C52 | 74.4° | 180.0° |
| C1 | O1 | C51 | H511 | 160.4° | 59.9° |
| C1 | O1 | C51 | H512 | 50.9° | 60.0° |
| C51 | O1 | C1 | C2 | 144.6° | 180.0° |
| C51 | O1 | C1 | H11 | 90.2° | 59.9° |
| C51 | O1 | C1 | H12 | 19.4° | 60.0° |
| O1 | C51 | C52 | O31 | 179.3° | 60.0° |
| O1 | C51 | C52 | H511 | 125.3° | 120.1° |
| O1 | C51 | C52 | H512 | 125.2° | 120.0° |
| O1 | C51 | H511 | H512 | 112.1° | 120.0° |
| O1 | C51 | C52 | C53 | 33.0° | 180.0° |
| O1 | C51 | C52 | H52 | 77.6° | 60.0° |
| C2 | C1 | H11 | H12 | 113.1° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.1° |
| C1 | C2 | C3 | H22 | 125.3° | 119.9° |
| C1 | C2 | H21 | H22 | 115.6° | 119.9° |
| C1 | C2 | C3 | C4 | 51.1° | 59.9° |
| C1 | C2 | C3 | C5 | 176.3° | 180.0° |
| C1 | C2 | C3 | H3 | 61.8° | 60.1° |
| H11 | C1 | C2 | C3 | 57.9° | 59.9° |
| H11 | C1 | C2 | H21 | 67.4° | 180.0° |
| H11 | C1 | C2 | H22 | 176.8° | 60.0° |
| H12 | C1 | C2 | C3 | 167.4° | 60.1° |
| H12 | C1 | C2 | H21 | 42.1° | 60.1° |
| H12 | C1 | C2 | H22 | 67.3° | 180.0° |
| C3 | C2 | H21 | H22 | 115.6° | 120.0° |
| C2 | C3 | C4 | C5 | 132.6° | 120.1° |
| C2 | C3 | C4 | H3 | 113.0° | 119.9° |
| C2 | C3 | C5 | H3 | 113.4° | 119.9° |
| C2 | C3 | C4 | H41 | 180.0° | 60.1° |
| C2 | C3 | C4 | H42 | 54.7° | 180.0° |
| C2 | C3 | C4 | H43A | 54.8° | 59.9° |
| C2 | C3 | C5 | C6 | 163.9° | 180.0° |
| C2 | C3 | C5 | H51 | 70.8° | 59.8° |
| C2 | C3 | C5 | H52A | 38.6° | 60.1° |
| H21 | C2 | C3 | C4 | 74.3° | 180.0° |
| H21 | C2 | C3 | C5 | 58.4° | 59.9° |
| H21 | C2 | C3 | H3 | 172.8° | 60.0° |
| H22 | C2 | C3 | C4 | 176.4° | 60.0° |
| H22 | C2 | C3 | C5 | 51.0° | 60.1° |
| H22 | C2 | C3 | H3 | 63.5° | 179.9° |
| C4 | C3 | C5 | H3 | 113.3° | 119.9° |
| C3 | C4 | H41 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H43A | 125.2° | 120.0° |
| C3 | C4 | H42 | H43A | 116.0° | 120.1° |
| C4 | C3 | C5 | C6 | 62.8° | 59.9° |
| C4 | C3 | C5 | H51 | 62.6° | 180.0° |
| C4 | C3 | C5 | H52A | 171.9° | 60.0° |
| C5 | C3 | C4 | H41 | 47.4° | 60.0° |
| C5 | C3 | C4 | H42 | 172.7° | 59.9° |
| C5 | C3 | C4 | H43A | 77.8° | 180.0° |
| C3 | C5 | C6 | H51 | 125.3° | 120.1° |
| C3 | C5 | C6 | H52A | 125.3° | 119.9° |
| C3 | C5 | H51 | H52A | 116.4° | 119.9° |
| C3 | C5 | C6 | C7 | 121.4° | 180.0° |
| C3 | C5 | C6 | H61 | 113.3° | 59.9° |
| C3 | C5 | C6 | H62 | 3.9° | 60.1° |
| H3 | C3 | C4 | H41 | 67.1° | NaN° |
| H3 | C3 | C4 | H42 | 58.3° | 60.0° |
| H3 | C3 | C4 | H43A | 167.7° | 60.0° |
| H3 | C3 | C5 | C6 | 50.5° | 60.1° |
| H3 | C3 | C5 | H51 | 175.8° | 60.1° |
| H3 | C3 | C5 | H52A | 74.8° | 180.0° |
| H41 | C4 | H42 | H43A | 116.1° | 120.0° |
| C6 | C5 | H51 | H52A | 116.4° | 120.0° |
| C5 | C6 | C7 | H61 | 125.3° | 120.1° |
| C5 | C6 | C7 | H62 | 125.2° | 119.9° |
| C5 | C6 | H61 | H62 | 115.8° | 119.9° |
| C5 | C6 | C7 | C8 | 100.6° | 180.0° |
| C5 | C6 | C7 | H71 | 134.2° | 59.8° |
| C5 | C6 | C7 | H72 | 24.6° | 60.1° |
| H51 | C5 | C6 | C7 | 3.9° | 59.9° |
| H51 | C5 | C6 | H61 | 121.3° | 180.0° |
| H51 | C5 | C6 | H62 | 129.2° | 60.1° |
| H52A | C5 | C6 | C7 | 113.3° | 60.1° |
| H52A | C5 | C6 | H61 | 12.0° | 60.0° |
| H52A | C5 | C6 | H62 | 121.5° | 179.9° |
| C7 | C6 | H61 | H62 | 115.8° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.1° |
| C6 | C7 | C8 | H72 | 125.3° | 119.9° |
| C6 | C7 | H71 | H72 | 115.6° | 119.9° |
| C6 | C7 | C8 | C9 | 20.1° | 59.9° |
| C6 | C7 | C8 | C10 | 118.9° | 180.0° |
| C6 | C7 | C8 | H8 | 129.6° | 60.1° |
| H61 | C6 | C7 | C8 | 24.7° | 59.9° |
| H61 | C6 | C7 | H71 | 100.5° | 179.9° |
| H61 | C6 | C7 | H72 | 149.9° | 60.0° |
| H62 | C6 | C7 | C8 | 134.2° | 60.1° |
| H62 | C6 | C7 | H71 | 9.0° | 60.0° |
| H62 | C6 | C7 | H72 | 100.6° | 180.0° |
| C8 | C7 | H71 | H72 | 115.4° | 120.0° |
| C7 | C8 | C9 | C10 | 138.1° | 120.1° |
| C7 | C8 | C9 | H8 | 111.3° | 119.9° |
| C7 | C8 | C10 | H8 | 112.0° | 119.9° |
| C7 | C8 | C9 | H91 | 180.0° | 60.1° |
| C7 | C8 | C9 | H92 | 54.8° | 180.0° |
| C7 | C8 | C9 | H93 | 54.8° | 59.9° |
| C7 | C8 | C10 | C11 | 178.4° | 180.0° |
| C7 | C8 | C10 | H101 | 56.3° | 59.8° |
| C7 | C8 | C10 | H102 | 53.1° | 60.1° |
| H71 | C7 | C8 | C9 | 145.4° | 180.0° |
| H71 | C7 | C8 | C10 | 6.4° | 59.9° |
| H71 | C7 | C8 | H8 | 105.2° | 60.0° |
| H72 | C7 | C8 | C9 | 105.1° | 60.1° |
| H72 | C7 | C8 | C10 | 115.9° | 60.1° |
| H72 | C7 | C8 | H8 | 4.3° | 179.9° |
| C9 | C8 | C10 | H8 | 109.2° | 120.0° |
| C8 | C9 | H91 | H92 | 125.2° | 120.0° |
| C8 | C9 | H91 | H93 | 125.3° | 120.0° |
| C8 | C9 | H92 | H93 | 115.8° | 120.1° |
| C9 | C8 | C10 | C11 | 42.8° | 59.9° |
| C9 | C8 | C10 | H101 | 82.4° | 180.0° |
| C9 | C8 | C10 | H102 | 168.1° | 60.1° |
| C10 | C8 | C9 | H91 | 42.0° | 60.0° |
| C10 | C8 | C9 | H92 | 167.2° | 59.9° |
| C10 | C8 | C9 | H93 | 83.3° | 180.0° |
| C8 | C10 | C11 | H101 | 125.3° | 120.2° |
| C8 | C10 | C11 | H102 | 125.2° | 120.0° |
| C8 | C10 | H101 | H102 | 115.6° | 119.9° |
| C8 | C10 | C11 | C12 | 120.9° | 180.0° |
| C8 | C10 | C11 | H111 | 113.8° | 59.9° |
| C8 | C10 | C11 | H112 | 4.4° | 60.0° |
| H8 | C8 | C9 | H91 | 68.7° | 180.0° |
| H8 | C8 | C9 | H92 | 56.5° | 60.0° |
| H8 | C8 | C9 | H93 | 166.1° | 60.0° |
| H8 | C8 | C10 | C11 | 66.4° | 60.1° |
| H8 | C8 | C10 | H101 | 168.4° | 60.0° |
| H8 | C8 | C10 | H102 | 58.9° | 179.9° |
| H91 | C9 | H92 | H93 | 115.7° | 120.0° |
| C11 | C10 | H101 | H102 | 115.7° | 119.9° |
| C10 | C11 | C12 | H111 | 125.3° | 120.1° |
| C10 | C11 | C12 | H112 | 125.2° | 120.0° |
| C10 | C11 | H111 | H112 | 116.9° | 119.9° |
| C10 | C11 | C12 | C13 | 87.3° | 180.0° |
| C10 | C11 | C12 | H121 | 37.9° | 59.8° |
| C10 | C11 | C12 | H122 | 147.4° | 60.0° |
| H101 | C10 | C11 | C12 | 4.4° | 59.9° |
| H101 | C10 | C11 | H111 | 120.9° | 180.0° |
| H101 | C10 | C11 | H112 | 129.6° | 60.1° |
| H102 | C10 | C11 | C12 | 113.9° | 60.0° |
| H102 | C10 | C11 | H111 | 11.4° | 60.1° |
| H102 | C10 | C11 | H112 | 120.8° | 180.0° |
| C12 | C11 | H111 | H112 | 117.0° | 119.9° |
| C11 | C12 | C13 | H121 | 125.2° | 120.1° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 115.9° | 119.9° |
| C11 | C12 | C13 | C14 | 158.9° | 59.9° |
| C11 | C12 | C13 | C15 | 69.2° | 180.0° |
| C11 | C12 | C13 | H13 | 44.9° | 60.0° |
| H111 | C11 | C12 | C13 | 147.4° | 59.9° |
| H111 | C11 | C12 | H121 | 87.4° | 180.0° |
| H111 | C11 | C12 | H122 | 22.1° | 60.1° |
| H112 | C11 | C12 | C13 | 37.9° | 60.0° |
| H112 | C11 | C12 | H121 | 163.1° | 60.1° |
| H112 | C11 | C12 | H122 | 87.4° | 180.0° |
| C13 | C12 | H121 | H122 | 115.9° | 119.9° |
| C12 | C13 | C14 | C15 | 132.6° | 120.1° |
| C12 | C13 | C14 | H13 | 112.9° | 119.9° |
| C12 | C13 | C15 | H13 | 112.9° | 120.0° |
| C12 | C13 | C14 | H141 | 180.0° | 60.1° |
| C12 | C13 | C14 | H142 | 54.8° | 179.9° |
| C12 | C13 | C14 | H143 | 54.7° | 60.0° |
| C12 | C13 | C15 | C16 | 72.7° | 180.0° |
| C12 | C13 | C15 | H151 | 52.6° | 59.9° |
| C12 | C13 | C15 | H152 | 162.0° | 60.0° |
| H121 | C12 | C13 | C14 | 33.6° | 179.9° |
| H121 | C12 | C13 | C15 | 165.6° | 59.9° |
| H121 | C12 | C13 | H13 | 80.4° | 60.1° |
| H122 | C12 | C13 | C14 | 75.9° | 60.1° |
| H122 | C12 | C13 | C15 | 56.1° | 60.0° |
| H122 | C12 | C13 | H13 | 170.1° | 180.0° |
| C14 | C13 | C15 | H13 | 114.4° | 119.9° |
| C13 | C14 | H141 | H142 | 125.2° | 120.0° |
| C13 | C14 | H141 | H143 | 125.3° | 120.0° |
| C13 | C14 | H142 | H143 | 116.3° | 120.0° |
| C14 | C13 | C15 | C16 | 60.0° | 59.9° |
| C14 | C13 | C15 | H151 | 174.7° | 180.0° |
| C14 | C13 | C15 | H152 | 65.3° | 60.1° |
| C15 | C13 | C14 | H141 | 47.4° | 60.0° |
| C15 | C13 | C14 | H142 | 172.6° | 59.9° |
| C15 | C13 | C14 | H143 | 77.9° | 179.9° |
| C13 | C15 | C16 | H151 | 125.3° | 120.0° |
| C13 | C15 | C16 | H152 | 125.3° | 120.0° |
| C13 | C15 | H151 | H152 | 116.1° | 119.9° |
| C13 | C15 | C16 | C17 | 166.6° | 180.0° |
| C13 | C15 | C16 | H161 | 68.2° | 59.9° |
| C13 | C15 | C16 | H162 | 41.3° | 60.0° |
| H13 | C13 | C14 | H141 | 67.1° | 180.0° |
| H13 | C13 | C14 | H142 | 58.2° | 60.0° |
| H13 | C13 | C14 | H143 | 167.7° | 60.0° |
| H13 | C13 | C15 | C16 | 174.4° | 60.0° |
| H13 | C13 | C15 | H151 | 60.3° | 60.1° |
| H13 | C13 | C15 | H152 | 49.0° | 180.0° |
| H141 | C14 | H142 | H143 | 116.3° | 120.1° |
| C16 | C15 | H151 | H152 | 116.2° | 120.0° |
| C15 | C16 | C17 | H161 | 125.2° | 120.1° |
| C15 | C16 | C17 | H162 | 125.2° | 120.0° |
| C15 | C16 | H161 | H162 | 117.1° | 120.0° |
| C15 | C16 | C17 | C18 | 109.3° | 180.0° |
| C15 | C16 | C17 | H171 | 125.3° | 59.9° |
| C15 | C16 | C17 | H172 | 15.9° | 60.0° |
| H151 | C15 | C16 | C17 | 41.3° | 60.0° |
| H151 | C15 | C16 | H161 | 166.6° | 180.0° |
| H151 | C15 | C16 | H162 | 83.9° | 60.0° |
| H152 | C15 | C16 | C17 | 68.1° | 60.0° |
| H152 | C15 | C16 | H161 | 57.1° | 60.0° |
| H152 | C15 | C16 | H162 | 166.6° | 180.0° |
| C17 | C16 | H161 | H162 | 117.2° | 120.0° |
| C16 | C17 | C18 | H171 | 125.3° | 120.0° |
| C16 | C17 | C18 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H172 | 115.7° | 119.9° |
| C16 | C17 | C18 | C19 | 167.1° | 180.0° |
| C16 | C17 | C18 | C20 | 38.4° | 60.0° |
| C16 | C17 | C18 | H18 | 75.4° | 60.0° |
| H161 | C16 | C17 | C18 | 15.9° | 59.9° |
| H161 | C16 | C17 | H171 | 109.4° | 180.0° |
| H161 | C16 | C17 | H172 | 141.1° | 60.1° |
| H162 | C16 | C17 | C18 | 125.4° | 60.0° |
| H162 | C16 | C17 | H171 | 0.1° | 60.1° |
| H162 | C16 | C17 | H172 | 109.3° | 180.0° |
| C18 | C17 | H171 | H172 | 115.6° | 120.0° |
| C17 | C18 | C19 | C20 | 130.6° | 120.0° |
| C17 | C18 | C19 | H18 | 115.0° | 120.1° |
| C17 | C18 | C20 | H18 | 114.2° | 120.1° |
| C17 | C18 | C19 | H191 | 180.0° | 180.0° |
| C17 | C18 | C19 | H192 | 54.7° | 60.1° |
| C17 | C18 | C19 | H193 | 54.7° | 60.0° |
| C17 | C18 | C20 | H201 | 180.0° | 60.0° |
| C17 | C18 | C20 | H202 | 54.8° | 60.0° |
| C17 | C18 | C20 | H203 | 54.7° | 180.0° |
| H171 | C17 | C18 | C19 | 67.6° | 60.0° |
| H171 | C17 | C18 | C20 | 163.7° | 60.0° |
| H171 | C17 | C18 | H18 | 50.0° | 180.0° |
| H172 | C17 | C18 | C19 | 41.8° | 60.0° |
| H172 | C17 | C18 | C20 | 86.9° | 180.0° |
| H172 | C17 | C18 | H18 | 159.4° | 60.0° |
| C19 | C18 | C20 | H18 | 117.4° | 120.0° |
| C18 | C19 | H191 | H192 | 125.3° | 120.0° |
| C18 | C19 | H191 | H193 | 125.3° | 120.1° |
| C18 | C19 | H192 | H193 | 117.5° | 120.1° |
| C19 | C18 | C20 | H201 | 51.6° | 60.0° |
| C19 | C18 | C20 | H202 | 73.7° | 180.0° |
| C19 | C18 | C20 | H203 | 176.9° | 60.1° |
| C20 | C18 | C19 | H191 | 49.4° | 60.0° |
| C20 | C18 | C19 | H192 | 174.6° | 180.0° |
| C20 | C18 | C19 | H193 | 75.9° | 60.0° |
| C18 | C20 | H201 | H202 | 125.2° | 120.0° |
| C18 | C20 | H201 | H203 | 125.3° | 120.0° |
| C18 | C20 | H202 | H203 | 115.9° | 120.0° |
| H18 | C18 | C19 | H191 | 65.1° | 60.0° |
| H18 | C18 | C19 | H192 | 60.2° | 60.0° |
| H18 | C18 | C19 | H193 | 169.7° | 180.0° |
| H18 | C18 | C20 | H201 | 65.8° | 180.0° |
| H18 | C18 | C20 | H202 | 168.9° | 60.0° |
| H18 | C18 | C20 | H203 | 59.5° | 59.9° |
| H191 | C19 | H192 | H193 | 117.4° | 119.9° |
| H201 | C20 | H202 | H203 | 115.9° | 120.0° |
| O31 | C31 | C32 | H311 | 125.2° | 120.0° |
| O31 | C31 | C32 | H312 | 125.2° | 120.0° |
| O31 | C31 | H311 | H312 | 112.9° | 120.0° |
| O31 | C31 | C32 | C33 | 72.6° | 180.0° |
| O31 | C31 | C32 | H321 | 52.6° | 60.0° |
| O31 | C31 | C32 | H322 | 162.1° | 59.9° |
| C31 | O31 | C52 | C51 | 89.3° | 150.0° |
| C31 | O31 | C52 | C53 | 55.6° | 89.9° |
| C31 | O31 | C52 | H52 | 163.4° | 30.0° |
| C52 | O31 | C31 | C32 | 151.2° | 180.0° |
| C52 | O31 | C31 | H311 | 83.5° | 60.0° |
| C52 | O31 | C31 | H312 | 26.0° | 60.0° |
| O31 | C52 | C51 | C53 | 146.3° | 120.1° |
| O31 | C52 | C51 | H52 | 103.1° | 120.0° |
| O31 | C52 | C51 | H511 | 54.0° | 180.0° |
| O31 | C52 | C51 | H512 | 55.5° | 60.0° |
| O31 | C52 | C53 | H52 | 103.4° | 120.0° |
| O31 | C52 | C53 | H531 | 180.0° | 60.0° |
| O31 | C52 | C53 | H532 | 54.7° | 59.9° |
| O31 | C52 | C53 | H533 | 54.8° | 179.9° |
| C32 | C31 | H311 | H312 | 112.9° | 119.9° |
| C31 | C32 | C33 | H321 | 125.2° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.1° |
| C31 | C32 | H321 | H322 | 116.0° | 119.9° |
| C31 | C32 | C33 | C34 | 159.5° | 59.9° |
| C31 | C32 | C33 | C35 | 67.0° | 180.0° |
| C31 | C32 | C33 | H33 | 45.2° | 60.0° |
| H311 | C31 | C32 | C33 | 162.1° | 60.0° |
| H311 | C31 | C32 | H321 | 72.7° | 180.0° |
| H311 | C31 | C32 | H322 | 36.9° | 60.1° |
| H312 | C31 | C32 | C33 | 52.6° | 59.9° |
| H312 | C31 | C32 | H321 | 177.8° | 60.0° |
| H312 | C31 | C32 | H322 | 72.7° | 180.0° |
| C33 | C32 | H321 | H322 | 116.0° | 120.0° |
| C32 | C33 | C34 | C35 | 133.9° | 120.1° |
| C32 | C33 | C34 | H33 | 113.7° | 119.9° |
| C32 | C33 | C35 | H33 | 113.1° | 120.0° |
| C32 | C33 | C34 | H341 | 180.0° | 60.0° |
| C32 | C33 | C34 | H342 | 54.8° | 179.9° |
| C32 | C33 | C34 | H343 | 54.7° | 59.9° |
| C32 | C33 | C35 | C36 | 146.0° | 180.0° |
| C32 | C33 | C35 | H351 | 88.7° | 60.0° |
| C32 | C33 | C35 | H352 | 20.8° | 60.0° |
| H321 | C32 | C33 | C34 | 34.3° | 60.0° |
| H321 | C32 | C33 | C35 | 167.8° | 60.0° |
| H321 | C32 | C33 | H33 | 80.1° | 180.0° |
| H322 | C32 | C33 | C34 | 75.2° | 180.0° |
| H322 | C32 | C33 | C35 | 58.3° | 59.9° |
| H322 | C32 | C33 | H33 | 170.4° | 60.1° |
| C34 | C33 | C35 | H33 | 114.0° | 120.0° |
| C33 | C34 | H341 | H342 | 125.2° | 120.0° |
| C33 | C34 | H341 | H343 | 125.3° | 120.0° |
| C33 | C34 | H342 | H343 | 116.8° | 120.0° |
| C34 | C33 | C35 | C36 | 81.1° | 60.0° |
| C34 | C33 | C35 | H351 | 44.1° | 60.1° |
| C34 | C33 | C35 | H352 | 153.7° | 180.0° |
| C35 | C33 | C34 | H341 | 46.1° | 60.1° |
| C35 | C33 | C34 | H342 | 171.3° | 60.0° |
| C35 | C33 | C34 | H343 | 79.2° | 180.0° |
| C33 | C35 | C36 | H351 | 125.3° | 120.0° |
| C33 | C35 | C36 | H352 | 125.2° | 120.0° |
| C33 | C35 | H351 | H352 | 115.9° | 120.0° |
| C33 | C35 | C36 | C37 | 113.1° | 180.0° |
| C33 | C35 | C36 | H361 | 12.2° | 60.0° |
| C33 | C35 | C36 | H362 | 121.6° | 60.0° |
| H33 | C33 | C34 | H341 | 66.2° | 180.0° |
| H33 | C33 | C34 | H342 | 59.0° | 60.0° |
| H33 | C33 | C34 | H343 | 168.4° | 60.0° |
| H33 | C33 | C35 | C36 | 32.9° | 60.0° |
| H33 | C33 | C35 | H351 | 158.1° | 180.0° |
| H33 | C33 | C35 | H352 | 92.4° | 60.0° |
| H341 | C34 | H342 | H343 | 116.9° | 120.0° |
| C36 | C35 | H351 | H352 | 115.9° | 120.0° |
| C35 | C36 | C37 | H361 | 125.3° | 120.0° |
| C35 | C36 | C37 | H362 | 125.3° | 120.0° |
| C35 | C36 | H361 | H362 | 116.6° | 120.0° |
| C35 | C36 | C37 | C38 | 172.8° | 180.0° |
| C35 | C36 | C37 | H371 | 61.9° | 60.0° |
| C35 | C36 | C37 | H372 | 47.6° | 59.9° |
| H351 | C35 | C36 | C37 | 121.7° | 60.0° |
| H351 | C35 | C36 | H361 | 113.1° | 180.0° |
| H351 | C35 | C36 | H362 | 3.6° | 60.0° |
| H352 | C35 | C36 | C37 | 12.1° | 60.0° |
| H352 | C35 | C36 | H361 | 137.4° | 60.0° |
| H352 | C35 | C36 | H362 | 113.1° | 180.0° |
| C37 | C36 | H361 | H362 | 116.5° | 120.0° |
| C36 | C37 | C38 | H371 | 125.3° | 120.0° |
| C36 | C37 | C38 | H372 | 125.3° | 120.1° |
| C36 | C37 | H371 | H372 | 115.3° | 120.0° |
| C36 | C37 | C38 | C39 | 54.4° | 59.9° |
| C36 | C37 | C38 | C40 | 175.6° | NaN° |
| C36 | C37 | C38 | H38 | 60.4° | 60.0° |
| H361 | C36 | C37 | C38 | 47.6° | 60.1° |
| H361 | C36 | C37 | H371 | 172.8° | 180.0° |
| H361 | C36 | C37 | H372 | 77.7° | 60.0° |
| H362 | C36 | C37 | C38 | 61.9° | 59.9° |
| H362 | C36 | C37 | H371 | 63.4° | 60.0° |
| H362 | C36 | C37 | H372 | 172.9° | 180.0° |
| C38 | C37 | H371 | H372 | 115.2° | 120.0° |
| C37 | C38 | C39 | C40 | 129.9° | 120.1° |
| C37 | C38 | C39 | H38 | 115.0° | 119.9° |
| C37 | C38 | C40 | H38 | 115.1° | 119.9° |
| C37 | C38 | C39 | H391 | 180.0° | 60.1° |
| C37 | C38 | C39 | H392 | 54.8° | 179.9° |
| C37 | C38 | C39 | H393 | 54.8° | 59.9° |
| C37 | C38 | C40 | C41 | 167.6° | 180.0° |
| C37 | C38 | C40 | H401 | 67.2° | 60.1° |
| C37 | C38 | C40 | H402 | 42.3° | 60.0° |
| H371 | C37 | C38 | C39 | 70.9° | 60.1° |
| H371 | C37 | C38 | C40 | 59.1° | 60.0° |
| H371 | C37 | C38 | H38 | 174.3° | 180.0° |
| H372 | C37 | C38 | C39 | 179.7° | 180.0° |
| H372 | C37 | C38 | C40 | 50.3° | 59.9° |
| H372 | C37 | C38 | H38 | 64.9° | 60.1° |
| C39 | C38 | C40 | H38 | 114.8° | 120.0° |
| C38 | C39 | H391 | H392 | 125.2° | 119.9° |
| C38 | C39 | H391 | H393 | 125.3° | 120.1° |
| C38 | C39 | H392 | H393 | 116.7° | 120.0° |
| C39 | C38 | C40 | C41 | 62.3° | 60.0° |
| C39 | C38 | C40 | H401 | 62.9° | 60.0° |
| C39 | C38 | C40 | H402 | 172.5° | 180.0° |
| C40 | C38 | C39 | H391 | 50.1° | 60.0° |
| C40 | C38 | C39 | H392 | 175.3° | 60.0° |
| C40 | C38 | C39 | H393 | 75.1° | 180.0° |
| C38 | C40 | C41 | H401 | 125.3° | 120.0° |
| C38 | C40 | C41 | H402 | 125.3° | 120.0° |
| C38 | C40 | H401 | H402 | 115.8° | 120.0° |
| C38 | C40 | C41 | C42 | 136.9° | 180.0° |
| C38 | C40 | C41 | H411 | 97.8° | 60.0° |
| C38 | C40 | C41 | H412 | 11.7° | 60.0° |
| H38 | C38 | C39 | H391 | 65.0° | 180.0° |
| H38 | C38 | C39 | H392 | 60.2° | 60.1° |
| H38 | C38 | C39 | H393 | 169.7° | 59.9° |
| H38 | C38 | C40 | C41 | 52.5° | 60.0° |
| H38 | C38 | C40 | H401 | 177.7° | 180.0° |
| H38 | C38 | C40 | H402 | 72.7° | 60.0° |
| H391 | C39 | H392 | H393 | 116.7° | 120.0° |
| C41 | C40 | H401 | H402 | 115.7° | 120.0° |
| C40 | C41 | C42 | H411 | 125.3° | 120.0° |
| C40 | C41 | C42 | H412 | 125.3° | 120.0° |
| C40 | C41 | H411 | H412 | 116.1° | 120.0° |
| C40 | C41 | C42 | C43 | 118.3° | 180.0° |
| C40 | C41 | C42 | H421 | 116.5° | 60.0° |
| C40 | C41 | C42 | H422 | 7.0° | 60.0° |
| H401 | C40 | C41 | C42 | 11.6° | 60.0° |
| H401 | C40 | C41 | H411 | 136.9° | 180.0° |
| H401 | C40 | C41 | H412 | 113.6° | 60.0° |
| H402 | C40 | C41 | C42 | 97.8° | 60.0° |
| H402 | C40 | C41 | H411 | 27.5° | 60.0° |
| H402 | C40 | C41 | H412 | 136.9° | 180.0° |
| C42 | C41 | H411 | H412 | 116.1° | 120.0° |
| C41 | C42 | C43 | H421 | 125.2° | 120.0° |
| C41 | C42 | C43 | H422 | 125.3° | 120.0° |
| C41 | C42 | H421 | H422 | 115.5° | 120.0° |
| C41 | C42 | C43 | C44 | 41.4° | 60.0° |
| C41 | C42 | C43 | C45 | 174.2° | 180.0° |
| C41 | C42 | C43 | H43 | 72.3° | 60.0° |
| H411 | C41 | C42 | C43 | 7.0° | 60.0° |
| H411 | C41 | C42 | H421 | 118.2° | 180.0° |
| H411 | C41 | C42 | H422 | 132.3° | 60.0° |
| H412 | C41 | C42 | C43 | 116.5° | 60.0° |
| H412 | C41 | C42 | H421 | 8.8° | 59.9° |
| H412 | C41 | C42 | H422 | 118.3° | 180.0° |
| C43 | C42 | H421 | H422 | 115.4° | 120.0° |
| C42 | C43 | C44 | C45 | 133.8° | 120.1° |
| C42 | C43 | C44 | H43 | 112.1° | 120.0° |
| C42 | C43 | C45 | H43 | 112.0° | 120.0° |
| C42 | C43 | C44 | H441 | 180.0° | 60.0° |
| C42 | C43 | C44 | H442 | 54.8° | 180.0° |
| C42 | C43 | C44 | H443 | 54.8° | 60.0° |
| C42 | C43 | C45 | C46 | 41.1° | 180.0° |
| C42 | C43 | C45 | H451 | 84.2° | 60.0° |
| C42 | C43 | C45 | H452 | 166.4° | 60.0° |
| H421 | C42 | C43 | C44 | 83.8° | 60.0° |
| H421 | C42 | C43 | C45 | 48.9° | 60.0° |
| H421 | C42 | C43 | H43 | 162.5° | 180.0° |
| H422 | C42 | C43 | C44 | 166.7° | 180.0° |
| H422 | C42 | C43 | C45 | 60.5° | 60.0° |
| H422 | C42 | C43 | H43 | 53.0° | 60.0° |
| C44 | C43 | C45 | H43 | 114.3° | 119.9° |
| C43 | C44 | H441 | H442 | 125.3° | 120.0° |
| C43 | C44 | H441 | H443 | 125.3° | 120.0° |
| C43 | C44 | H442 | H443 | 116.2° | 120.0° |
| C44 | C43 | C45 | C46 | 92.6° | 59.9° |
| C44 | C43 | C45 | H451 | 142.1° | 60.1° |
| C44 | C43 | C45 | H452 | 32.7° | 180.0° |
| C45 | C43 | C44 | H441 | 46.2° | 60.1° |
| C45 | C43 | C44 | H442 | 171.5° | 59.9° |
| C45 | C43 | C44 | H443 | 79.0° | 179.9° |
| C43 | C45 | C46 | H451 | 125.3° | 120.0° |
| C43 | C45 | C46 | H452 | 125.3° | 120.0° |
| C43 | C45 | H451 | H452 | 115.6° | 119.9° |
| C43 | C45 | C46 | C47 | 145.6° | 180.0° |
| C43 | C45 | C46 | H461 | 20.3° | 60.0° |
| C43 | C45 | C46 | H462 | 89.2° | 59.9° |
| H43 | C43 | C44 | H441 | 67.9° | 180.0° |
| H43 | C43 | C44 | H442 | 57.3° | 60.0° |
| H43 | C43 | C44 | H443 | 166.8° | 60.0° |
| H43 | C43 | C45 | C46 | 153.2° | 60.0° |
| H43 | C43 | C45 | H451 | 27.9° | 180.0° |
| H43 | C43 | C45 | H452 | 81.6° | 60.0° |
| H441 | C44 | H442 | H443 | 116.1° | 120.0° |
| C46 | C45 | H451 | H452 | 115.6° | 120.0° |
| C45 | C46 | C47 | H461 | 125.2° | 120.0° |
| C45 | C46 | C47 | H462 | 125.3° | 120.1° |
| C45 | C46 | H461 | H462 | 116.0° | 120.0° |
| C45 | C46 | C47 | C48 | 135.6° | 180.0° |
| C45 | C46 | C47 | H471 | 10.3° | 60.0° |
| C45 | C46 | C47 | H472 | 99.1° | 60.0° |
| H451 | C45 | C46 | C47 | 89.1° | 60.0° |
| H451 | C45 | C46 | H461 | 145.6° | 180.0° |
| H451 | C45 | C46 | H462 | 36.1° | 60.1° |
| H452 | C45 | C46 | C47 | 20.3° | 60.0° |
| H452 | C45 | C46 | H461 | 104.9° | 60.0° |
| H452 | C45 | C46 | H462 | 145.6° | 179.9° |
| C47 | C46 | H461 | H462 | 116.1° | 120.0° |
| C46 | C47 | C48 | H471 | 125.3° | 120.0° |
| C46 | C47 | C48 | H472 | 125.3° | 120.0° |
| C46 | C47 | H471 | H472 | 115.3° | 120.0° |
| C46 | C47 | C48 | C49 | 179.0° | NaN° |
| C46 | C47 | C48 | C50 | 50.0° | 60.0° |
| C46 | C47 | C48 | H48 | 64.0° | 60.0° |
| H461 | C46 | C47 | C48 | 99.1° | 60.0° |
| H461 | C46 | C47 | H471 | 135.6° | NaN° |
| H461 | C46 | C47 | H472 | 26.1° | 60.0° |
| H462 | C46 | C47 | C48 | 10.4° | 60.0° |
| H462 | C46 | C47 | H471 | 114.9° | 60.1° |
| H462 | C46 | C47 | H472 | 135.6° | 180.0° |
| C48 | C47 | H471 | H472 | 115.3° | 120.0° |
| C47 | C48 | C49 | C50 | 132.2° | 120.0° |
| C47 | C48 | C49 | H48 | 113.2° | 120.0° |
| C47 | C48 | C50 | H48 | 112.9° | 120.0° |
| C47 | C48 | C49 | H491 | 180.0° | 180.0° |
| C47 | C48 | C49 | H492 | 54.7° | 60.0° |
| C47 | C48 | C49 | H493 | 54.7° | 60.0° |
| C47 | C48 | C50 | H501 | 180.0° | 60.0° |
| C47 | C48 | C50 | H502 | 54.7° | 60.0° |
| C47 | C48 | C50 | H503 | 54.7° | 180.0° |
| H471 | C47 | C48 | C49 | 53.7° | 60.0° |
| H471 | C47 | C48 | C50 | 175.2° | 180.0° |
| H471 | C47 | C48 | H48 | 61.2° | 60.0° |
| H472 | C47 | C48 | C49 | 55.8° | 60.0° |
| H472 | C47 | C48 | C50 | 75.3° | 60.0° |
| H472 | C47 | C48 | H48 | 170.7° | 180.0° |
| C49 | C48 | C50 | H48 | 115.3° | 119.9° |
| C48 | C49 | H491 | H492 | 125.3° | 120.0° |
| C48 | C49 | H491 | H493 | 125.2° | 120.1° |
| C48 | C49 | H492 | H493 | 116.5° | 120.0° |
| C49 | C48 | C50 | H501 | 48.2° | 60.1° |
| C49 | C48 | C50 | H502 | 77.1° | 180.0° |
| C49 | C48 | C50 | H503 | 173.5° | 60.0° |
| C50 | C48 | C49 | H491 | 47.7° | 60.0° |
| C50 | C48 | C49 | H492 | 173.1° | 180.0° |
| C50 | C48 | C49 | H493 | 77.5° | 60.1° |
| C48 | C50 | H501 | H502 | 125.2° | 119.9° |
| C48 | C50 | H501 | H503 | 125.3° | 120.0° |
| C48 | C50 | H502 | H503 | 116.1° | 120.0° |
| H48 | C48 | C49 | H491 | 66.9° | 60.0° |
| H48 | C48 | C49 | H492 | 58.5° | 60.0° |
| H48 | C48 | C49 | H493 | 167.9° | 180.0° |
| H48 | C48 | C50 | H501 | 67.1° | 180.0° |
| H48 | C48 | C50 | H502 | 167.6° | 60.1° |
| H48 | C48 | C50 | H503 | 58.2° | 60.0° |
| H491 | C49 | H492 | H493 | 116.5° | 119.9° |
| H501 | C50 | H502 | H503 | 116.3° | 120.1° |
| C52 | C51 | H511 | H512 | 112.2° | 120.0° |
| C51 | C52 | C53 | H52 | 110.2° | 120.0° |
| C51 | C52 | C53 | H531 | 33.5° | 60.0° |
| C51 | C52 | C53 | H532 | 91.7° | 179.9° |
| C51 | C52 | C53 | H533 | 158.8° | 59.9° |
| H511 | C51 | C52 | C53 | 92.3° | 59.9° |
| H511 | C51 | C52 | H52 | 157.1° | 60.1° |
| H512 | C51 | C52 | C53 | 158.2° | 60.0° |
| H512 | C51 | C52 | H52 | 47.6° | 180.0° |
| C52 | C53 | H531 | H532 | 125.2° | 120.0° |
| C52 | C53 | H531 | H533 | 125.2° | 120.0° |
| C52 | C53 | H532 | H533 | 114.8° | 120.1° |
| H52 | C52 | C53 | H531 | 76.6° | 180.0° |
| H52 | C52 | C53 | H532 | 158.1° | 60.1° |
| H52 | C52 | C53 | H533 | 48.6° | 60.1° |
| H531 | C53 | H532 | H533 | 114.8° | 119.9° |
