BEH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.46Å | |
| C01 | C03 | sing | 1.53Å | 1.51Å | |
| C01 | C31 | sing | 1.53Å | 1.51Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| O02 | H021 | sing | 0.97Å | 0.95Å | |
| C03 | O04 | sing | 1.43Å | 1.45Å | |
| C03 | C12 | sing | 1.51Å | 1.49Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| O04 | C05 | sing | 1.43Å | 1.45Å | |
| C05 | C06 | sing | 1.51Å | 1.52Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | C07 | doub | 1.38Å | 1.46Å | Aromatic |
| C06 | C11 | sing | 1.38Å | 1.45Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.44Å | Aromatic |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | C09 | doub | 1.38Å | 1.44Å | Aromatic |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | C10 | sing | 1.38Å | 1.44Å | Aromatic |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | doub | 1.38Å | 1.44Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | N14 | sing | 1.35Å | 1.38Å | |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.52Å | 1.51Å | |
| C15 | C23 | sing | 1.54Å | 1.54Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.44Å | Aromatic |
| C16 | C21 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.44Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.38Å | 1.44Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.38Å | 1.44Å | Aromatic |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | C21 | doub | 1.38Å | 1.44Å | Aromatic |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | C22 | sing | 1.51Å | 1.49Å | |
| C22 | C23 | sing | 1.54Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| C31 | O32 | sing | 1.43Å | 1.45Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å | |
| C33 | O34 | sing | 1.43Å | 1.46Å | |
| C33 | C42 | sing | 1.51Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| O34 | C35 | sing | 1.43Å | 1.45Å | |
| C35 | C36 | sing | 1.51Å | 1.52Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.45Å | Aromatic |
| C36 | C41 | sing | 1.38Å | 1.45Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.44Å | Aromatic |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.38Å | 1.44Å | Aromatic |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | C40 | sing | 1.38Å | 1.44Å | Aromatic |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | doub | 1.38Å | 1.44Å | Aromatic |
| C40 | H401 | sing | 1.08Å | 1.08Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | O43 | doub | 1.21Å | 1.24Å | |
| C42 | N44 | sing | 1.35Å | 1.38Å | |
| N44 | C45 | sing | 1.47Å | 1.45Å | |
| N44 | H441 | sing | 0.97Å | 1.00Å | |
| C45 | C46 | sing | 1.51Å | 1.44Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C46 | C47 | doub | 1.38Å | 1.45Å | Aromatic |
| C46 | C51 | sing | 1.38Å | 1.45Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.44Å | Aromatic |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | doub | 1.38Å | 1.44Å | Aromatic |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | sing | 1.38Å | 1.44Å | Aromatic |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C50 | C51 | doub | 1.38Å | 1.44Å | Aromatic |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C01 | C03 | 110.5° | 109.4° |
| O02 | C01 | C31 | 109.1° | 109.5° |
| O02 | C01 | H011 | 110.7° | 109.5° |
| C01 | O02 | H021 | 109.5° | 106.8° |
| C03 | C01 | C31 | 114.0° | 109.5° |
| C03 | C01 | H011 | 105.4° | 109.5° |
| C01 | C03 | O04 | 111.5° | 109.4° |
| C01 | C03 | C12 | 102.3° | 109.5° |
| C01 | C03 | H031 | 113.1° | 109.5° |
| C31 | C01 | H011 | 107.0° | 109.5° |
| C01 | C31 | O32 | 106.5° | 109.5° |
| C01 | C31 | C33 | 114.0° | 109.5° |
| C01 | C31 | H311 | 108.9° | 109.5° |
| O04 | C03 | C12 | 110.2° | 109.5° |
| O04 | C03 | H031 | 105.6° | 109.4° |
| C03 | O04 | C05 | 112.6° | 106.8° |
| C12 | C03 | H031 | 114.3° | 109.5° |
| C03 | C12 | O13 | 120.2° | 120.0° |
| C03 | C12 | N14 | 118.2° | 120.0° |
| O04 | C05 | C06 | 113.8° | 109.4° |
| O04 | C05 | H051 | 107.1° | 109.5° |
| O04 | C05 | H052 | 108.1° | 109.4° |
| C06 | C05 | H051 | 107.1° | 109.5° |
| C06 | C05 | H052 | 108.0° | 109.5° |
| C05 | C06 | C07 | 120.0° | 120.0° |
| C05 | C06 | C11 | 120.2° | 120.0° |
| H051 | C05 | H052 | 112.9° | 109.5° |
| C07 | C06 | C11 | 119.6° | 120.0° |
| C06 | C07 | C08 | 119.9° | 120.0° |
| C06 | C07 | H071 | 120.1° | 120.0° |
| C06 | C11 | C10 | 119.9° | 120.0° |
| C06 | C11 | H111 | 120.1° | 120.0° |
| C08 | C07 | H071 | 120.0° | 119.9° |
| C07 | C08 | C09 | 119.9° | 120.0° |
| C07 | C08 | H081 | 120.1° | 120.0° |
| C09 | C08 | H081 | 120.0° | 120.0° |
| C08 | C09 | C10 | 120.4° | 120.0° |
| C08 | C09 | H091 | 119.8° | 120.0° |
| C10 | C09 | H091 | 119.8° | 120.0° |
| C09 | C10 | C11 | 120.2° | 120.0° |
| C09 | C10 | H101 | 119.9° | 120.0° |
| C11 | C10 | H101 | 119.9° | 120.0° |
| C10 | C11 | H111 | 120.0° | 120.0° |
| O13 | C12 | N14 | 121.6° | 120.0° |
| C12 | N14 | C15 | 121.6° | 120.0° |
| C12 | N14 | H141 | 119.2° | 120.0° |
| C15 | N14 | H141 | 119.2° | 120.0° |
| N14 | C15 | C16 | 112.7° | 110.3° |
| N14 | C15 | C23 | 117.1° | 110.5° |
| N14 | C15 | H151 | 99.4° | 110.2° |
| C16 | C15 | C23 | 100.6° | 104.9° |
| C16 | C15 | H151 | 116.1° | 110.4° |
| C15 | C16 | C17 | 129.7° | 130.4° |
| C15 | C16 | C21 | 110.6° | 109.8° |
| C23 | C15 | H151 | 111.7° | 110.5° |
| C15 | C23 | C22 | 107.3° | 102.5° |
| C15 | C23 | O24 | 108.5° | 110.9° |
| C15 | C23 | H231 | 111.9° | 110.8° |
| C17 | C16 | C21 | 119.6° | 119.8° |
| C16 | C17 | C18 | 119.6° | 120.2° |
| C16 | C17 | H171 | 120.2° | 119.9° |
| C16 | C21 | C20 | 121.4° | 119.9° |
| C16 | C21 | C22 | 110.2° | 109.7° |
| C18 | C17 | H171 | 120.2° | 119.9° |
| C17 | C18 | C19 | 120.0° | 120.0° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| C19 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | C20 | 120.9° | 120.0° |
| C18 | C19 | H191 | 119.6° | 120.0° |
| C20 | C19 | H191 | 119.6° | 120.0° |
| C19 | C20 | C21 | 118.5° | 120.2° |
| C19 | C20 | H201 | 120.8° | 119.9° |
| C21 | C20 | H201 | 120.7° | 119.9° |
| C20 | C21 | C22 | 128.3° | 130.4° |
| C21 | C22 | C23 | 101.4° | 105.2° |
| C21 | C22 | H221 | 113.9° | 110.3° |
| C21 | C22 | H222 | 112.2° | 110.3° |
| C23 | C22 | H221 | 113.9° | 110.3° |
| C23 | C22 | H222 | 112.3° | 110.3° |
| C22 | C23 | O24 | 110.5° | 110.9° |
| C22 | C23 | H231 | 109.9° | 110.8° |
| H221 | C22 | H222 | 103.4° | 110.3° |
| O24 | C23 | H231 | 108.8° | 110.7° |
| C23 | O24 | H241 | 109.5° | 106.8° |
| O32 | C31 | C33 | 110.8° | 109.5° |
| O32 | C31 | H311 | 112.2° | 109.5° |
| C31 | O32 | H321 | 109.5° | 106.8° |
| C33 | C31 | H311 | 104.5° | 109.5° |
| C31 | C33 | O34 | 112.6° | 109.4° |
| C31 | C33 | C42 | 107.7° | 109.5° |
| C31 | C33 | H331 | 108.6° | 109.5° |
| O34 | C33 | C42 | 109.5° | 109.5° |
| O34 | C33 | H331 | 106.8° | 109.4° |
| C33 | O34 | C35 | 112.7° | 106.8° |
| C42 | C33 | H331 | 111.7° | 109.5° |
| C33 | C42 | O43 | 121.5° | 120.0° |
| C33 | C42 | N44 | 118.4° | 120.0° |
| O34 | C35 | C36 | 114.8° | 109.5° |
| O34 | C35 | H351 | 106.5° | 109.5° |
| O34 | C35 | H352 | 107.7° | 109.5° |
| C36 | C35 | H351 | 106.5° | 109.5° |
| C36 | C35 | H352 | 107.7° | 109.4° |
| C35 | C36 | C37 | 120.1° | 120.0° |
| C35 | C36 | C41 | 120.4° | 120.0° |
| H351 | C35 | H352 | 113.8° | 109.5° |
| C37 | C36 | C41 | 119.5° | 119.9° |
| C36 | C37 | C38 | 120.3° | 120.1° |
| C36 | C37 | H371 | 119.9° | 120.0° |
| C36 | C41 | C40 | 119.9° | 120.1° |
| C36 | C41 | H411 | 120.0° | 119.9° |
| C38 | C37 | H371 | 119.9° | 119.9° |
| C37 | C38 | C39 | 119.9° | 119.9° |
| C37 | C38 | H381 | 120.0° | 120.1° |
| C39 | C38 | H381 | 120.0° | 120.0° |
| C38 | C39 | C40 | 120.3° | 120.0° |
| C38 | C39 | H391 | 119.8° | 120.0° |
| C40 | C39 | H391 | 119.9° | 120.0° |
| C39 | C40 | C41 | 120.1° | 120.0° |
| C39 | C40 | H401 | 119.9° | 120.0° |
| C41 | C40 | H401 | 119.9° | 120.0° |
| C40 | C41 | H411 | 120.1° | 120.0° |
| O43 | C42 | N44 | 120.0° | 120.0° |
| C42 | N44 | C45 | 120.9° | 120.0° |
| C42 | N44 | H441 | 119.5° | 120.1° |
| C45 | N44 | H441 | 119.6° | 120.0° |
| N44 | C45 | C46 | 120.0° | 109.5° |
| N44 | C45 | H451 | 103.7° | 109.5° |
| N44 | C45 | H452 | 106.1° | 109.5° |
| C46 | C45 | H451 | 103.7° | 109.4° |
| C46 | C45 | H452 | 106.1° | 109.5° |
| C45 | C46 | C47 | 119.9° | 120.0° |
| C45 | C46 | C51 | 120.2° | 120.0° |
| H451 | C45 | H452 | 118.1° | 109.4° |
| C47 | C46 | C51 | 119.9° | 120.0° |
| C46 | C47 | C48 | 119.7° | 120.0° |
| C46 | C47 | H471 | 120.2° | 120.0° |
| C46 | C51 | C50 | 120.0° | 120.0° |
| C46 | C51 | H511 | 120.0° | 120.1° |
| C48 | C47 | H471 | 120.1° | 120.0° |
| C47 | C48 | C49 | 120.1° | 120.0° |
| C47 | C48 | H481 | 120.0° | 120.0° |
| C49 | C48 | H481 | 120.0° | 120.0° |
| C48 | C49 | C50 | 120.4° | 120.0° |
| C48 | C49 | H491 | 119.8° | 120.0° |
| C50 | C49 | H491 | 119.8° | 120.1° |
| C49 | C50 | C51 | 119.9° | 120.1° |
| C49 | C50 | H501 | 120.0° | 120.0° |
| C51 | C50 | H501 | 120.1° | 120.0° |
| C50 | C51 | H511 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C01 | C03 | C31 | 123.4° | 120.0° |
| O02 | C01 | C03 | H011 | 119.6° | 120.0° |
| O02 | C01 | C31 | H011 | 119.8° | 120.0° |
| O02 | C01 | C03 | O04 | 178.3° | 174.7° |
| O02 | C01 | C03 | C12 | 64.0° | 65.3° |
| O02 | C01 | C03 | H031 | 59.5° | 54.7° |
| O02 | C01 | C31 | O32 | 50.6° | 62.3° |
| O02 | C01 | C31 | C33 | 71.9° | 57.7° |
| O02 | C01 | C31 | H311 | 171.9° | 177.7° |
| C03 | C01 | C31 | H011 | 116.1° | 120.0° |
| C03 | C01 | O02 | H021 | 164.1° | 60.0° |
| C01 | C03 | O04 | C12 | 112.9° | 120.0° |
| C01 | C03 | O04 | H031 | 123.2° | 120.0° |
| C01 | C03 | C12 | H031 | 122.6° | 120.1° |
| C01 | C03 | O04 | C05 | 153.9° | 148.0° |
| C01 | C03 | C12 | O13 | 62.0° | 115.0° |
| C01 | C03 | C12 | N14 | 118.3° | 65.0° |
| C03 | C01 | C31 | O32 | 73.5° | 57.7° |
| C03 | C01 | C31 | C33 | 164.0° | 177.6° |
| C03 | C01 | C31 | H311 | 47.7° | 62.4° |
| C31 | C01 | O02 | H021 | 69.7° | 60.0° |
| C31 | C01 | C03 | O04 | 54.9° | 54.7° |
| C31 | C01 | C03 | C12 | 172.7° | 174.7° |
| C31 | C01 | C03 | H031 | 63.9° | 65.2° |
| C01 | C31 | O32 | C33 | 124.5° | 120.0° |
| C01 | C31 | O32 | H311 | 119.1° | 120.0° |
| C01 | C31 | C33 | H311 | 118.8° | 120.0° |
| C01 | C31 | O32 | H321 | 99.8° | 60.0° |
| C01 | C31 | C33 | O34 | 23.9° | 54.6° |
| C01 | C31 | C33 | C42 | 96.9° | 174.6° |
| C01 | C31 | C33 | H331 | 141.9° | 65.3° |
| H011 | C01 | O02 | H021 | 47.7° | 180.0° |
| H011 | C01 | C03 | O04 | 62.1° | 65.3° |
| H011 | C01 | C03 | C12 | 55.7° | 54.7° |
| H011 | C01 | C03 | H031 | 179.1° | 174.7° |
| H011 | C01 | C31 | O32 | 170.4° | 177.7° |
| H011 | C01 | C31 | C33 | 47.9° | 62.3° |
| H011 | C01 | C31 | H311 | 68.4° | 57.7° |
| O04 | C03 | C12 | H031 | 118.7° | 120.0° |
| C03 | O04 | C05 | C06 | 81.8° | 175.5° |
| C03 | O04 | C05 | H051 | 160.1° | 55.5° |
| C03 | O04 | C05 | H052 | 38.2° | 64.5° |
| O04 | C03 | C12 | O13 | 56.7° | 5.0° |
| O04 | C03 | C12 | N14 | 123.0° | 175.0° |
| C12 | C03 | O04 | C05 | 93.3° | 92.0° |
| C03 | C12 | O13 | N14 | 179.7° | 180.0° |
| C03 | C12 | N14 | C15 | 179.5° | 180.0° |
| C03 | C12 | N14 | H141 | 0.5° | 0.0° |
| H031 | C03 | O04 | C05 | 30.7° | 28.0° |
| H031 | C03 | C12 | O13 | 175.4° | 125.0° |
| H031 | C03 | C12 | N14 | 4.3° | 55.0° |
| O04 | C05 | C06 | H051 | 118.1° | 120.0° |
| O04 | C05 | C06 | H052 | 120.0° | 120.0° |
| O04 | C05 | H051 | H052 | 118.8° | 120.0° |
| O04 | C05 | C06 | C07 | 54.8° | 90.0° |
| O04 | C05 | C06 | C11 | 120.4° | 90.3° |
| C06 | C05 | H051 | H052 | 118.8° | 120.1° |
| C05 | C06 | C07 | C11 | 175.3° | 179.7° |
| C05 | C06 | C07 | C08 | 174.2° | 180.0° |
| C05 | C06 | C07 | H071 | 5.8° | 0.1° |
| C05 | C06 | C11 | C10 | 174.4° | 179.8° |
| C05 | C06 | C11 | H111 | 5.6° | 0.3° |
| H051 | C05 | C06 | C07 | 63.3° | 29.9° |
| H051 | C05 | C06 | C11 | 121.5° | 149.7° |
| H052 | C05 | C06 | C07 | 174.9° | 150.0° |
| H052 | C05 | C06 | C11 | 0.4° | 29.6° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C09 | 0.6° | 0.0° |
| C06 | C07 | C08 | H081 | 179.4° | 180.0° |
| C07 | C06 | C11 | C10 | 0.8° | 0.5° |
| C07 | C06 | C11 | H111 | 179.2° | 180.0° |
| C11 | C06 | C07 | C08 | 1.1° | 0.3° |
| C11 | C06 | C07 | H071 | 178.9° | 179.7° |
| C06 | C11 | C10 | C09 | 0.1° | 0.5° |
| C06 | C11 | C10 | H111 | 180.0° | 179.5° |
| C06 | C11 | C10 | H101 | 179.9° | 179.7° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 0.1° | 0.0° |
| C07 | C08 | C09 | H091 | 179.9° | 180.0° |
| H071 | C07 | C08 | C09 | 179.4° | 180.0° |
| H071 | C07 | C08 | H081 | 0.6° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.3° | 0.2° |
| C08 | C09 | C10 | H101 | 179.6° | 179.9° |
| H081 | C08 | C09 | C10 | 179.9° | 180.0° |
| H081 | C08 | C09 | H091 | 0.1° | 0.1° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | H111 | 179.9° | 180.0° |
| H091 | C09 | C10 | C11 | 179.6° | 179.8° |
| H091 | C09 | C10 | H101 | 0.4° | 0.0° |
| H101 | C10 | C11 | H111 | 0.1° | 0.2° |
| O13 | C12 | N14 | C15 | 0.8° | 0.0° |
| O13 | C12 | N14 | H141 | 179.2° | 180.0° |
| C12 | N14 | C15 | H141 | 180.0° | 180.0° |
| C12 | N14 | C15 | C16 | 98.8° | 86.4° |
| C12 | N14 | C15 | C23 | 145.2° | 158.0° |
| C12 | N14 | C15 | H151 | 24.8° | 35.7° |
| N14 | C15 | C16 | C23 | 125.5° | 119.0° |
| N14 | C15 | C16 | H151 | 113.7° | 122.0° |
| N14 | C15 | C23 | H151 | 113.6° | 122.2° |
| N14 | C15 | C16 | C17 | 35.0° | 43.9° |
| N14 | C15 | C16 | C21 | 144.2° | 136.2° |
| N14 | C15 | C23 | C22 | 152.5° | 145.3° |
| N14 | C15 | C23 | O24 | 33.2° | 26.9° |
| N14 | C15 | C23 | H231 | 86.9° | 96.5° |
| H141 | N14 | C15 | C16 | 81.2° | 93.5° |
| H141 | N14 | C15 | C23 | 34.8° | 22.0° |
| H141 | N14 | C15 | H151 | 155.2° | 144.4° |
| C16 | C15 | C23 | H151 | 123.9° | 118.9° |
| C15 | C16 | C17 | C21 | 179.2° | 179.9° |
| C15 | C16 | C17 | C18 | 179.7° | 179.9° |
| C15 | C16 | C17 | H171 | 0.3° | 0.1° |
| C15 | C16 | C21 | C20 | 179.8° | 180.0° |
| C15 | C16 | C21 | C22 | 0.2° | 0.1° |
| C16 | C15 | C23 | C22 | 30.0° | 26.4° |
| C16 | C15 | C23 | O24 | 89.3° | 91.9° |
| C16 | C15 | C23 | H231 | 150.6° | 144.7° |
| C23 | C15 | C16 | C17 | 160.5° | 162.8° |
| C23 | C15 | C16 | C21 | 18.7° | 17.3° |
| C15 | C23 | C22 | C21 | 30.2° | 26.5° |
| C15 | C23 | C22 | O24 | 118.0° | 118.4° |
| C15 | C23 | C22 | H231 | 121.9° | 118.3° |
| C15 | C23 | C22 | H221 | 153.1° | 145.4° |
| C15 | C23 | C22 | H222 | 89.8° | 92.4° |
| C15 | C23 | O24 | H231 | 121.9° | 123.4° |
| C15 | C23 | O24 | H241 | 98.6° | 177.3° |
| H151 | C15 | C16 | C17 | 78.7° | 78.1° |
| H151 | C15 | C16 | C21 | 102.1° | 101.7° |
| H151 | C15 | C23 | C22 | 93.9° | 92.5° |
| H151 | C15 | C23 | O24 | 146.8° | 149.1° |
| H151 | C15 | C23 | H231 | 26.8° | 25.8° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H181 | 179.8° | 180.0° |
| C17 | C16 | C21 | C20 | 0.5° | 0.1° |
| C17 | C16 | C21 | C22 | 179.1° | 180.0° |
| C21 | C16 | C17 | C18 | 0.5° | 0.1° |
| C21 | C16 | C17 | H171 | 179.5° | 180.0° |
| C16 | C21 | C20 | C19 | 0.2° | 0.0° |
| C16 | C21 | C20 | C22 | 179.5° | 180.0° |
| C16 | C21 | C20 | H201 | 179.8° | 180.0° |
| C16 | C21 | C22 | C23 | 18.3° | 17.2° |
| C16 | C21 | C22 | H221 | 141.1° | 136.1° |
| C16 | C21 | C22 | H222 | 101.7° | 101.8° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| H171 | C17 | C18 | C19 | 179.8° | 180.0° |
| H171 | C17 | C18 | H181 | 0.2° | 0.0° |
| C18 | C19 | C20 | H191 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.1° | 0.0° |
| C18 | C19 | C20 | H201 | 179.9° | 180.0° |
| H181 | C18 | C19 | C20 | 179.9° | 180.0° |
| H181 | C18 | C19 | H191 | 0.1° | 0.0° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 179.3° | 180.0° |
| H191 | C19 | C20 | C21 | 179.9° | 180.0° |
| H191 | C19 | C20 | H201 | 0.1° | 0.0° |
| C20 | C21 | C22 | C23 | 161.3° | 162.8° |
| C20 | C21 | C22 | H221 | 38.4° | 43.9° |
| C20 | C21 | C22 | H222 | 78.7° | 78.3° |
| H201 | C20 | C21 | C22 | 0.7° | 0.0° |
| C21 | C22 | C23 | H221 | 122.9° | 118.9° |
| C21 | C22 | C23 | H222 | 120.0° | 118.9° |
| C21 | C22 | H221 | H222 | 122.1° | 122.1° |
| C21 | C22 | C23 | O24 | 87.8° | 91.9° |
| C21 | C22 | C23 | H231 | 152.1° | 144.8° |
| C23 | C22 | H221 | H222 | 122.2° | 122.1° |
| C22 | C23 | O24 | H231 | 120.7° | 123.4° |
| C22 | C23 | O24 | H241 | 144.1° | 64.1° |
| H221 | C22 | C23 | O24 | 35.0° | 27.0° |
| H221 | C22 | C23 | H231 | 85.1° | 96.3° |
| H222 | C22 | C23 | O24 | 152.2° | 149.2° |
| H222 | C22 | C23 | H231 | 32.1° | 25.8° |
| H231 | C23 | O24 | H241 | 23.3° | 59.3° |
| O32 | C31 | C33 | H311 | 121.1° | 120.0° |
| O32 | C31 | C33 | O34 | 96.3° | 174.6° |
| O32 | C31 | C33 | C42 | 142.9° | 65.4° |
| O32 | C31 | C33 | H331 | 21.8° | 54.7° |
| C33 | C31 | O32 | H321 | 24.7° | 60.0° |
| C31 | C33 | O34 | C42 | 119.8° | 120.0° |
| C31 | C33 | O34 | H331 | 119.1° | 120.0° |
| C31 | C33 | C42 | H331 | 119.1° | 120.0° |
| C31 | C33 | O34 | C35 | 142.8° | 149.3° |
| C31 | C33 | C42 | O43 | 59.5° | 115.0° |
| C31 | C33 | C42 | N44 | 123.5° | 65.0° |
| H311 | C31 | O32 | H321 | 141.1° | 180.0° |
| H311 | C31 | C33 | O34 | 142.6° | 65.4° |
| H311 | C31 | C33 | C42 | 21.8° | 54.6° |
| H311 | C31 | C33 | H331 | 99.3° | 174.7° |
| O34 | C33 | C42 | H331 | 118.1° | 120.0° |
| C33 | O34 | C35 | C36 | 83.1° | 175.3° |
| C33 | O34 | C35 | H351 | 159.3° | 55.3° |
| C33 | O34 | C35 | H352 | 36.9° | 64.7° |
| O34 | C33 | C42 | O43 | 63.3° | 5.0° |
| O34 | C33 | C42 | N44 | 113.7° | 175.0° |
| C42 | C33 | O34 | C35 | 97.4° | 90.7° |
| C33 | C42 | O43 | N44 | 176.9° | 180.0° |
| C33 | C42 | N44 | C45 | 179.3° | 180.0° |
| C33 | C42 | N44 | H441 | 0.6° | 0.0° |
| H331 | C33 | O34 | C35 | 23.7° | 29.3° |
| H331 | C33 | C42 | O43 | 178.6° | 125.0° |
| H331 | C33 | C42 | N44 | 4.4° | 55.0° |
| O34 | C35 | C36 | H351 | 117.6° | 120.0° |
| O34 | C35 | C36 | H352 | 120.0° | 120.0° |
| O34 | C35 | H351 | H352 | 118.5° | 120.0° |
| O34 | C35 | C36 | C37 | 131.0° | 90.0° |
| O34 | C35 | C36 | C41 | 46.5° | 90.3° |
| C36 | C35 | H351 | H352 | 118.5° | 120.0° |
| C35 | C36 | C37 | C41 | 177.5° | 179.7° |
| C35 | C36 | C37 | C38 | 177.0° | 180.0° |
| C35 | C36 | C37 | H371 | 3.0° | 0.0° |
| C35 | C36 | C41 | C40 | 177.0° | 179.8° |
| C35 | C36 | C41 | H411 | 3.0° | 0.3° |
| H351 | C35 | C36 | C37 | 111.4° | 30.0° |
| H351 | C35 | C36 | C41 | 71.1° | 149.7° |
| H352 | C35 | C36 | C37 | 11.0° | 150.0° |
| H352 | C35 | C36 | C41 | 166.5° | 29.7° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.3° | 0.1° |
| C36 | C37 | C38 | H381 | 179.8° | 179.9° |
| C37 | C36 | C41 | C40 | 0.5° | 0.5° |
| C37 | C36 | C41 | H411 | 179.5° | 180.0° |
| C41 | C36 | C37 | C38 | 0.6° | 0.3° |
| C41 | C36 | C37 | H371 | 179.4° | 179.7° |
| C36 | C41 | C40 | C39 | 0.2° | 0.5° |
| C36 | C41 | C40 | H411 | 180.0° | 179.5° |
| C36 | C41 | C40 | H401 | 179.8° | 179.7° |
| C37 | C38 | C39 | H381 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 0.1° | 0.0° |
| C37 | C38 | C39 | H391 | 179.9° | 180.0° |
| H371 | C37 | C38 | C39 | 179.8° | 180.0° |
| H371 | C37 | C38 | H381 | 0.2° | 0.0° |
| C38 | C39 | C40 | H391 | 180.0° | 179.9° |
| C38 | C39 | C40 | C41 | 0.1° | 0.2° |
| C38 | C39 | C40 | H401 | 179.9° | 180.0° |
| H381 | C38 | C39 | C40 | 179.9° | 180.0° |
| H381 | C38 | C39 | H391 | 0.1° | 0.0° |
| C39 | C40 | C41 | H401 | 180.0° | 179.8° |
| C39 | C40 | C41 | H411 | 179.8° | 180.0° |
| H391 | C39 | C40 | C41 | 179.9° | 179.8° |
| H391 | C39 | C40 | H401 | 0.1° | 0.0° |
| H401 | C40 | C41 | H411 | 0.2° | 0.2° |
| O43 | C42 | N44 | C45 | 2.3° | 0.0° |
| O43 | C42 | N44 | H441 | 177.7° | 180.0° |
| C42 | N44 | C45 | H441 | 180.0° | 179.9° |
| C42 | N44 | C45 | C46 | 114.9° | 180.0° |
| C42 | N44 | C45 | H451 | 0.0° | 60.0° |
| C42 | N44 | C45 | H452 | 125.1° | 60.0° |
| N44 | C45 | C46 | H451 | 114.9° | 120.0° |
| N44 | C45 | C46 | H452 | 120.0° | 120.1° |
| N44 | C45 | H451 | H452 | 117.0° | 120.0° |
| N44 | C45 | C46 | C47 | 128.7° | 90.0° |
| N44 | C45 | C46 | C51 | 51.5° | 90.3° |
| H441 | N44 | C45 | C46 | 65.1° | 0.0° |
| H441 | N44 | C45 | H451 | 180.0° | 120.0° |
| H441 | N44 | C45 | H452 | 54.9° | 120.0° |
| C46 | C45 | H451 | H452 | 117.0° | 120.0° |
| C45 | C46 | C47 | C51 | 179.8° | 179.7° |
| C45 | C46 | C47 | C48 | 179.7° | 180.0° |
| C45 | C46 | C47 | H471 | 0.3° | 0.0° |
| C45 | C46 | C51 | C50 | 179.7° | 179.8° |
| C45 | C46 | C51 | H511 | 0.3° | 0.2° |
| H451 | C45 | C46 | C47 | 116.4° | 30.0° |
| H451 | C45 | C46 | C51 | 63.4° | 149.7° |
| H452 | C45 | C46 | C47 | 8.7° | 149.9° |
| H452 | C45 | C46 | C51 | 171.5° | 29.8° |
| C46 | C47 | C48 | H471 | 180.0° | 179.9° |
| C46 | C47 | C48 | C49 | 0.0° | 0.0° |
| C46 | C47 | C48 | H481 | 180.0° | 179.9° |
| C47 | C46 | C51 | C50 | 0.1° | 0.5° |
| C47 | C46 | C51 | H511 | 179.9° | 179.9° |
| C51 | C46 | C47 | C48 | 0.1° | 0.3° |
| C51 | C46 | C47 | H471 | 179.9° | 179.8° |
| C46 | C51 | C50 | C49 | 0.0° | 0.4° |
| C46 | C51 | C50 | H511 | 180.0° | 179.6° |
| C46 | C51 | C50 | H501 | 179.9° | 179.7° |
| C47 | C48 | C49 | H481 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 0.1° | 0.0° |
| C47 | C48 | C49 | H491 | 179.9° | 180.0° |
| H471 | C47 | C48 | C49 | 180.0° | 180.0° |
| H471 | C47 | C48 | H481 | 0.0° | 0.0° |
| C48 | C49 | C50 | H491 | 180.0° | 180.0° |
| C48 | C49 | C50 | C51 | 0.0° | 0.2° |
| C48 | C49 | C50 | H501 | 180.0° | 179.9° |
| H481 | C48 | C49 | C50 | 180.0° | 180.0° |
| H481 | C48 | C49 | H491 | 0.1° | 0.0° |
| C49 | C50 | C51 | H501 | 180.0° | 179.9° |
| C49 | C50 | C51 | H511 | 180.0° | 180.0° |
| H491 | C49 | C50 | C51 | 180.0° | 179.8° |
| H491 | C49 | C50 | H501 | 0.0° | 0.1° |
| H501 | C50 | C51 | H511 | 0.0° | 0.1° |
