A1JMM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C06 | sing | 1.53Å | 1.58Å | |
| C08 | C07 | sing | 1.53Å | 1.58Å | |
| C09 | C08 | sing | 1.53Å | 1.57Å | |
| C10 | C09 | sing | 1.53Å | 1.57Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C15 | C14 | sing | 1.53Å | 1.57Å | |
| C16 | C15 | sing | 1.51Å | 1.55Å | |
| O17 | C16 | doub | 1.21Å | 1.19Å | |
| O18 | C16 | sing | 1.34Å | 1.39Å | |
| C19 | O18 | sing | 1.45Å | 1.46Å | |
| C20 | C19 | sing | 1.53Å | 1.59Å | |
| O22 | C21 | sing | 1.43Å | 1.35Å | |
| P23 | O22 | sing | 1.61Å | 1.82Å | |
| O24 | P23 | doub | 1.48Å | 1.46Å | |
| O25 | P23 | sing | 1.61Å | 1.52Å | |
| O26 | P23 | sing | 1.61Å | 1.70Å | |
| C27 | O26 | sing | 1.43Å | 1.40Å | |
| C28 | C27 | sing | 1.53Å | 1.58Å | |
| O33 | C32 | sing | 1.43Å | 1.40Å | |
| C32 | C31 | sing | 1.53Å | 1.61Å | |
| O34 | C31 | sing | 1.43Å | 1.34Å | |
| P35 | O34 | sing | 1.61Å | 1.88Å | |
| O36 | P35 | doub | 1.48Å | 1.51Å | |
| O37 | P35 | sing | 1.61Å | 1.51Å | |
| O38 | P35 | sing | 1.61Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.58Å | |
| O39 | C30 | sing | 1.43Å | 1.40Å | |
| C30 | C29 | sing | 1.53Å | 1.56Å | |
| O40 | C29 | sing | 1.43Å | 1.42Å | |
| C29 | C28 | sing | 1.53Å | 1.56Å | |
| O41 | C28 | sing | 1.43Å | 1.40Å | |
| C21 | C20 | sing | 1.53Å | 1.64Å | |
| O42 | C20 | sing | 1.45Å | 1.42Å | |
| C43 | O42 | sing | 1.34Å | 1.38Å | |
| O44 | C43 | doub | 1.21Å | 1.18Å | |
| C45 | C43 | sing | 1.51Å | 1.54Å | |
| C46 | C45 | sing | 1.53Å | 1.54Å | |
| C47 | C46 | sing | 1.53Å | 1.55Å | |
| C48 | C47 | sing | 1.53Å | 1.56Å | |
| C49 | C48 | sing | 1.53Å | 1.57Å | |
| C50 | C49 | sing | 1.53Å | 1.60Å | |
| C51 | C50 | sing | 1.53Å | 1.60Å | |
| C52 | C51 | sing | 1.53Å | 1.60Å | |
| C53 | C52 | sing | 1.53Å | 1.61Å | |
| C54 | C53 | sing | 1.53Å | 1.58Å | |
| C55 | C54 | sing | 1.53Å | 1.58Å | |
| C56 | C55 | sing | 1.53Å | 1.58Å | |
| C57 | C56 | sing | 1.53Å | 1.56Å | |
| C58 | C57 | sing | 1.53Å | 1.55Å | |
| C59 | C58 | sing | 1.53Å | 1.54Å | |
| C27 | C32 | sing | 1.53Å | 1.58Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C46 | H462 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C57 | H571 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C59 | H593 | sing | 1.09Å | 1.10Å | |
| O25 | H2 | sing | 0.97Å | 0.95Å | |
| O33 | H331 | sing | 0.97Å | 0.95Å | |
| O37 | H3 | sing | 0.97Å | 0.95Å | |
| O38 | H4 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å | |
| O40 | H401 | sing | 0.97Å | 0.95Å | |
| O41 | H411 | sing | 0.97Å | 0.95Å | |
| C06 | C05 | sing | 1.53Å | 212.16Å | |
| C05 | C04 | sing | 1.53Å | 0.00Å | |
| C04 | C03 | sing | 1.53Å | 0.00Å | |
| C03 | C02 | sing | 1.53Å | 0.00Å | |
| C02 | C01 | sing | 1.53Å | 0.00Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C08 | H1 | sing | 1.09Å | 1.10Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C56 | H8 | sing | 1.09Å | 1.10Å | |
| C57 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 0.00Å | |
| C05 | H11 | sing | 1.09Å | 0.00Å | |
| C04 | H12 | sing | 1.09Å | 0.00Å | |
| C04 | H13 | sing | 1.09Å | 0.00Å | |
| C03 | H14 | sing | 1.09Å | 0.00Å | |
| C03 | H15 | sing | 1.09Å | 0.00Å | |
| C02 | H16 | sing | 1.09Å | 0.00Å | |
| C02 | H17 | sing | 1.09Å | 0.00Å | |
| C01 | H18 | sing | 1.09Å | 0.00Å | |
| C01 | H19 | sing | 1.09Å | 0.00Å | |
| C01 | H20 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C07 | C08 | 118.0° | 109.5° |
| C07 | C06 | H061 | 117.6° | 109.4° |
| C07 | C06 | H062 | 117.6° | 109.4° |
| C06 | C07 | H071 | 107.3° | 109.5° |
| C06 | C07 | H072 | 107.3° | 109.5° |
| C07 | C06 | C05 | 73.1° | 109.4° |
| C07 | C08 | C09 | 117.4° | 109.5° |
| C08 | C07 | H071 | 107.3° | 109.5° |
| C08 | C07 | H072 | 107.3° | 109.5° |
| C07 | C08 | H081 | 107.4° | 109.5° |
| C07 | C08 | H1 | 107.4° | 109.5° |
| C08 | C09 | C10 | 117.8° | 109.5° |
| C09 | C08 | H081 | 107.5° | 109.4° |
| C08 | C09 | H091 | 107.4° | 109.5° |
| C09 | C08 | H1 | 107.5° | 109.5° |
| C08 | C09 | H6 | 107.3° | 109.5° |
| C09 | C10 | C11 | 117.2° | 109.5° |
| C09 | C10 | H101 | 107.5° | 109.5° |
| C09 | C10 | H102 | 107.5° | 109.5° |
| C10 | C09 | H091 | 107.4° | 109.5° |
| C10 | C09 | H6 | 107.4° | 109.5° |
| C10 | C11 | C12 | 116.6° | 109.5° |
| C11 | C10 | H101 | 107.5° | 109.5° |
| C11 | C10 | H102 | 107.5° | 109.5° |
| C10 | C11 | H111 | 107.7° | 109.5° |
| C10 | C11 | H112 | 107.7° | 109.5° |
| C11 | C12 | C13 | 116.6° | 109.5° |
| C12 | C11 | H111 | 107.7° | 109.5° |
| C12 | C11 | H112 | 107.7° | 109.5° |
| C11 | C12 | H121 | 107.6° | 109.5° |
| C11 | C12 | H7 | 107.6° | 109.5° |
| C12 | C13 | C14 | 117.7° | 109.4° |
| C12 | C13 | H131 | 107.4° | 109.5° |
| C13 | C12 | H121 | 107.7° | 109.5° |
| C12 | C13 | H5 | 107.3° | 109.4° |
| C13 | C12 | H7 | 107.7° | 109.5° |
| C13 | C14 | C15 | 115.6° | 109.4° |
| C14 | C13 | H131 | 107.4° | 109.5° |
| C13 | C14 | H141 | 107.9° | 109.5° |
| C13 | C14 | H142 | 107.9° | 109.4° |
| C14 | C13 | H5 | 107.4° | 109.5° |
| C14 | C15 | C16 | 115.0° | 109.5° |
| C15 | C14 | H141 | 107.9° | 109.4° |
| C15 | C14 | H142 | 107.9° | 109.5° |
| C14 | C15 | H151 | 108.1° | 109.5° |
| C14 | C15 | H152 | 108.1° | 109.5° |
| C15 | C16 | O17 | 122.6° | 120.0° |
| C15 | C16 | O18 | 117.1° | 120.0° |
| C16 | C15 | H151 | 108.1° | 109.5° |
| C16 | C15 | H152 | 108.1° | 109.5° |
| O17 | C16 | O18 | 120.3° | 120.0° |
| C16 | O18 | C19 | 117.8° | 117.0° |
| O18 | C19 | C20 | 115.6° | 109.5° |
| O18 | C19 | H191 | 107.9° | 109.5° |
| O18 | C19 | H192 | 107.9° | 109.5° |
| C19 | C20 | C21 | 110.6° | 109.5° |
| C19 | C20 | O42 | 104.8° | 109.5° |
| C20 | C19 | H191 | 107.9° | 109.5° |
| C20 | C19 | H192 | 107.9° | 109.4° |
| C19 | C20 | H201 | 108.9° | 109.5° |
| C21 | O22 | P23 | 123.7° | 123.0° |
| O22 | C21 | C20 | 115.4° | 109.5° |
| O22 | C21 | H211 | 108.0° | 109.5° |
| O22 | C21 | H212 | 108.0° | 109.5° |
| O22 | P23 | O24 | 104.0° | 109.4° |
| O22 | P23 | O25 | 97.9° | 109.5° |
| O22 | P23 | O26 | 111.1° | 109.5° |
| O24 | P23 | O25 | 122.6° | 109.5° |
| O24 | P23 | O26 | 112.3° | 109.5° |
| O25 | P23 | O26 | 107.7° | 109.5° |
| P23 | O25 | H2 | 109.5° | 114.0° |
| P23 | O26 | C27 | 124.4° | 123.0° |
| O26 | C27 | C28 | 109.6° | 109.5° |
| O26 | C27 | C32 | 115.9° | 109.4° |
| O26 | C27 | H271 | 108.6° | 109.5° |
| C27 | C28 | C29 | 112.1° | 109.5° |
| C27 | C28 | O41 | 106.6° | 109.5° |
| C28 | C27 | C32 | 109.4° | 109.5° |
| C28 | C27 | H271 | 106.4° | 109.4° |
| C27 | C28 | H281 | 110.0° | 109.4° |
| O33 | C32 | C31 | 111.3° | 109.4° |
| O33 | C32 | C27 | 108.7° | 109.5° |
| O33 | C32 | H321 | 109.6° | 109.5° |
| C32 | O33 | H331 | 109.5° | 114.1° |
| C32 | C31 | O34 | 110.0° | 109.5° |
| C32 | C31 | C30 | 108.4° | 109.5° |
| C31 | C32 | C27 | 112.9° | 109.5° |
| C32 | C31 | H311 | 107.7° | 109.4° |
| C31 | C32 | H321 | 106.9° | 109.5° |
| C31 | O34 | P35 | 123.8° | 123.0° |
| O34 | C31 | C30 | 111.2° | 109.5° |
| O34 | C31 | H311 | 111.4° | 109.5° |
| O34 | P35 | O36 | 104.9° | 109.5° |
| O34 | P35 | O37 | 102.1° | 109.5° |
| O34 | P35 | O38 | 99.7° | 109.5° |
| O36 | P35 | O37 | 114.7° | 109.5° |
| O36 | P35 | O38 | 115.9° | 109.4° |
| O37 | P35 | O38 | 116.4° | 109.5° |
| P35 | O37 | H3 | 109.5° | 114.0° |
| P35 | O38 | H4 | 109.5° | 114.0° |
| C31 | C30 | O39 | 109.5° | 109.5° |
| C31 | C30 | C29 | 112.1° | 109.5° |
| C31 | C30 | H301 | 109.7° | 109.5° |
| C30 | C31 | H311 | 108.0° | 109.5° |
| O39 | C30 | C29 | 103.1° | 109.5° |
| O39 | C30 | H301 | 112.3° | 109.5° |
| C30 | O39 | H391 | 109.5° | 114.0° |
| C30 | C29 | O40 | 109.5° | 109.5° |
| C30 | C29 | C28 | 111.5° | 109.5° |
| C30 | C29 | H291 | 109.1° | 109.5° |
| C29 | C30 | H301 | 110.1° | 109.5° |
| O40 | C29 | C28 | 106.7° | 109.5° |
| O40 | C29 | H291 | 111.0° | 109.5° |
| C29 | O40 | H401 | 109.5° | 114.0° |
| C29 | C28 | O41 | 105.1° | 109.5° |
| C29 | C28 | H281 | 110.2° | 109.4° |
| C28 | C29 | H291 | 109.0° | 109.4° |
| O41 | C28 | H281 | 112.6° | 109.5° |
| C28 | O41 | H411 | 109.5° | 114.0° |
| C21 | C20 | O42 | 112.9° | 109.4° |
| C21 | C20 | H201 | 108.3° | 109.5° |
| C20 | C21 | H211 | 108.0° | 109.5° |
| C20 | C21 | H212 | 108.0° | 109.4° |
| C20 | O42 | C43 | 117.4° | 117.0° |
| O42 | C20 | H201 | 111.3° | 109.5° |
| O42 | C43 | O44 | 122.5° | 120.0° |
| O42 | C43 | C45 | 113.2° | 120.0° |
| O44 | C43 | C45 | 124.2° | 120.0° |
| C43 | C45 | C46 | 118.6° | 109.5° |
| C43 | C45 | H451 | 107.2° | 109.5° |
| C43 | C45 | H452 | 107.2° | 109.5° |
| C45 | C46 | C47 | 114.5° | 109.5° |
| C46 | C45 | H451 | 107.2° | 109.5° |
| C46 | C45 | H452 | 107.1° | 109.5° |
| C45 | C46 | H461 | 108.2° | 109.5° |
| C45 | C46 | H462 | 108.2° | 109.5° |
| C46 | C47 | C48 | 117.6° | 109.5° |
| C47 | C46 | H461 | 108.2° | 109.5° |
| C47 | C46 | H462 | 108.2° | 109.4° |
| C46 | C47 | H471 | 107.4° | 109.5° |
| C46 | C47 | H472 | 107.4° | 109.4° |
| C47 | C48 | C49 | 117.4° | 109.5° |
| C48 | C47 | H471 | 107.4° | 109.5° |
| C48 | C47 | H472 | 107.4° | 109.5° |
| C47 | C48 | H481 | 107.4° | 109.5° |
| C47 | C48 | H482 | 107.4° | 109.5° |
| C48 | C49 | C50 | 115.8° | 109.5° |
| C49 | C48 | H481 | 107.4° | 109.5° |
| C49 | C48 | H482 | 107.4° | 109.5° |
| C48 | C49 | H491 | 107.8° | 109.4° |
| C48 | C49 | H492 | 107.9° | 109.5° |
| C49 | C50 | C51 | 114.7° | 109.5° |
| C50 | C49 | H491 | 107.9° | 109.5° |
| C50 | C49 | H492 | 107.8° | 109.5° |
| C49 | C50 | H501 | 108.2° | 109.4° |
| C49 | C50 | H502 | 108.2° | 109.4° |
| C50 | C51 | C52 | 144.6° | 109.5° |
| C51 | C50 | H501 | 108.1° | 109.5° |
| C51 | C50 | H502 | 108.1° | 109.5° |
| C50 | C51 | H511 | 100.1° | 109.5° |
| C50 | C51 | H512 | 100.1° | 109.5° |
| C51 | C52 | C53 | 116.1° | 109.5° |
| C52 | C51 | H511 | 100.1° | 109.4° |
| C52 | C51 | H512 | 100.1° | 109.4° |
| C51 | C52 | H521 | 107.8° | 109.4° |
| C51 | C52 | H522 | 107.8° | 109.4° |
| C52 | C53 | C54 | 114.1° | 109.5° |
| C53 | C52 | H521 | 107.8° | 109.5° |
| C53 | C52 | H522 | 107.8° | 109.5° |
| C52 | C53 | H531 | 108.3° | 109.5° |
| C52 | C53 | H532 | 108.3° | 109.5° |
| C53 | C54 | C55 | 119.2° | 109.5° |
| C54 | C53 | H531 | 108.3° | 109.5° |
| C54 | C53 | H532 | 108.3° | 109.4° |
| C53 | C54 | H541 | 107.0° | 109.5° |
| C53 | C54 | H542 | 107.0° | 109.5° |
| C54 | C55 | C56 | 116.9° | 109.4° |
| C55 | C54 | H541 | 107.0° | 109.5° |
| C55 | C54 | H542 | 107.0° | 109.4° |
| C54 | C55 | H551 | 107.6° | 109.5° |
| C54 | C55 | H552 | 107.6° | 109.4° |
| C55 | C56 | C57 | 117.2° | 109.4° |
| C56 | C55 | H551 | 107.6° | 109.5° |
| C56 | C55 | H552 | 107.6° | 109.5° |
| C55 | C56 | H561 | 107.5° | 109.5° |
| C55 | C56 | H8 | 107.5° | 109.5° |
| C56 | C57 | C58 | 116.7° | 109.5° |
| C57 | C56 | H561 | 107.5° | 109.4° |
| C56 | C57 | H571 | 107.6° | 109.4° |
| C57 | C56 | H8 | 107.5° | 109.5° |
| C56 | C57 | H9 | 107.6° | 109.5° |
| C57 | C58 | C59 | 115.0° | 109.5° |
| C58 | C57 | H571 | 107.6° | 109.5° |
| C57 | C58 | H581 | 108.1° | 109.5° |
| C57 | C58 | H582 | 108.1° | 109.5° |
| C58 | C57 | H9 | 107.6° | 109.5° |
| C59 | C58 | H581 | 108.1° | 109.5° |
| C59 | C58 | H582 | 108.1° | 109.4° |
| C58 | C59 | H591 | 109.5° | 109.5° |
| C58 | C59 | H592 | 109.4° | 109.4° |
| C58 | C59 | H593 | 109.5° | 109.5° |
| C32 | C27 | H271 | 106.4° | 109.5° |
| C27 | C32 | H321 | 107.3° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H131 | C13 | H5 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H061 | C06 | C05 | 117.6° | 109.5° |
| H062 | C06 | C05 | 117.7° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H1 | 109.5° | 109.5° |
| H091 | C09 | H6 | 109.4° | 109.5° |
| H121 | C12 | H7 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.4° |
| H461 | C46 | H462 | 109.5° | 109.5° |
| H471 | C47 | H472 | 109.4° | 109.4° |
| H481 | C48 | H482 | 109.5° | 109.4° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H511 | C51 | H512 | 109.5° | 109.5° |
| H521 | C52 | H522 | 109.5° | 109.5° |
| H531 | C53 | H532 | 109.5° | 109.4° |
| H541 | C54 | H542 | 109.4° | 109.4° |
| H551 | C55 | H552 | 109.5° | 109.5° |
| H561 | C56 | H8 | 109.4° | 109.5° |
| H571 | C57 | H9 | 109.5° | 109.5° |
| H581 | C58 | H582 | 109.5° | 109.5° |
| H591 | C59 | H592 | 109.5° | 109.4° |
| H591 | C59 | H593 | 109.5° | 109.5° |
| H592 | C59 | H593 | 109.5° | 109.4° |
| C06 | C05 | C04 | 90.0° | 109.4° |
| C06 | C05 | H10 | 90.0° | 109.5° |
| C06 | C05 | H11 | 90.0° | 109.5° |
| C05 | C04 | C03 | 90.0° | 109.5° |
| C04 | C05 | H10 | 90.0° | 109.5° |
| C04 | C05 | H11 | 90.0° | 109.5° |
| C05 | C04 | H12 | 90.0° | 109.5° |
| C05 | C04 | H13 | 90.0° | 109.5° |
| C04 | C03 | C02 | 90.0° | 109.5° |
| C03 | C04 | H12 | 90.0° | 109.4° |
| C03 | C04 | H13 | 90.0° | 109.5° |
| C04 | C03 | H14 | 90.0° | 109.4° |
| C04 | C03 | H15 | 90.0° | 109.5° |
| C03 | C02 | C01 | 90.0° | 109.5° |
| C02 | C03 | H14 | 90.0° | 109.5° |
| C02 | C03 | H15 | 90.0° | 109.5° |
| C03 | C02 | H16 | 90.0° | 109.5° |
| C03 | C02 | H17 | 90.0° | 109.5° |
| C01 | C02 | H16 | 90.0° | 109.4° |
| C01 | C02 | H17 | 90.0° | 109.5° |
| C02 | C01 | H18 | 90.0° | 109.5° |
| C02 | C01 | H19 | 90.0° | 109.4° |
| C02 | C01 | H20 | 90.0° | 109.5° |
| H10 | C05 | H11 | 90.0° | 109.5° |
| H12 | C04 | H13 | 90.0° | 109.5° |
| H14 | C03 | H15 | 90.0° | 109.5° |
| H16 | C02 | H17 | 90.0° | 109.5° |
| H18 | C01 | H19 | 90.0° | 109.4° |
| H18 | C01 | H20 | 90.0° | 109.5° |
| H19 | C01 | H20 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C07 | C08 | H071 | 121.2° | 120.0° |
| C06 | C07 | C08 | H072 | 121.2° | 120.0° |
| C06 | C07 | C08 | C09 | 141.3° | 180.0° |
| C07 | C06 | H061 | H062 | 137.8° | 120.0° |
| C07 | C06 | H061 | C05 | 84.4° | 119.9° |
| C07 | C06 | H062 | C05 | 84.4° | 120.0° |
| C06 | C07 | H071 | H072 | 116.1° | 120.0° |
| C06 | C07 | C08 | H081 | 20.2° | 60.0° |
| C07 | C06 | C05 | C04 | 90.0° | 180.0° |
| C06 | C07 | C08 | H1 | 97.5° | 60.0° |
| C07 | C06 | C05 | H10 | 90.0° | 60.0° |
| C07 | C06 | C05 | H11 | 90.0° | 60.0° |
| C07 | C08 | C09 | H081 | 121.1° | 120.0° |
| C07 | C08 | C09 | H1 | 121.1° | 120.0° |
| C07 | C08 | C09 | C10 | 163.2° | 180.0° |
| C08 | C07 | C06 | H061 | 16.1° | 60.0° |
| C08 | C07 | C06 | H062 | 118.2° | 60.0° |
| C08 | C07 | H071 | H072 | 116.1° | 120.0° |
| C07 | C08 | H081 | H1 | 116.4° | 120.0° |
| C07 | C08 | C09 | H091 | 75.5° | 60.0° |
| C08 | C07 | C06 | C05 | 128.9° | 180.0° |
| C07 | C08 | C09 | H6 | 42.0° | 60.0° |
| C08 | C09 | C10 | H091 | 121.2° | 120.0° |
| C08 | C09 | C10 | H6 | 121.2° | 120.0° |
| C08 | C09 | C10 | C11 | 117.4° | 180.0° |
| C08 | C09 | C10 | H101 | 3.8° | 60.0° |
| C08 | C09 | C10 | H102 | 121.5° | 60.0° |
| C09 | C08 | C07 | H071 | 97.4° | 60.0° |
| C09 | C08 | C07 | H072 | 20.1° | 60.0° |
| C09 | C08 | H081 | H1 | 116.4° | 120.0° |
| C08 | C09 | H091 | H6 | 116.2° | 120.0° |
| C09 | C10 | C11 | H101 | 121.1° | 120.0° |
| C09 | C10 | C11 | H102 | 121.1° | 120.0° |
| C09 | C10 | C11 | C12 | 148.9° | NaN° |
| C09 | C10 | H101 | H102 | 116.5° | 120.0° |
| C09 | C10 | C11 | H111 | 27.8° | 60.0° |
| C09 | C10 | C11 | H112 | 90.1° | 60.0° |
| C10 | C09 | C08 | H081 | 42.1° | 60.0° |
| C10 | C09 | H091 | H6 | 116.2° | 120.0° |
| C10 | C09 | C08 | H1 | 75.7° | 60.0° |
| C10 | C11 | C12 | H111 | 121.1° | 120.0° |
| C10 | C11 | C12 | H112 | 121.0° | 120.0° |
| C10 | C11 | C12 | C13 | 75.0° | 180.0° |
| C11 | C10 | H101 | H102 | 116.5° | 120.0° |
| C10 | C11 | H111 | H112 | 116.8° | 120.0° |
| C11 | C10 | C09 | H091 | 121.4° | 60.0° |
| C10 | C11 | C12 | H121 | 46.1° | 60.0° |
| C11 | C10 | C09 | H6 | 3.8° | 60.0° |
| C10 | C11 | C12 | H7 | 164.0° | 60.0° |
| C11 | C12 | C13 | H121 | 121.0° | 120.0° |
| C11 | C12 | C13 | H7 | 121.0° | 120.0° |
| C11 | C12 | C13 | C14 | 168.3° | 180.0° |
| C12 | C11 | C10 | H101 | 90.0° | 60.0° |
| C12 | C11 | C10 | H102 | 27.7° | 60.0° |
| C12 | C11 | H111 | H112 | 116.7° | 120.0° |
| C11 | C12 | C13 | H131 | 70.4° | 60.0° |
| C11 | C12 | H121 | H7 | 116.7° | 120.0° |
| C11 | C12 | C13 | H5 | 47.2° | 60.0° |
| C12 | C13 | C14 | H131 | 121.2° | 120.0° |
| C12 | C13 | C14 | H5 | 121.2° | 120.0° |
| C12 | C13 | C14 | C15 | 107.1° | 180.0° |
| C13 | C12 | C11 | H111 | 164.0° | 60.0° |
| C13 | C12 | C11 | H112 | 46.1° | 60.0° |
| C12 | C13 | H131 | H5 | 116.2° | 120.0° |
| C12 | C13 | C14 | H141 | 13.8° | 60.0° |
| C12 | C13 | C14 | H142 | 132.0° | 60.0° |
| C13 | C12 | H121 | H7 | 116.8° | 120.0° |
| C13 | C14 | C15 | H141 | 120.9° | 120.0° |
| C13 | C14 | C15 | H142 | 120.9° | 119.9° |
| C13 | C14 | C15 | C16 | 153.4° | 180.0° |
| C14 | C13 | H131 | H5 | 116.3° | 120.1° |
| C13 | C14 | H141 | H142 | 117.2° | 120.0° |
| C13 | C14 | C15 | H151 | 85.8° | 60.0° |
| C13 | C14 | C15 | H152 | 32.6° | 60.0° |
| C14 | C13 | C12 | H121 | 47.3° | 60.0° |
| C14 | C13 | C12 | H7 | 70.6° | 60.0° |
| C14 | C15 | C16 | H151 | 120.8° | 120.0° |
| C14 | C15 | C16 | H152 | 120.8° | 120.0° |
| C14 | C15 | C16 | O17 | 6.8° | 0.0° |
| C14 | C15 | C16 | O18 | 172.6° | 180.0° |
| C15 | C14 | C13 | H131 | 131.7° | 60.0° |
| C15 | C14 | H141 | H142 | 117.2° | 120.0° |
| C14 | C15 | H151 | H152 | 117.5° | 120.0° |
| C15 | C14 | C13 | H5 | 14.1° | 60.0° |
| C15 | C16 | O17 | O18 | 179.4° | 180.0° |
| C15 | C16 | O18 | C19 | 23.3° | 180.0° |
| C16 | C15 | C14 | H141 | 32.5° | 60.0° |
| C16 | C15 | C14 | H142 | 85.7° | 60.0° |
| C16 | C15 | H151 | H152 | 117.5° | 120.0° |
| O17 | C16 | O18 | C19 | 156.2° | 0.1° |
| O17 | C16 | C15 | H151 | 114.0° | 120.0° |
| O17 | C16 | C15 | H152 | 127.6° | 120.0° |
| C16 | O18 | C19 | C20 | 144.1° | 180.0° |
| O18 | C16 | C15 | H151 | 66.5° | 60.0° |
| O18 | C16 | C15 | H152 | 51.8° | 60.0° |
| C16 | O18 | C19 | H191 | 95.0° | 60.0° |
| C16 | O18 | C19 | H192 | 23.2° | 60.0° |
| O18 | C19 | C20 | H191 | 120.9° | 120.0° |
| O18 | C19 | C20 | H192 | 120.9° | 120.0° |
| O18 | C19 | C20 | C21 | 64.1° | 55.0° |
| O18 | C19 | C20 | O42 | 174.0° | 65.0° |
| O18 | C19 | H191 | H192 | 117.2° | 120.0° |
| O18 | C19 | C20 | H201 | 54.8° | 175.0° |
| C19 | C20 | C21 | O22 | 17.9° | 54.9° |
| C19 | C20 | C21 | O42 | 117.0° | 120.0° |
| C19 | C20 | C21 | H201 | 119.3° | 120.1° |
| C19 | C20 | O42 | H201 | 117.6° | 120.0° |
| C19 | C20 | O42 | C43 | 152.8° | 150.0° |
| C20 | C19 | H191 | H192 | 117.2° | 120.0° |
| C19 | C20 | C21 | H211 | 138.7° | 175.0° |
| C19 | C20 | C21 | H212 | 103.0° | 65.0° |
| C21 | O22 | P23 | O24 | 88.9° | 55.0° |
| C21 | O22 | P23 | O25 | 37.6° | 65.0° |
| C21 | O22 | P23 | O26 | 150.1° | 174.9° |
| O22 | C21 | C20 | H211 | 120.9° | 120.1° |
| O22 | C21 | C20 | H212 | 120.9° | 119.9° |
| O22 | C21 | C20 | O42 | 134.9° | 65.0° |
| O22 | C21 | C20 | H201 | 101.4° | 175.0° |
| O22 | C21 | H211 | H212 | 117.3° | 120.0° |
| O22 | P23 | O24 | O25 | 109.0° | 120.0° |
| O22 | P23 | O24 | O26 | 120.2° | 120.0° |
| O22 | P23 | O25 | O26 | 115.2° | 120.0° |
| O22 | P23 | O26 | C27 | 116.1° | 175.0° |
| P23 | O22 | C21 | C20 | 87.9° | 180.0° |
| P23 | O22 | C21 | H211 | 32.9° | 60.0° |
| P23 | O22 | C21 | H212 | 151.2° | 60.1° |
| O22 | P23 | O25 | H2 | 112.2° | 60.0° |
| O24 | P23 | O25 | O26 | 132.6° | 120.0° |
| O24 | P23 | O26 | C27 | 127.9° | 55.0° |
| O24 | P23 | O25 | H2 | 0.0° | 180.0° |
| O25 | P23 | O26 | C27 | 10.0° | 65.0° |
| P23 | O26 | C27 | C28 | 155.2° | 120.0° |
| P23 | O26 | C27 | C32 | 80.3° | 120.0° |
| P23 | O26 | C27 | H271 | 39.3° | 0.0° |
| O26 | P23 | O25 | H2 | 132.6° | 60.0° |
| O26 | C27 | C28 | C32 | 128.1° | 120.0° |
| O26 | C27 | C28 | H271 | 117.3° | 120.0° |
| O26 | C27 | C32 | O33 | 63.1° | 60.0° |
| O26 | C27 | C32 | C31 | 60.8° | 180.0° |
| O26 | C27 | C28 | C29 | 108.5° | 180.0° |
| O26 | C27 | C28 | O41 | 137.0° | 60.0° |
| O26 | C27 | C32 | H271 | 120.8° | 120.0° |
| O26 | C27 | C28 | H281 | 14.5° | 60.0° |
| O26 | C27 | C32 | H321 | 178.4° | 60.0° |
| C28 | C27 | C32 | O33 | 172.3° | 60.0° |
| C28 | C27 | C32 | C31 | 63.8° | 60.0° |
| C27 | C28 | C29 | C30 | 41.7° | 59.9° |
| C27 | C28 | C29 | O40 | 161.3° | 180.0° |
| C27 | C28 | C29 | O41 | 115.4° | 120.1° |
| C27 | C28 | C29 | H281 | 122.9° | 119.9° |
| C27 | C28 | O41 | H281 | 120.8° | 120.0° |
| C28 | C27 | C32 | H271 | 114.6° | 120.0° |
| C27 | C28 | C29 | H291 | 78.8° | 60.0° |
| C28 | C27 | C32 | H321 | 53.8° | 180.0° |
| C27 | C28 | O41 | H411 | 20.6° | 180.0° |
| O33 | C32 | C31 | C27 | 122.5° | 120.0° |
| O33 | C32 | C31 | H321 | 119.7° | 119.9° |
| O33 | C32 | C31 | O34 | 41.6° | 60.0° |
| O33 | C32 | C31 | C30 | 163.4° | 60.0° |
| O33 | C32 | C27 | H321 | 118.5° | 120.0° |
| O33 | C32 | C27 | H271 | 57.7° | 180.0° |
| O33 | C32 | C31 | H311 | 80.0° | 180.0° |
| C32 | C31 | O34 | C30 | 120.0° | 120.0° |
| C32 | C31 | O34 | H311 | 119.4° | 120.0° |
| C32 | C31 | O34 | P35 | 96.6° | 120.0° |
| C32 | C31 | C30 | H311 | 116.4° | 120.0° |
| C32 | C31 | C30 | O39 | 135.2° | 180.0° |
| C32 | C31 | C30 | C29 | 21.5° | 60.0° |
| C31 | C32 | C27 | H321 | 117.6° | 120.0° |
| C31 | C32 | C27 | H271 | 178.4° | 60.0° |
| C32 | C31 | C30 | H301 | 101.1° | 60.0° |
| C31 | C32 | O33 | H331 | 180.0° | 60.0° |
| C31 | O34 | P35 | O36 | 116.2° | 55.0° |
| C31 | O34 | P35 | O37 | 123.9° | 175.0° |
| C31 | O34 | P35 | O38 | 4.1° | 65.0° |
| O34 | C31 | C30 | H311 | 122.6° | 120.0° |
| O34 | C31 | C30 | O39 | 103.8° | 60.0° |
| O34 | C31 | C30 | C29 | 142.4° | 180.0° |
| O34 | C31 | C32 | C27 | 80.9° | 180.0° |
| O34 | C31 | C30 | H301 | 19.9° | 60.0° |
| O34 | C31 | C32 | H321 | 161.3° | 60.0° |
| O34 | P35 | O36 | O37 | 111.1° | 120.0° |
| O34 | P35 | O36 | O38 | 108.9° | 120.0° |
| O34 | P35 | O37 | O38 | 107.4° | 120.0° |
| P35 | O34 | C31 | C30 | 143.4° | 120.0° |
| P35 | O34 | C31 | H311 | 22.8° | 0.0° |
| O34 | P35 | O37 | H3 | 112.8° | 180.0° |
| O34 | P35 | O38 | H4 | 111.9° | 60.0° |
| O36 | P35 | O37 | O38 | 139.9° | 120.0° |
| O36 | P35 | O37 | H3 | 0.0° | 60.0° |
| O36 | P35 | O38 | H4 | 0.0° | 180.0° |
| O37 | P35 | O38 | H4 | 139.3° | 60.0° |
| O38 | P35 | O37 | H3 | 139.8° | 60.0° |
| C31 | C30 | O39 | C29 | 119.5° | 120.0° |
| C31 | C30 | O39 | H301 | 122.1° | 120.0° |
| C31 | C30 | C29 | H301 | 122.3° | 120.0° |
| C31 | C30 | C29 | O40 | 176.6° | 180.0° |
| C31 | C30 | C29 | C28 | 65.6° | 60.0° |
| C30 | C31 | C32 | C27 | 40.8° | 60.0° |
| C31 | C30 | C29 | H291 | 54.9° | 60.0° |
| C30 | C31 | C32 | H321 | 77.0° | 179.9° |
| C31 | C30 | O39 | H391 | 180.0° | 180.0° |
| O39 | C30 | C29 | H301 | 120.0° | 120.0° |
| O39 | C30 | C29 | O40 | 58.9° | 60.0° |
| O39 | C30 | C29 | C28 | 176.7° | 180.0° |
| O39 | C30 | C29 | H291 | 62.8° | 60.0° |
| O39 | C30 | C31 | H311 | 18.8° | 60.0° |
| C30 | C29 | O40 | C28 | 120.8° | 120.1° |
| C30 | C29 | O40 | H291 | 120.5° | 120.0° |
| C30 | C29 | C28 | H291 | 120.5° | 120.0° |
| C30 | C29 | C28 | O41 | 157.2° | 180.0° |
| C30 | C29 | C28 | H281 | 81.2° | 60.0° |
| C29 | C30 | C31 | H311 | 95.0° | 60.0° |
| C29 | C30 | O39 | H391 | 60.6° | 60.0° |
| C30 | C29 | O40 | H401 | 180.0° | 60.0° |
| O40 | C29 | C28 | H291 | 119.9° | 120.0° |
| O40 | C29 | C28 | O41 | 83.3° | 59.9° |
| O40 | C29 | C28 | H281 | 38.4° | 60.1° |
| O40 | C29 | C30 | H301 | 61.1° | 60.0° |
| C29 | C28 | O41 | H281 | 120.0° | 120.0° |
| C29 | C28 | C27 | C32 | 19.6° | 60.0° |
| C29 | C28 | C27 | H271 | 134.2° | 60.1° |
| C28 | C29 | C30 | H301 | 56.8° | 60.0° |
| C28 | C29 | O40 | H401 | 59.2° | 180.0° |
| C29 | C28 | O41 | H411 | 139.8° | 60.0° |
| O41 | C28 | C27 | C32 | 94.9° | 180.0° |
| O41 | C28 | C27 | H271 | 19.7° | 60.0° |
| O41 | C28 | C29 | H291 | 36.7° | 60.0° |
| C21 | C20 | O42 | H201 | 122.0° | 120.0° |
| C21 | C20 | O42 | C43 | 86.7° | 90.0° |
| C21 | C20 | C19 | H191 | 56.7° | 65.0° |
| C21 | C20 | C19 | H192 | 174.9° | 174.9° |
| C20 | C21 | H211 | H212 | 117.3° | 119.9° |
| C20 | O42 | C43 | O44 | 43.7° | 0.0° |
| C20 | O42 | C43 | C45 | 136.0° | 180.0° |
| O42 | C20 | C19 | H191 | 65.2° | 175.0° |
| O42 | C20 | C19 | H192 | 53.0° | 55.0° |
| O42 | C20 | C21 | H211 | 104.2° | 55.1° |
| O42 | C20 | C21 | H212 | 14.0° | 175.0° |
| O42 | C43 | O44 | C45 | 179.7° | 180.0° |
| O42 | C43 | C45 | C46 | 56.6° | 180.0° |
| C43 | O42 | C20 | H201 | 35.3° | 30.0° |
| O42 | C43 | C45 | H451 | 64.7° | 60.0° |
| O42 | C43 | C45 | H452 | 177.9° | 60.0° |
| O44 | C43 | C45 | C46 | 123.7° | 0.0° |
| O44 | C43 | C45 | H451 | 115.0° | 120.0° |
| O44 | C43 | C45 | H452 | 2.4° | 120.0° |
| C43 | C45 | C46 | H451 | 121.3° | 120.0° |
| C43 | C45 | C46 | H452 | 121.3° | 120.0° |
| C43 | C45 | C46 | C47 | 122.3° | 180.0° |
| C43 | C45 | H451 | H452 | 115.9° | 120.0° |
| C43 | C45 | C46 | H461 | 117.0° | 60.0° |
| C43 | C45 | C46 | H462 | 1.5° | 60.0° |
| C45 | C46 | C47 | H461 | 120.7° | 120.0° |
| C45 | C46 | C47 | H462 | 120.8° | 120.0° |
| C45 | C46 | C47 | C48 | 161.7° | 180.0° |
| C46 | C45 | H451 | H452 | 115.9° | 120.0° |
| C45 | C46 | H461 | H462 | 117.7° | 120.0° |
| C45 | C46 | C47 | H471 | 40.5° | 59.9° |
| C45 | C46 | C47 | H472 | 77.1° | 60.0° |
| C46 | C47 | C48 | H471 | 121.2° | 120.1° |
| C46 | C47 | C48 | H472 | 121.2° | 119.9° |
| C46 | C47 | C48 | C49 | 114.3° | 180.0° |
| C47 | C46 | C45 | H451 | 1.0° | 60.0° |
| C47 | C46 | C45 | H452 | 116.4° | 60.0° |
| C47 | C46 | H461 | H462 | 117.7° | 119.9° |
| C46 | C47 | H471 | H472 | 116.3° | 119.9° |
| C46 | C47 | C48 | H481 | 124.6° | 59.9° |
| C46 | C47 | C48 | H482 | 6.9° | 60.0° |
| C47 | C48 | C49 | H481 | 121.1° | 120.0° |
| C47 | C48 | C49 | H482 | 121.1° | 120.1° |
| C47 | C48 | C49 | C50 | 139.8° | 180.0° |
| C48 | C47 | C46 | H461 | 77.6° | 60.0° |
| C48 | C47 | C46 | H462 | 41.0° | 60.0° |
| C48 | C47 | H471 | H472 | 116.3° | 120.0° |
| C47 | C48 | H481 | H482 | 116.4° | 120.0° |
| C47 | C48 | C49 | H491 | 99.3° | 60.0° |
| C47 | C48 | C49 | H492 | 18.9° | 60.0° |
| C48 | C49 | C50 | H491 | 120.9° | 120.0° |
| C48 | C49 | C50 | H492 | 120.9° | 120.0° |
| C48 | C49 | C50 | C51 | 176.4° | 180.0° |
| C49 | C48 | C47 | H471 | 6.9° | 60.0° |
| C49 | C48 | C47 | H472 | 124.5° | 60.0° |
| C49 | C48 | H481 | H482 | 116.4° | 120.0° |
| C48 | C49 | H491 | H492 | 117.1° | 120.0° |
| C48 | C49 | C50 | H501 | 55.6° | 60.0° |
| C48 | C49 | C50 | H502 | 62.8° | 60.0° |
| C49 | C50 | C51 | H501 | 120.8° | 120.0° |
| C49 | C50 | C51 | H502 | 120.8° | 120.0° |
| C49 | C50 | C51 | C52 | 137.2° | 180.0° |
| C50 | C49 | C48 | H481 | 18.7° | 60.0° |
| C50 | C49 | C48 | H482 | 99.1° | 59.9° |
| C50 | C49 | H491 | H492 | 117.1° | 120.0° |
| C49 | C50 | H501 | H502 | 117.6° | 120.0° |
| C49 | C50 | C51 | H511 | 13.2° | 60.0° |
| C49 | C50 | C51 | H512 | 98.9° | 60.0° |
| C50 | C51 | C52 | H511 | 124.0° | 120.0° |
| C50 | C51 | C52 | H512 | 124.0° | 120.0° |
| C50 | C51 | C52 | C53 | 152.4° | 180.0° |
| C51 | C50 | C49 | H491 | 62.7° | 60.0° |
| C51 | C50 | C49 | H492 | 55.5° | 60.0° |
| C51 | C50 | H501 | H502 | 117.6° | 120.1° |
| C50 | C51 | H511 | H512 | 104.6° | 120.1° |
| C50 | C51 | C52 | H521 | 31.5° | 60.0° |
| C50 | C51 | C52 | H522 | 86.6° | 60.0° |
| C51 | C52 | C53 | H521 | 121.0° | 120.0° |
| C51 | C52 | C53 | H522 | 121.0° | 120.0° |
| C51 | C52 | C53 | C54 | 163.1° | 180.0° |
| C52 | C51 | C50 | H501 | 102.1° | 60.0° |
| C52 | C51 | C50 | H502 | 16.4° | 60.0° |
| C52 | C51 | H511 | H512 | 104.6° | 120.0° |
| C51 | C52 | H521 | H522 | 117.0° | 120.0° |
| C51 | C52 | C53 | H531 | 42.4° | 60.0° |
| C51 | C52 | C53 | H532 | 76.2° | 60.0° |
| C52 | C53 | C54 | H531 | 120.7° | 120.1° |
| C52 | C53 | C54 | H532 | 120.7° | 120.0° |
| C52 | C53 | C54 | C55 | 87.7° | 180.0° |
| C53 | C52 | C51 | H511 | 83.6° | 60.0° |
| C53 | C52 | C51 | H512 | 28.5° | 60.0° |
| C53 | C52 | H521 | H522 | 117.0° | 120.0° |
| C52 | C53 | H531 | H532 | 117.9° | 120.1° |
| C52 | C53 | C54 | H541 | 33.6° | 59.9° |
| C52 | C53 | C54 | H542 | 150.9° | 60.1° |
| C53 | C54 | C55 | H541 | 121.4° | 120.1° |
| C53 | C54 | C55 | H542 | 121.4° | 120.0° |
| C53 | C54 | C55 | C56 | 144.1° | 180.0° |
| C54 | C53 | C52 | H521 | 75.9° | 60.0° |
| C54 | C53 | C52 | H522 | 42.1° | 60.1° |
| C54 | C53 | H531 | H532 | 117.9° | 119.9° |
| C53 | C54 | H541 | H542 | 115.6° | 120.0° |
| C53 | C54 | C55 | H551 | 94.9° | 59.9° |
| C53 | C54 | C55 | H552 | 23.0° | 60.0° |
| C54 | C55 | C56 | H551 | 121.1° | 120.0° |
| C54 | C55 | C56 | H552 | 121.1° | 119.9° |
| C54 | C55 | C56 | C57 | 153.6° | 180.0° |
| C55 | C54 | C53 | H531 | 151.6° | 59.9° |
| C55 | C54 | C53 | H532 | 32.9° | 60.0° |
| C55 | C54 | H541 | H542 | 115.6° | 119.9° |
| C54 | C55 | H551 | H552 | 116.6° | 119.9° |
| C54 | C55 | C56 | H561 | 32.5° | 60.0° |
| C54 | C55 | C56 | H8 | 85.3° | 60.1° |
| C55 | C56 | C57 | H561 | 121.1° | 120.0° |
| C55 | C56 | C57 | H8 | 121.1° | 120.0° |
| C55 | C56 | C57 | C58 | 179.6° | 180.0° |
| C56 | C55 | C54 | H541 | 22.7° | 59.9° |
| C56 | C55 | C54 | H542 | 94.5° | 60.0° |
| C56 | C55 | H551 | H552 | 116.6° | 120.1° |
| C55 | C56 | H561 | H8 | 116.5° | 120.1° |
| C55 | C56 | C57 | H571 | 58.5° | 60.0° |
| C55 | C56 | C57 | H9 | 59.4° | 60.0° |
| C56 | C57 | C58 | H571 | 121.0° | 120.0° |
| C56 | C57 | C58 | H9 | 121.0° | 120.0° |
| C56 | C57 | C58 | C59 | 177.9° | 180.0° |
| C57 | C56 | C55 | H551 | 85.4° | 60.0° |
| C57 | C56 | C55 | H552 | 32.5° | 60.0° |
| C57 | C56 | H561 | H8 | 116.5° | 120.0° |
| C56 | C57 | H571 | H9 | 116.7° | 120.0° |
| C56 | C57 | C58 | H581 | 57.2° | 60.0° |
| C56 | C57 | C58 | H582 | 61.2° | 60.0° |
| C57 | C58 | C59 | H581 | 120.8° | 120.0° |
| C57 | C58 | C59 | H582 | 120.8° | 120.0° |
| C58 | C57 | C56 | H561 | 59.3° | 60.0° |
| C58 | C57 | H571 | H9 | 116.7° | 120.0° |
| C57 | C58 | H581 | H582 | 117.5° | 120.0° |
| C57 | C58 | C59 | H591 | 180.0° | 59.9° |
| C57 | C58 | C59 | H592 | 60.0° | 60.0° |
| C57 | C58 | C59 | H593 | 60.0° | 180.0° |
| C58 | C57 | C56 | H8 | 58.4° | 60.0° |
| C59 | C58 | C57 | H571 | 61.0° | 60.0° |
| C59 | C58 | H581 | H582 | 117.5° | 119.9° |
| C58 | C59 | H591 | H592 | 120.0° | 119.9° |
| C58 | C59 | H591 | H593 | 120.0° | 120.1° |
| C58 | C59 | H592 | H593 | 120.0° | 120.0° |
| C59 | C58 | C57 | H9 | 56.9° | 60.0° |
| C32 | C27 | C28 | H281 | 142.7° | 59.9° |
| C27 | C32 | C31 | H311 | 157.5° | 60.0° |
| C27 | C32 | O33 | H331 | 55.1° | 180.0° |
| H101 | C10 | C11 | H111 | 149.0° | 60.0° |
| H101 | C10 | C11 | H112 | 31.0° | 180.0° |
| H101 | C10 | C09 | H091 | 117.5° | 180.0° |
| H101 | C10 | C09 | H6 | 124.9° | 60.0° |
| H102 | C10 | C11 | H111 | 93.3° | 180.0° |
| H102 | C10 | C11 | H112 | 148.8° | 60.0° |
| H102 | C10 | C09 | H091 | 0.3° | 60.0° |
| H102 | C10 | C09 | H6 | 117.3° | 180.0° |
| H111 | C11 | C12 | H121 | 75.0° | 180.0° |
| H111 | C11 | C12 | H7 | 42.9° | 60.0° |
| H112 | C11 | C12 | H121 | 167.1° | 60.0° |
| H112 | C11 | C12 | H7 | 75.0° | 180.0° |
| H131 | C13 | C14 | H141 | 107.4° | 60.0° |
| H131 | C13 | C14 | H142 | 10.8° | 180.0° |
| H131 | C13 | C12 | H121 | 168.5° | 60.0° |
| H131 | C13 | C12 | H7 | 50.6° | 180.0° |
| H141 | C14 | C15 | H151 | 153.3° | 180.0° |
| H141 | C14 | C15 | H152 | 88.3° | 60.0° |
| H141 | C14 | C13 | H5 | 134.9° | 180.0° |
| H142 | C14 | C15 | H151 | 35.1° | 59.9° |
| H142 | C14 | C15 | H152 | 153.5° | 179.9° |
| H142 | C14 | C13 | H5 | 106.8° | 59.9° |
| H191 | C19 | C20 | H201 | 175.7° | 55.0° |
| H192 | C19 | C20 | H201 | 66.1° | 65.0° |
| H201 | C20 | C21 | H211 | 19.4° | 64.9° |
| H201 | C20 | C21 | H212 | 137.7° | 55.1° |
| H271 | C27 | C28 | H281 | 102.8° | 180.0° |
| H271 | C27 | C32 | H321 | 60.8° | 60.0° |
| H281 | C28 | C29 | H291 | 158.3° | 180.0° |
| H281 | C28 | O41 | H411 | 100.2° | 60.0° |
| H291 | C29 | C30 | H301 | 177.2° | 179.9° |
| H291 | C29 | O40 | H401 | 59.5° | 60.1° |
| H301 | C30 | C31 | H311 | 142.5° | 180.0° |
| H301 | C30 | O39 | H391 | 57.8° | 60.0° |
| H311 | C31 | C32 | H321 | 39.7° | 60.0° |
| H061 | C06 | H062 | C05 | 137.8° | 120.1° |
| H061 | C06 | C07 | H071 | 105.1° | 60.0° |
| H061 | C06 | C07 | H072 | 137.3° | 180.0° |
| H061 | C06 | C05 | C04 | 90.0° | 60.1° |
| H061 | C06 | C05 | H10 | 90.0° | 180.0° |
| H061 | C06 | C05 | H11 | 90.0° | 59.9° |
| H062 | C06 | C07 | H071 | 120.5° | 180.0° |
| H062 | C06 | C07 | H072 | 3.0° | 60.0° |
| H062 | C06 | C05 | C04 | 90.0° | 60.0° |
| H062 | C06 | C05 | H10 | 90.0° | 59.9° |
| H062 | C06 | C05 | H11 | 90.0° | 180.0° |
| H071 | C07 | C08 | H081 | 141.4° | 180.0° |
| H071 | C07 | C06 | C05 | 7.7° | 60.0° |
| H071 | C07 | C08 | H1 | 23.7° | 60.0° |
| H072 | C07 | C08 | H081 | 101.0° | 60.0° |
| H072 | C07 | C06 | C05 | 109.8° | 60.0° |
| H072 | C07 | C08 | H1 | 141.2° | 180.0° |
| H081 | C08 | C09 | H091 | 163.3° | 60.0° |
| H081 | C08 | C09 | H6 | 79.1° | 180.0° |
| H091 | C09 | C08 | H1 | 45.6° | 180.0° |
| H121 | C12 | C13 | H5 | 73.9° | 180.0° |
| H321 | C32 | O33 | H331 | 61.9° | 59.9° |
| H451 | C45 | C46 | H461 | 121.7° | 180.0° |
| H451 | C45 | C46 | H462 | 119.8° | 60.0° |
| H452 | C45 | C46 | H461 | 4.3° | 60.0° |
| H452 | C45 | C46 | H462 | 122.8° | 179.9° |
| H461 | C46 | C47 | H471 | 161.3° | 180.0° |
| H461 | C46 | C47 | H472 | 43.6° | 60.0° |
| H462 | C46 | C47 | H471 | 80.2° | 60.1° |
| H462 | C46 | C47 | H472 | 162.2° | 180.0° |
| H471 | C47 | C48 | H481 | 114.2° | 180.0° |
| H471 | C47 | C48 | H482 | 128.0° | 60.1° |
| H472 | C47 | C48 | H481 | 3.4° | 60.0° |
| H472 | C47 | C48 | H482 | 114.3° | 179.9° |
| H481 | C48 | C49 | H491 | 139.6° | 180.0° |
| H481 | C48 | C49 | H492 | 102.3° | 60.0° |
| H482 | C48 | C49 | H491 | 21.9° | 60.1° |
| H482 | C48 | C49 | H492 | 140.0° | 179.9° |
| H491 | C49 | C50 | H501 | 176.6° | 180.0° |
| H491 | C49 | C50 | H502 | 58.1° | 60.0° |
| H492 | C49 | C50 | H501 | 65.3° | 60.0° |
| H492 | C49 | C50 | H502 | 176.2° | 180.0° |
| H501 | C50 | C51 | H511 | 134.0° | NaN° |
| H501 | C50 | C51 | H512 | 21.9° | 59.9° |
| H502 | C50 | C51 | H511 | 107.6° | 59.9° |
| H502 | C50 | C51 | H512 | 140.3° | 180.0° |
| H511 | C51 | C52 | H521 | 155.5° | 180.0° |
| H511 | C51 | C52 | H522 | 37.4° | 60.0° |
| H512 | C51 | C52 | H521 | 92.5° | 60.0° |
| H512 | C51 | C52 | H522 | 149.5° | 180.0° |
| H521 | C52 | C53 | H531 | 163.4° | 180.0° |
| H521 | C52 | C53 | H532 | 44.8° | 60.0° |
| H522 | C52 | C53 | H531 | 78.5° | 60.0° |
| H522 | C52 | C53 | H532 | 162.8° | 180.0° |
| H531 | C53 | C54 | H541 | 87.0° | 180.0° |
| H531 | C53 | C54 | H542 | 30.2° | 60.0° |
| H532 | C53 | C54 | H541 | 154.3° | 60.1° |
| H532 | C53 | C54 | H542 | 88.4° | 179.9° |
| H541 | C54 | C55 | H551 | 143.7° | 180.0° |
| H541 | C54 | C55 | H552 | 98.4° | 60.1° |
| H542 | C54 | C55 | H551 | 26.5° | 60.0° |
| H542 | C54 | C55 | H552 | 144.4° | 180.0° |
| H551 | C55 | C56 | H561 | 153.5° | 180.0° |
| H551 | C55 | C56 | H8 | 35.8° | 60.0° |
| H552 | C55 | C56 | H561 | 88.6° | 60.0° |
| H552 | C55 | C56 | H8 | 153.6° | 180.0° |
| H561 | C56 | C57 | H571 | 179.7° | 180.0° |
| H561 | C56 | C57 | H9 | 61.8° | 60.0° |
| H571 | C57 | C58 | H581 | 178.2° | 180.0° |
| H571 | C57 | C58 | H582 | 59.8° | 60.0° |
| H571 | C57 | C56 | H8 | 62.6° | 60.0° |
| H581 | C58 | C59 | H591 | 59.2° | 180.0° |
| H581 | C58 | C59 | H592 | 179.2° | 60.0° |
| H581 | C58 | C59 | H593 | 60.8° | 59.9° |
| H581 | C58 | C57 | H9 | 63.9° | 60.0° |
| H582 | C58 | C59 | H591 | 59.2° | 60.1° |
| H582 | C58 | C59 | H592 | 60.8° | 180.0° |
| H582 | C58 | C59 | H593 | 179.2° | 60.0° |
| H582 | C58 | C57 | H9 | 177.7° | 180.0° |
| H591 | C59 | H592 | H593 | 120.0° | 120.0° |
| C06 | C05 | C04 | H10 | 90.0° | 119.9° |
| C06 | C05 | C04 | H11 | 90.0° | 120.0° |
| C06 | C05 | C04 | C03 | 90.0° | 180.0° |
| C06 | C05 | H10 | H11 | 90.0° | 120.1° |
| C06 | C05 | C04 | H12 | 90.0° | 60.0° |
| C06 | C05 | C04 | H13 | 90.0° | 60.0° |
| C05 | C04 | C03 | H12 | 90.0° | 120.0° |
| C05 | C04 | C03 | H13 | 90.0° | 120.0° |
| C05 | C04 | C03 | C02 | 90.0° | NaN° |
| C04 | C05 | H10 | H11 | 90.0° | 120.0° |
| C05 | C04 | H12 | H13 | 90.0° | 120.0° |
| C05 | C04 | C03 | H14 | 90.0° | 60.0° |
| C05 | C04 | C03 | H15 | 90.0° | 60.0° |
| C04 | C03 | C02 | H14 | 90.0° | 120.0° |
| C04 | C03 | C02 | H15 | 90.0° | 120.0° |
| C04 | C03 | C02 | C01 | 90.0° | 180.0° |
| C03 | C04 | C05 | H10 | 90.0° | 60.0° |
| C03 | C04 | C05 | H11 | 90.0° | 60.0° |
| C03 | C04 | H12 | H13 | 90.0° | 120.0° |
| C04 | C03 | H14 | H15 | 90.0° | 120.0° |
| C04 | C03 | C02 | H16 | 90.0° | 60.0° |
| C04 | C03 | C02 | H17 | 90.0° | 60.0° |
| C03 | C02 | C01 | H16 | 90.0° | 120.0° |
| C03 | C02 | C01 | H17 | 90.0° | 120.0° |
| C02 | C03 | C04 | H12 | 90.0° | 60.0° |
| C02 | C03 | C04 | H13 | 90.0° | 60.0° |
| C02 | C03 | H14 | H15 | 90.0° | 120.0° |
| C03 | C02 | H16 | H17 | 90.0° | 120.0° |
| C03 | C02 | C01 | H18 | 90.0° | 60.0° |
| C03 | C02 | C01 | H19 | 90.0° | 60.0° |
| C03 | C02 | C01 | H20 | 90.0° | 180.0° |
| C01 | C02 | C03 | H14 | 90.0° | 60.0° |
| C01 | C02 | C03 | H15 | 90.0° | 60.0° |
| C01 | C02 | H16 | H17 | 90.0° | 120.0° |
| C02 | C01 | H18 | H19 | 90.0° | 119.9° |
| C02 | C01 | H18 | H20 | 90.0° | 120.0° |
| C02 | C01 | H19 | H20 | 90.0° | 120.0° |
| H5 | C13 | C12 | H7 | 168.2° | 60.0° |
| H1 | C08 | C09 | H6 | 163.1° | 60.0° |
| H8 | C56 | C57 | H9 | 179.5° | 180.0° |
| H10 | C05 | C04 | H12 | 90.0° | 180.0° |
| H10 | C05 | C04 | H13 | 90.0° | 59.9° |
| H11 | C05 | C04 | H12 | 90.0° | 60.0° |
| H11 | C05 | C04 | H13 | 90.0° | 180.0° |
| H12 | C04 | C03 | H14 | 90.0° | 180.0° |
| H12 | C04 | C03 | H15 | 90.0° | 60.0° |
| H13 | C04 | C03 | H14 | 90.0° | 60.0° |
| H13 | C04 | C03 | H15 | 90.0° | 180.0° |
| H14 | C03 | C02 | H16 | 90.0° | 180.0° |
| H14 | C03 | C02 | H17 | 90.0° | 60.0° |
| H15 | C03 | C02 | H16 | 90.0° | 60.0° |
| H15 | C03 | C02 | H17 | 90.0° | 180.0° |
| H16 | C02 | C01 | H18 | 90.0° | 180.0° |
| H16 | C02 | C01 | H19 | 90.0° | 60.1° |
| H16 | C02 | C01 | H20 | 90.0° | 60.0° |
| H17 | C02 | C01 | H18 | 90.0° | 60.0° |
| H17 | C02 | C01 | H19 | 90.0° | 180.0° |
| H17 | C02 | C01 | H20 | 90.0° | 60.0° |
| H18 | C01 | H19 | H20 | 90.0° | 120.1° |
