A1AG8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C03 | O02 | sing | 1.43Å | 1.39Å | |
| C04 | C03 | sing | 1.53Å | 1.57Å | |
| C06 | O05 | sing | 1.43Å | 1.41Å | |
| O08 | C07 | sing | 1.43Å | 1.42Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C09 | C06 | sing | 1.53Å | 1.51Å | |
| O11 | C10 | sing | 1.43Å | 1.49Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| O12 | C09 | sing | 1.43Å | 1.39Å | |
| O05 | C04 | sing | 1.43Å | 1.37Å | |
| O13 | C04 | sing | 1.43Å | 1.43Å | |
| C14 | O13 | sing | 1.36Å | 1.39Å | |
| C15 | C14 | doub | 1.38Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.36Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.45Å | Aromatic |
| O20 | C18 | sing | 1.36Å | 1.45Å | |
| C21 | O20 | sing | 1.43Å | 1.46Å | |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C17 | sing | 1.52Å | 1.52Å | |
| O27 | C26 | sing | 1.43Å | 1.48Å | |
| C28 | C26 | sing | 1.51Å | 1.50Å | |
| C29 | C28 | doub | 1.38Å | 1.44Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C31 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.39Å | 1.43Å | Aromatic |
| O34 | C31 | sing | 1.36Å | 1.42Å | |
| C35 | O34 | sing | 1.43Å | 1.39Å | |
| C26 | C25 | sing | 1.53Å | 1.67Å | |
| C36 | C25 | sing | 1.51Å | 1.58Å | |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.34Å | Aromatic |
| C39 | C38 | doub | 1.38Å | 1.38Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.34Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.27Å | |
| C42 | C24 | sing | 1.51Å | 1.56Å | |
| O43 | C42 | doub | 1.21Å | 1.23Å | |
| O44 | C42 | sing | 1.34Å | 1.42Å | |
| C45 | O44 | sing | 1.45Å | 1.40Å | |
| C24 | C23 | sing | 1.54Å | 1.75Å | |
| O46 | C23 | sing | 1.43Å | 1.36Å | |
| C23 | C22 | sing | 1.54Å | 1.38Å | |
| O47 | C22 | sing | 1.43Å | 1.42Å | |
| C03 | O08 | sing | 1.43Å | 1.41Å | |
| C14 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C16 | O27 | sing | 1.36Å | 1.51Å | |
| C22 | C26 | sing | 1.55Å | 1.57Å | |
| C28 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C45 | H453 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| O46 | H461 | sing | 0.97Å | 0.95Å | |
| O47 | H471 | sing | 0.97Å | 0.95Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| O11 | H111 | sing | 0.97Å | 0.95Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 114.1° | 114.0° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.5° | 109.4° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C03 | C04 | 110.9° | 109.5° |
| O02 | C03 | O08 | 110.0° | 109.5° |
| O02 | C03 | H031 | 108.4° | 109.5° |
| C03 | C04 | O05 | 112.8° | 109.1° |
| C03 | C04 | O13 | 98.2° | 109.5° |
| C04 | C03 | O08 | 112.8° | 109.2° |
| C04 | C03 | H031 | 106.3° | 109.6° |
| C03 | C04 | H041 | 108.5° | 109.5° |
| O05 | C06 | C07 | 107.4° | 109.2° |
| O05 | C06 | C09 | 105.9° | 109.5° |
| C06 | O05 | C04 | 113.6° | 113.6° |
| O05 | C06 | H061 | 112.8° | 109.5° |
| O08 | C07 | C06 | 112.2° | 109.2° |
| C07 | O08 | C03 | 111.3° | 113.6° |
| O08 | C07 | H071 | 108.8° | 109.5° |
| O08 | C07 | H072 | 108.8° | 109.5° |
| C07 | C06 | C09 | 108.4° | 109.6° |
| C07 | C06 | H061 | 110.8° | 109.6° |
| C06 | C07 | H071 | 108.8° | 109.5° |
| C06 | C07 | H072 | 108.8° | 109.5° |
| C06 | C09 | C10 | 111.2° | 109.5° |
| C06 | C09 | O12 | 106.9° | 109.5° |
| C09 | C06 | H061 | 111.3° | 109.5° |
| C06 | C09 | H091 | 108.8° | 109.5° |
| O11 | C10 | C09 | 108.1° | 109.5° |
| O11 | C10 | H102 | 109.8° | 109.5° |
| O11 | C10 | H101 | 109.8° | 109.5° |
| C10 | O11 | H111 | 109.5° | 114.0° |
| C10 | C09 | O12 | 111.1° | 109.5° |
| C10 | C09 | H091 | 108.3° | 109.4° |
| C09 | C10 | H102 | 109.8° | 109.5° |
| C09 | C10 | H101 | 109.8° | 109.4° |
| O12 | C09 | H091 | 110.4° | 109.5° |
| C09 | O12 | H121 | 109.5° | 114.0° |
| O05 | C04 | O13 | 114.7° | 109.6° |
| O05 | C04 | H041 | 111.3° | 109.5° |
| C04 | O13 | C14 | 115.9° | 117.0° |
| O13 | C04 | H041 | 110.5° | 109.5° |
| O13 | C14 | C15 | 114.7° | 119.8° |
| O13 | C14 | C19 | 125.0° | 119.8° |
| C14 | C15 | C16 | 117.9° | 120.3° |
| C15 | C14 | C19 | 120.2° | 120.3° |
| C14 | C15 | H151 | 121.1° | 119.9° |
| C15 | C16 | C17 | 123.9° | 119.0° |
| C15 | C16 | O27 | 125.6° | 129.8° |
| C16 | C15 | H151 | 121.0° | 119.8° |
| C16 | C17 | C18 | 119.3° | 120.8° |
| C16 | C17 | C22 | 111.1° | 107.1° |
| C17 | C16 | O27 | 110.5° | 111.2° |
| C19 | C18 | O20 | 121.3° | 120.0° |
| C19 | C18 | C17 | 117.5° | 120.0° |
| C18 | C19 | C14 | 121.1° | 119.6° |
| C18 | C19 | H191 | 119.4° | 120.2° |
| C18 | O20 | C21 | 113.9° | 117.0° |
| O20 | C18 | C17 | 121.1° | 120.0° |
| O20 | C21 | H212 | 109.5° | 109.4° |
| O20 | C21 | H211 | 109.5° | 109.5° |
| O20 | C21 | H213 | 109.5° | 109.5° |
| C18 | C17 | C22 | 129.5° | 132.1° |
| C17 | C22 | C23 | 116.4° | 108.7° |
| C17 | C22 | O47 | 108.7° | 113.4° |
| C17 | C22 | C26 | 104.4° | 101.5° |
| O27 | C26 | C28 | 102.3° | 112.9° |
| O27 | C26 | C25 | 112.3° | 110.0° |
| C26 | O27 | C16 | 107.2° | 109.2° |
| O27 | C26 | C22 | 106.2° | 102.6° |
| C26 | C28 | C29 | 125.4° | 119.9° |
| C28 | C26 | C25 | 114.0° | 112.3° |
| C28 | C26 | C22 | 120.2° | 112.5° |
| C26 | C28 | C33 | 115.5° | 119.9° |
| C28 | C29 | C30 | 119.1° | 120.1° |
| C29 | C28 | C33 | 119.2° | 120.1° |
| C28 | C29 | H291 | 120.5° | 119.9° |
| C29 | C30 | C31 | 120.3° | 119.9° |
| C30 | C29 | H291 | 120.5° | 120.0° |
| C29 | C30 | H301 | 119.8° | 120.1° |
| C30 | C31 | C32 | 120.6° | 119.9° |
| C30 | C31 | O34 | 122.4° | 120.0° |
| C31 | C30 | H301 | 119.8° | 120.0° |
| C33 | C32 | C31 | 118.9° | 119.9° |
| C32 | C33 | C28 | 121.9° | 120.0° |
| C33 | C32 | H321 | 120.5° | 120.1° |
| C32 | C33 | H331 | 119.1° | 119.9° |
| C32 | C31 | O34 | 117.0° | 120.1° |
| C31 | C32 | H321 | 120.6° | 120.0° |
| C31 | O34 | C35 | 111.8° | 117.0° |
| O34 | C35 | H353 | 109.5° | 109.5° |
| O34 | C35 | H351 | 109.4° | 109.5° |
| O34 | C35 | H352 | 109.5° | 109.4° |
| C26 | C25 | C36 | 107.0° | 110.0° |
| C26 | C25 | C24 | 98.3° | 107.4° |
| C25 | C26 | C22 | 101.8° | 105.8° |
| C26 | C25 | H251 | 106.8° | 109.8° |
| C25 | C36 | C37 | 118.8° | 120.0° |
| C36 | C25 | C24 | 122.9° | 109.9° |
| C25 | C36 | C41 | 118.3° | 120.1° |
| C36 | C25 | H251 | 107.8° | 109.8° |
| C36 | C37 | C38 | 118.5° | 120.0° |
| C37 | C36 | C41 | 122.7° | 119.9° |
| C36 | C37 | H371 | 120.7° | 120.0° |
| C37 | C38 | C39 | 120.0° | 120.0° |
| C38 | C37 | H371 | 120.8° | 120.0° |
| C37 | C38 | H381 | 120.0° | 120.1° |
| C38 | C39 | C40 | 120.8° | 120.0° |
| C39 | C38 | H381 | 120.0° | 120.0° |
| C38 | C39 | H391 | 119.6° | 120.0° |
| C39 | C40 | C41 | 119.8° | 119.9° |
| C40 | C39 | H391 | 119.6° | 120.0° |
| C39 | C40 | H401 | 120.1° | 120.1° |
| C40 | C41 | C36 | 118.2° | 120.1° |
| C41 | C40 | H401 | 120.1° | 120.0° |
| C40 | C41 | H411 | 120.9° | 120.0° |
| C25 | C24 | C42 | 108.7° | 110.1° |
| C25 | C24 | C23 | 102.9° | 107.2° |
| C25 | C24 | H241 | 117.2° | 109.9° |
| C24 | C25 | H251 | 112.4° | 109.9° |
| C24 | C42 | O43 | 122.7° | 120.0° |
| C24 | C42 | O44 | 116.9° | 120.0° |
| C42 | C24 | C23 | 106.0° | 109.9° |
| C42 | C24 | H241 | 111.8° | 109.9° |
| O43 | C42 | O44 | 120.4° | 120.0° |
| C42 | O44 | C45 | 116.2° | 117.0° |
| O44 | C45 | H452 | 109.5° | 109.4° |
| O44 | C45 | H453 | 109.5° | 109.5° |
| O44 | C45 | H451 | 109.4° | 109.5° |
| C24 | C23 | O46 | 101.4° | 110.2° |
| C24 | C23 | C22 | 101.4° | 106.2° |
| C24 | C23 | H231 | 105.8° | 110.1° |
| C23 | C24 | H241 | 109.4° | 109.9° |
| O46 | C23 | C22 | 125.0° | 110.1° |
| O46 | C23 | H231 | 110.5° | 110.0° |
| C23 | O46 | H461 | 109.5° | 114.0° |
| C23 | C22 | O47 | 108.7° | 113.9° |
| C23 | C22 | C26 | 107.6° | 104.6° |
| C22 | C23 | H231 | 110.2° | 110.2° |
| O47 | C22 | C26 | 110.9° | 113.6° |
| C22 | O47 | H471 | 109.5° | 114.0° |
| O08 | C03 | H031 | 108.2° | 109.6° |
| C14 | C19 | H191 | 119.5° | 120.2° |
| C28 | C33 | H331 | 119.1° | 120.0° |
| C36 | C41 | H411 | 120.9° | 119.9° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.6° |
| H212 | C21 | H211 | 109.4° | 109.4° |
| H212 | C21 | H213 | 109.4° | 109.4° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H353 | C35 | H351 | 109.5° | 109.5° |
| H353 | C35 | H352 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H452 | C45 | H453 | 109.5° | 109.4° |
| H452 | C45 | H451 | 109.5° | 109.5° |
| H453 | C45 | H451 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 177.9° | 175.3° |
| C01 | O02 | C03 | O08 | 56.6° | 65.0° |
| O02 | C01 | H012 | H013 | 120.0° | 119.9° |
| O02 | C01 | H012 | H011 | 120.0° | 120.0° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C01 | O02 | C03 | H031 | 61.5° | 55.2° |
| O02 | C03 | C04 | O08 | 123.9° | 119.9° |
| O02 | C03 | C04 | H031 | 117.6° | 120.1° |
| O02 | C03 | O08 | C07 | 76.8° | 62.0° |
| O02 | C03 | C04 | O05 | 78.3° | 64.6° |
| O02 | C03 | C04 | O13 | 160.5° | 175.4° |
| O02 | C03 | O08 | H031 | 118.2° | 120.2° |
| C03 | O02 | C01 | H012 | 180.0° | 180.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 60.0° |
| O02 | C03 | C04 | H041 | 45.6° | 55.3° |
| C03 | C04 | O05 | C06 | 52.3° | 57.9° |
| C04 | C03 | O08 | C07 | 47.6° | 57.9° |
| C03 | C04 | O05 | O13 | 111.3° | 119.9° |
| C03 | C04 | O05 | H041 | 122.3° | 119.9° |
| C03 | C04 | O13 | H041 | 113.4° | 120.1° |
| C03 | C04 | O13 | C14 | 166.6° | 175.0° |
| C04 | C03 | O08 | H031 | 117.3° | 120.0° |
| O05 | C06 | C07 | O08 | 60.8° | 55.3° |
| O05 | C06 | C07 | C09 | 114.0° | 120.0° |
| O05 | C06 | C07 | H061 | 123.6° | 119.9° |
| O05 | C06 | C09 | H061 | 122.9° | 120.1° |
| O05 | C06 | C09 | C10 | 159.0° | 55.0° |
| O05 | C06 | C09 | O12 | 37.5° | 65.0° |
| C06 | O05 | C04 | O13 | 59.0° | 62.0° |
| C06 | O05 | C04 | H041 | 174.6° | 177.8° |
| O05 | C06 | C07 | H071 | 59.6° | 175.2° |
| O05 | C06 | C07 | H072 | 178.9° | 64.6° |
| O05 | C06 | C09 | H091 | 81.7° | 175.0° |
| O08 | C07 | C06 | H071 | 120.4° | 119.9° |
| O08 | C07 | C06 | H072 | 120.4° | 119.9° |
| O08 | C07 | C06 | C09 | 174.7° | 175.3° |
| C07 | O08 | C03 | H031 | 164.9° | 177.9° |
| O08 | C07 | C06 | H061 | 62.8° | 64.6° |
| O08 | C07 | H071 | H072 | 118.7° | 120.2° |
| C07 | C06 | C09 | H061 | 122.1° | 120.2° |
| C07 | C06 | C09 | C10 | 86.0° | 174.7° |
| C07 | C06 | C09 | O12 | 152.5° | 54.7° |
| C07 | C06 | O05 | C04 | 58.7° | 58.0° |
| C06 | C07 | O08 | C03 | 56.7° | 57.9° |
| C06 | C07 | H071 | H072 | 118.8° | 120.2° |
| C07 | C06 | C09 | H091 | 33.3° | 65.3° |
| C06 | C09 | C10 | O11 | 47.9° | 175.0° |
| C06 | C09 | C10 | O12 | 119.0° | 120.0° |
| C06 | C09 | C10 | H091 | 119.5° | 120.0° |
| C06 | C09 | O12 | H091 | 118.2° | 120.1° |
| C09 | C06 | O05 | C04 | 174.4° | 177.9° |
| C09 | C06 | C07 | H071 | 54.4° | 64.9° |
| C09 | C06 | C07 | H072 | 64.9° | 55.3° |
| C06 | C09 | C10 | H102 | 71.9° | 55.0° |
| C06 | C09 | C10 | H101 | 167.7° | 65.0° |
| C06 | C09 | O12 | H121 | 180.0° | 60.0° |
| O11 | C10 | C09 | H102 | 119.8° | 120.0° |
| O11 | C10 | C09 | H101 | 119.8° | 120.0° |
| O11 | C10 | C09 | O12 | 71.1° | 65.0° |
| O11 | C10 | C09 | H091 | 167.4° | 55.0° |
| O11 | C10 | H102 | H101 | 120.6° | 120.0° |
| C10 | C09 | O12 | H091 | 120.3° | 120.0° |
| C10 | C09 | C06 | H061 | 36.2° | 65.1° |
| C09 | C10 | H102 | H101 | 120.7° | 120.0° |
| C09 | C10 | O11 | H111 | 180.0° | 179.9° |
| C10 | C09 | O12 | H121 | 58.5° | 60.0° |
| O12 | C09 | C06 | H061 | 85.3° | 174.9° |
| O12 | C09 | C10 | H102 | 169.2° | 175.0° |
| O12 | C09 | C10 | H101 | 48.7° | 55.0° |
| O05 | C04 | O13 | H041 | 126.8° | 120.2° |
| O05 | C04 | O13 | C14 | 46.8° | 65.3° |
| O05 | C04 | C03 | O08 | 45.6° | 55.3° |
| O05 | C04 | C03 | H031 | 164.1° | 175.3° |
| C04 | O05 | C06 | H061 | 63.7° | 61.9° |
| C04 | O13 | C14 | C15 | 161.5° | 179.7° |
| O13 | C04 | C03 | O08 | 75.6° | 64.7° |
| C04 | O13 | C14 | C19 | 15.9° | 0.0° |
| O13 | C04 | C03 | H031 | 42.9° | 55.3° |
| O13 | C14 | C15 | C19 | 177.6° | 179.7° |
| O13 | C14 | C15 | C16 | 179.1° | 180.0° |
| O13 | C14 | C19 | C18 | 177.9° | 179.6° |
| C14 | O13 | C04 | H041 | 80.0° | 54.9° |
| O13 | C14 | C15 | H151 | 0.9° | 0.0° |
| O13 | C14 | C19 | H191 | 2.1° | 0.1° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 1.4° | 0.3° |
| C15 | C14 | C19 | C18 | 0.6° | 0.7° |
| C14 | C15 | C16 | O27 | 177.8° | 179.6° |
| C15 | C14 | C19 | H191 | 179.4° | 179.6° |
| C15 | C16 | C17 | O27 | 179.3° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.4° |
| C15 | C16 | C17 | C22 | 178.7° | 179.2° |
| C15 | C16 | O27 | C26 | 176.1° | 160.4° |
| C16 | C15 | C14 | C19 | 1.6° | 0.3° |
| C16 | C17 | C18 | C19 | 0.8° | 0.0° |
| C16 | C17 | C18 | O20 | 178.5° | 179.6° |
| C16 | C17 | C18 | C22 | 178.7° | 179.5° |
| C17 | C16 | O27 | C26 | 3.3° | 19.7° |
| C16 | C17 | C22 | C23 | 124.5° | 93.8° |
| C16 | C17 | C22 | O47 | 112.4° | 138.3° |
| C16 | C17 | C22 | C26 | 6.0° | 16.1° |
| C17 | C16 | C15 | H151 | 178.6° | 179.7° |
| C19 | C18 | O20 | C17 | 177.5° | 179.7° |
| C19 | C18 | O20 | C21 | 6.9° | 0.3° |
| C19 | C18 | C17 | C22 | 179.5° | 179.5° |
| C18 | C19 | C14 | H191 | 180.0° | 179.7° |
| O20 | C18 | C17 | C22 | 2.9° | 0.8° |
| O20 | C18 | C19 | C14 | 178.3° | 179.8° |
| O20 | C18 | C19 | H191 | 1.8° | 0.1° |
| C18 | O20 | C21 | H212 | 180.0° | 180.0° |
| C18 | O20 | C21 | H211 | 60.0° | 60.1° |
| C18 | O20 | C21 | H213 | 60.0° | 60.0° |
| C21 | O20 | C18 | C17 | 175.5° | 180.0° |
| O20 | C21 | H212 | H211 | 120.0° | 120.0° |
| O20 | C21 | H212 | H213 | 120.0° | 120.0° |
| O20 | C21 | H211 | H213 | 120.0° | 120.1° |
| C18 | C17 | C22 | C23 | 56.8° | 86.6° |
| C18 | C17 | C22 | O47 | 66.4° | 41.2° |
| C17 | C18 | C19 | C14 | 0.6° | 0.5° |
| C18 | C17 | C16 | O27 | 179.2° | 179.4° |
| C18 | C17 | C22 | C26 | 175.3° | 163.5° |
| C17 | C18 | C19 | H191 | 179.4° | 179.7° |
| C17 | C22 | C26 | O27 | 7.7° | 26.4° |
| C17 | C22 | C26 | C28 | 122.9° | 95.3° |
| C17 | C22 | C26 | C25 | 110.0° | 141.7° |
| C17 | C22 | C23 | C24 | 128.9° | 136.7° |
| C17 | C22 | C23 | O46 | 16.1° | 17.4° |
| C17 | C22 | C23 | O47 | 123.1° | 127.5° |
| C17 | C22 | C23 | C26 | 116.7° | 107.8° |
| C17 | C22 | O47 | C26 | 114.2° | 115.2° |
| C22 | C17 | C16 | O27 | 1.9° | 0.9° |
| C17 | C22 | C23 | H231 | 119.4° | 104.1° |
| C17 | C22 | O47 | H471 | 180.0° | 60.9° |
| O27 | C26 | C28 | C25 | 121.5° | 125.1° |
| O27 | C26 | C28 | C22 | 117.2° | 115.6° |
| O27 | C26 | C28 | C29 | 163.1° | 97.9° |
| O27 | C26 | C25 | C22 | 113.2° | 110.2° |
| O27 | C26 | C25 | C36 | 74.0° | 147.9° |
| O27 | C26 | C25 | C24 | 157.8° | 92.5° |
| O27 | C26 | C22 | C23 | 132.0° | 86.7° |
| O27 | C26 | C22 | O47 | 109.2° | 148.5° |
| O27 | C26 | C28 | C33 | 17.1° | 81.9° |
| O27 | C26 | C25 | H251 | 41.3° | 26.9° |
| C26 | C28 | C29 | C33 | 179.8° | 179.7° |
| C26 | C28 | C29 | C30 | 179.3° | 180.0° |
| C26 | C28 | C33 | C32 | 179.5° | 179.8° |
| C28 | C26 | C25 | C22 | 131.0° | 123.1° |
| C28 | C26 | C25 | C36 | 41.8° | 21.2° |
| C28 | C26 | C25 | C24 | 86.4° | 140.8° |
| C28 | C26 | C22 | C23 | 112.9° | 151.6° |
| C28 | C26 | C22 | O47 | 6.0° | 26.8° |
| C28 | C26 | O27 | C16 | 133.6° | 92.5° |
| C28 | C26 | C25 | H251 | 157.0° | 99.8° |
| C26 | C28 | C29 | H291 | 0.7° | 0.1° |
| C26 | C28 | C33 | H331 | 0.5° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 1.5° | 0.1° |
| C29 | C28 | C33 | C32 | 0.3° | 0.4° |
| C29 | C28 | C26 | C25 | 75.4° | 137.0° |
| C29 | C28 | C26 | C22 | 45.9° | 17.8° |
| C28 | C29 | C30 | H301 | 178.5° | 179.9° |
| C29 | C28 | C33 | H331 | 179.7° | 179.7° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.8° | 0.0° |
| C29 | C30 | C31 | O34 | 179.6° | 180.0° |
| C30 | C29 | C28 | C33 | 0.9° | 0.3° |
| C30 | C31 | C32 | C33 | 0.4° | 0.2° |
| C30 | C31 | C32 | O34 | 179.6° | 179.9° |
| C30 | C31 | O34 | C35 | 4.0° | 180.0° |
| C31 | C30 | C29 | H291 | 178.5° | 180.0° |
| C30 | C31 | C32 | H321 | 179.6° | 179.9° |
| C33 | C32 | C31 | H321 | 180.0° | 179.8° |
| C33 | C32 | C31 | O34 | 179.2° | 179.8° |
| C32 | C33 | C28 | H331 | 180.0° | 179.9° |
| C32 | C31 | O34 | C35 | 176.4° | 0.0° |
| C31 | C32 | C33 | C28 | 0.9° | 0.4° |
| C32 | C31 | C30 | H301 | 179.1° | 180.0° |
| C31 | C32 | C33 | H331 | 179.1° | 179.7° |
| O34 | C31 | C30 | H301 | 0.4° | 0.0° |
| O34 | C31 | C32 | H321 | 0.8° | 0.0° |
| C31 | O34 | C35 | H353 | 180.0° | 60.0° |
| C31 | O34 | C35 | H351 | 60.0° | 60.0° |
| C31 | O34 | C35 | H352 | 60.0° | 179.9° |
| O34 | C35 | H353 | H351 | 120.0° | 120.1° |
| O34 | C35 | H353 | H352 | 120.0° | 119.9° |
| O34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C26 | C25 | C36 | C24 | 112.3° | 118.1° |
| C26 | C25 | C36 | H251 | 114.6° | 120.9° |
| C26 | C25 | C36 | C37 | 76.4° | 58.4° |
| C26 | C25 | C24 | H251 | 112.2° | 119.4° |
| C26 | C25 | C24 | C42 | 162.7° | 119.7° |
| C26 | C25 | C24 | C23 | 50.7° | 0.2° |
| C25 | C26 | C22 | C23 | 14.3° | 28.6° |
| C25 | C26 | C22 | O47 | 133.1° | 96.2° |
| C25 | C26 | O27 | C16 | 103.7° | 141.1° |
| C25 | C26 | C28 | C33 | 104.4° | 43.3° |
| C26 | C25 | C36 | C41 | 109.3° | 121.3° |
| C26 | C25 | C24 | H241 | 69.3° | 119.1° |
| C25 | C36 | C37 | C41 | 174.0° | 179.7° |
| C25 | C36 | C37 | C38 | 176.0° | 179.9° |
| C25 | C36 | C41 | C40 | 176.6° | 179.7° |
| C36 | C25 | C24 | H251 | 131.3° | 121.0° |
| C36 | C25 | C24 | C42 | 80.7° | 120.6° |
| C36 | C25 | C24 | C23 | 167.2° | 119.9° |
| C36 | C25 | C26 | C22 | 172.8° | 101.9° |
| C36 | C25 | C24 | H241 | 47.2° | 0.5° |
| C25 | C36 | C37 | H371 | 4.0° | 0.1° |
| C25 | C36 | C41 | H411 | 3.4° | 0.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.4° | 0.1° |
| C37 | C36 | C41 | C40 | 2.5° | 0.6° |
| C37 | C36 | C25 | C24 | 171.4° | 59.7° |
| C37 | C36 | C25 | H251 | 38.2° | 179.3° |
| C36 | C37 | C38 | H381 | 179.6° | 180.0° |
| C37 | C36 | C41 | H411 | 177.5° | 179.7° |
| C37 | C38 | C39 | H381 | 180.0° | 179.9° |
| C37 | C38 | C39 | C40 | 0.4° | 0.1° |
| C38 | C37 | C36 | C41 | 2.0° | 0.4° |
| C37 | C38 | C39 | H391 | 179.5° | 180.0° |
| C38 | C39 | C40 | H391 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.2° | 0.3° |
| C39 | C38 | C37 | H371 | 179.6° | 180.0° |
| C38 | C39 | C40 | H401 | 179.8° | 180.0° |
| C39 | C40 | C41 | H401 | 180.0° | 179.7° |
| C39 | C40 | C41 | C36 | 1.6° | 0.6° |
| C40 | C39 | C38 | H381 | 179.6° | 180.0° |
| C39 | C40 | C41 | H411 | 178.4° | 179.7° |
| C40 | C41 | C36 | H411 | 180.0° | 179.6° |
| C41 | C40 | C39 | H391 | 179.8° | 179.7° |
| C25 | C24 | C42 | C23 | 110.0° | 117.8° |
| C25 | C24 | C42 | H241 | 130.9° | 121.1° |
| C25 | C24 | C42 | O43 | 0.6° | 0.8° |
| C25 | C24 | C42 | O44 | 178.4° | 179.3° |
| C25 | C24 | C23 | H241 | 125.2° | 119.4° |
| C25 | C24 | C23 | O46 | 84.3° | 101.0° |
| C25 | C24 | C23 | C22 | 45.3° | 18.2° |
| C24 | C25 | C26 | C22 | 44.6° | 17.6° |
| C24 | C25 | C36 | C41 | 2.9° | 120.6° |
| C25 | C24 | C23 | H231 | 160.4° | 137.5° |
| C24 | C42 | O43 | O44 | 177.7° | 179.9° |
| C24 | C42 | O44 | C45 | 175.8° | 180.0° |
| C42 | C24 | C23 | H241 | 120.7° | 121.1° |
| C42 | C24 | C23 | O46 | 29.8° | 18.6° |
| C42 | C24 | C23 | C22 | 159.4° | 137.8° |
| C42 | C24 | C23 | H231 | 85.5° | 102.9° |
| C42 | C24 | C25 | H251 | 50.6° | 0.3° |
| O43 | C42 | O44 | C45 | 2.0° | 0.1° |
| O43 | C42 | C24 | C23 | 109.4° | 118.6° |
| O43 | C42 | C24 | H241 | 131.5° | 120.4° |
| O44 | C42 | C24 | C23 | 68.4° | 61.5° |
| O44 | C42 | C24 | H241 | 50.7° | 59.6° |
| C42 | O44 | C45 | H452 | 180.0° | 60.0° |
| C42 | O44 | C45 | H453 | 60.0° | 59.9° |
| C42 | O44 | C45 | H451 | 60.0° | 179.9° |
| O44 | C45 | H452 | H453 | 120.0° | 120.0° |
| O44 | C45 | H452 | H451 | 120.0° | 120.0° |
| O44 | C45 | H453 | H451 | 120.0° | 120.0° |
| C24 | C23 | O46 | C22 | 112.8° | 116.8° |
| C24 | C23 | O46 | H231 | 111.9° | 121.6° |
| C24 | C23 | C22 | H231 | 111.8° | 119.2° |
| C24 | C23 | C22 | O47 | 108.0° | 95.8° |
| C24 | C23 | C22 | C26 | 12.2° | 28.9° |
| C23 | C24 | C25 | H251 | 61.5° | 119.1° |
| C24 | C23 | O46 | H461 | 180.0° | 63.2° |
| O46 | C23 | C22 | H231 | 135.5° | 121.6° |
| O46 | C23 | C22 | O47 | 139.3° | 145.0° |
| O46 | C23 | C22 | C26 | 100.5° | 90.4° |
| O46 | C23 | C24 | H241 | 150.5° | 139.7° |
| C23 | C22 | O47 | C26 | 118.2° | 119.7° |
| C22 | C23 | C24 | H241 | 79.9° | 101.1° |
| C22 | C23 | O46 | H461 | 67.3° | 180.0° |
| C23 | C22 | O47 | H471 | 52.3° | 64.1° |
| O47 | C22 | C23 | H231 | 3.8° | 23.4° |
| O08 | C03 | C04 | H041 | 169.5° | 175.2° |
| C03 | O08 | C07 | H071 | 63.8° | 177.8° |
| C03 | O08 | C07 | H072 | 177.0° | 62.0° |
| C19 | C14 | C15 | H151 | 178.4° | 179.7° |
| C16 | O27 | C26 | C22 | 6.8° | 28.9° |
| O27 | C16 | C15 | H151 | 2.2° | 0.4° |
| C22 | C26 | C28 | C33 | 134.3° | 162.5° |
| C26 | C22 | C23 | H231 | 124.0° | 148.1° |
| C22 | C26 | C25 | H251 | 71.9° | 137.1° |
| C26 | C22 | O47 | H471 | 65.8° | 176.2° |
| C33 | C28 | C29 | H291 | 179.0° | 179.8° |
| C28 | C33 | C32 | H321 | 179.1° | 179.7° |
| C41 | C36 | C25 | H251 | 136.1° | 0.4° |
| C41 | C36 | C37 | H371 | 178.0° | 179.8° |
| C36 | C41 | C40 | H401 | 178.4° | 179.7° |
| H012 | C01 | H013 | H011 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 72.1° | 64.8° |
| H061 | C06 | C07 | H071 | 176.8° | 55.3° |
| H061 | C06 | C07 | H072 | 57.5° | 175.5° |
| H061 | C06 | C09 | H091 | 155.4° | 54.9° |
| H212 | C21 | H211 | H213 | 120.0° | 120.0° |
| H231 | C23 | C24 | H241 | 35.2° | 18.1° |
| H231 | C23 | O46 | H461 | 68.1° | 58.4° |
| H241 | C24 | C25 | H251 | 178.5° | 121.5° |
| H291 | C29 | C30 | H301 | 1.6° | 0.0° |
| H321 | C32 | C33 | H331 | 0.9° | 0.1° |
| H353 | C35 | H351 | H352 | 120.0° | 120.0° |
| H371 | C37 | C38 | H381 | 0.5° | 0.1° |
| H381 | C38 | C39 | H391 | 0.4° | 0.1° |
| H391 | C39 | C40 | H401 | 0.2° | 0.1° |
| H401 | C40 | C41 | H411 | 1.6° | 0.1° |
| H452 | C45 | H453 | H451 | 120.0° | 120.0° |
| H091 | C09 | C10 | H102 | 47.7° | 65.0° |
| H091 | C09 | C10 | H101 | 72.8° | 175.0° |
| H091 | C09 | O12 | H121 | 61.8° | 180.0° |
| H102 | C10 | O11 | H111 | 60.2° | 60.0° |
| H101 | C10 | O11 | H111 | 60.2° | 60.0° |
