4IX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | C02 | sing | 1.43Å | 1.40Å | |
| C02 | C03 | sing | 1.53Å | 1.47Å | |
| O34 | C33 | sing | 1.43Å | 1.43Å | |
| O30 | C29 | sing | 1.43Å | 1.43Å | |
| C03 | C33 | sing | 1.53Å | 1.53Å | |
| C03 | O04 | sing | 1.43Å | 1.49Å | |
| C33 | C31 | sing | 1.53Å | 1.48Å | |
| O04 | C05 | sing | 1.43Å | 1.47Å | |
| C31 | C29 | sing | 1.53Å | 1.50Å | |
| C31 | O32 | sing | 1.43Å | 1.47Å | |
| C29 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | O06 | sing | 1.43Å | 1.38Å | |
| O06 | C07 | sing | 1.43Å | 1.43Å | |
| C07 | C08 | sing | 1.53Å | 1.59Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| N28 | N27 | doub | 1.29Å | 1.38Å | Aromatic |
| N28 | C11 | sing | 1.34Å | 1.33Å | Aromatic |
| N27 | N13 | sing | 1.29Å | 1.34Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.51Å | 1.56Å | |
| C11 | C12 | doub | 1.35Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.46Å | 1.47Å | |
| N13 | C12 | sing | 1.35Å | 1.33Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.59Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C17 | N26 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | O21 | sing | 1.36Å | 1.39Å | |
| C20 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| N26 | C22 | sing | 1.33Å | 1.34Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.57Å | |
| C23 | N24 | doub | 1.29Å | 1.28Å | |
| O25 | N24 | sing | 1.42Å | 1.40Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å | |
| O25 | H251 | sing | 0.97Å | 0.95Å | |
| O30 | H301 | sing | 0.97Å | 0.95Å | |
| O32 | H321 | sing | 0.97Å | 0.95Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 108.8° | 109.5° |
| O01 | C02 | H021 | 109.7° | 109.5° |
| O01 | C02 | H022 | 109.6° | 109.5° |
| C02 | O01 | H011 | 109.5° | 114.0° |
| C02 | C03 | C33 | 108.0° | 109.5° |
| C02 | C03 | O04 | 108.3° | 109.5° |
| C03 | C02 | H021 | 109.6° | 109.5° |
| C03 | C02 | H022 | 109.6° | 109.5° |
| C02 | C03 | H031 | 109.6° | 109.4° |
| O34 | C33 | C03 | 109.4° | 109.6° |
| O34 | C33 | C31 | 108.0° | 109.6° |
| O34 | C33 | H331 | 110.0° | 109.6° |
| C33 | O34 | H341 | 109.5° | 114.1° |
| O30 | C29 | C31 | 108.8° | 109.5° |
| O30 | C29 | C05 | 110.1° | 109.5° |
| O30 | C29 | H291 | 109.7° | 109.5° |
| C29 | O30 | H301 | 109.5° | 114.0° |
| C33 | C03 | O04 | 112.6° | 109.4° |
| C03 | C33 | C31 | 111.5° | 109.2° |
| C33 | C03 | H031 | 108.8° | 109.5° |
| C03 | C33 | H331 | 108.6° | 109.5° |
| C03 | O04 | C05 | 112.2° | 114.1° |
| O04 | C03 | H031 | 109.4° | 109.5° |
| C33 | C31 | C29 | 113.2° | 109.0° |
| C33 | C31 | O32 | 108.8° | 109.6° |
| C33 | C31 | H311 | 108.4° | 109.6° |
| C31 | C33 | H331 | 109.4° | 109.5° |
| O04 | C05 | C29 | 113.0° | 109.4° |
| O04 | C05 | O06 | 111.2° | 109.5° |
| O04 | C05 | H051 | 108.5° | 109.4° |
| C29 | C31 | O32 | 109.7° | 109.5° |
| C31 | C29 | C05 | 111.4° | 109.2° |
| C31 | C29 | H291 | 108.7° | 109.5° |
| C29 | C31 | H311 | 108.1° | 109.5° |
| O32 | C31 | H311 | 108.5° | 109.5° |
| C31 | O32 | H321 | 109.5° | 114.0° |
| C29 | C05 | O06 | 106.7° | 109.5° |
| C29 | C05 | H051 | 107.6° | 109.6° |
| C05 | C29 | H291 | 108.2° | 109.6° |
| C05 | O06 | C07 | 110.8° | 114.0° |
| O06 | C05 | H051 | 109.7° | 109.5° |
| O06 | C07 | C08 | 109.6° | 109.5° |
| O06 | C07 | H072 | 109.5° | 109.5° |
| O06 | C07 | H071 | 109.4° | 109.5° |
| C07 | C08 | C09 | 111.6° | 109.5° |
| C08 | C07 | H072 | 109.4° | 109.5° |
| C08 | C07 | H071 | 109.4° | 109.5° |
| C07 | C08 | H082 | 109.0° | 109.5° |
| C07 | C08 | H081 | 109.0° | 109.5° |
| C08 | C09 | C10 | 111.4° | 109.4° |
| C09 | C08 | H082 | 108.9° | 109.5° |
| C09 | C08 | H081 | 109.0° | 109.5° |
| C08 | C09 | H091 | 109.0° | 109.4° |
| C08 | C09 | H092 | 109.0° | 109.5° |
| N27 | N28 | C11 | 107.8° | 108.9° |
| N28 | N27 | N13 | 107.7° | 110.2° |
| N28 | C11 | C10 | 127.1° | 126.7° |
| N28 | C11 | C12 | 107.5° | 106.5° |
| N27 | N13 | C14 | 126.4° | 125.9° |
| N27 | N13 | C12 | 109.0° | 108.3° |
| C09 | C10 | C11 | 113.3° | 109.5° |
| C10 | C09 | H091 | 109.0° | 109.5° |
| C10 | C09 | H092 | 109.0° | 109.5° |
| C09 | C10 | H101 | 108.5° | 109.5° |
| C09 | C10 | H102 | 108.5° | 109.5° |
| C10 | C11 | C12 | 125.4° | 126.7° |
| C11 | C10 | H101 | 108.5° | 109.5° |
| C11 | C10 | H102 | 108.5° | 109.4° |
| C11 | C12 | N13 | 108.0° | 106.1° |
| C11 | C12 | H121 | 126.0° | 126.9° |
| C14 | N13 | C12 | 124.6° | 125.8° |
| N13 | C14 | C15 | 109.1° | 109.4° |
| N13 | C14 | H141 | 109.5° | 109.5° |
| N13 | C14 | H142 | 109.5° | 109.5° |
| N13 | C12 | H121 | 126.0° | 127.0° |
| C14 | C15 | C16 | 111.4° | 109.5° |
| C15 | C14 | H141 | 109.6° | 109.5° |
| C15 | C14 | H142 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| C14 | C15 | H151 | 109.0° | 109.5° |
| C19 | C18 | C17 | 121.0° | 119.5° |
| C18 | C19 | C20 | 117.4° | 118.5° |
| C19 | C18 | H181 | 119.5° | 120.2° |
| C18 | C19 | H191 | 121.3° | 120.8° |
| C18 | C17 | C16 | 120.2° | 119.5° |
| C18 | C17 | N26 | 119.2° | 121.1° |
| C17 | C18 | H181 | 119.5° | 120.3° |
| C19 | C20 | O21 | 120.2° | 120.5° |
| C19 | C20 | C22 | 119.4° | 118.9° |
| C20 | C19 | H191 | 121.3° | 120.7° |
| C15 | C16 | C17 | 112.2° | 109.5° |
| C16 | C15 | H152 | 109.0° | 109.5° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C15 | C16 | H161 | 108.8° | 109.5° |
| C15 | C16 | H162 | 108.8° | 109.4° |
| C16 | C17 | N26 | 120.6° | 119.5° |
| C17 | C16 | H161 | 108.8° | 109.5° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| C17 | N26 | C22 | 122.0° | 121.6° |
| O21 | C20 | C22 | 120.5° | 120.6° |
| C20 | O21 | H211 | 109.5° | 114.0° |
| C20 | C22 | N26 | 121.0° | 120.4° |
| C20 | C22 | C23 | 118.8° | 119.8° |
| N26 | C22 | C23 | 120.2° | 119.8° |
| C22 | C23 | N24 | 120.3° | 120.0° |
| C22 | C23 | H231 | 119.8° | 120.0° |
| C23 | N24 | O25 | 120.7° | 120.0° |
| N24 | C23 | H231 | 119.8° | 120.0° |
| N24 | O25 | H251 | 109.5° | 114.0° |
| H021 | C02 | H022 | 109.5° | 109.4° |
| H072 | C07 | H071 | 109.5° | 109.4° |
| H082 | C08 | H081 | 109.4° | 109.4° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.4° | 109.4° |
| H161 | C16 | H162 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | H021 | 119.9° | 120.1° |
| O01 | C02 | C03 | H022 | 119.9° | 120.0° |
| O01 | C02 | C03 | C33 | 139.6° | 175.0° |
| O01 | C02 | C03 | O04 | 98.1° | 65.1° |
| O01 | C02 | H021 | H022 | 120.3° | 120.0° |
| O01 | C02 | C03 | H031 | 21.2° | 55.0° |
| C02 | C03 | C33 | O34 | 59.2° | 62.4° |
| C02 | C03 | C33 | O04 | 119.5° | 120.0° |
| C02 | C03 | C33 | H031 | 119.0° | 120.0° |
| C02 | C03 | O04 | H031 | 119.4° | 120.0° |
| C02 | C03 | C33 | C31 | 178.6° | 177.6° |
| C02 | C03 | O04 | C05 | 152.0° | 178.9° |
| C03 | C02 | H021 | H022 | 120.3° | 120.0° |
| C02 | C03 | C33 | H331 | 60.8° | 57.7° |
| C03 | C02 | O01 | H011 | 180.0° | 180.0° |
| O34 | C33 | C03 | C31 | 119.3° | 120.0° |
| O34 | C33 | C03 | H331 | 120.0° | 120.2° |
| O34 | C33 | C03 | O04 | 178.7° | 177.6° |
| O34 | C33 | C31 | H331 | 119.7° | 120.2° |
| O34 | C33 | C31 | C29 | 146.3° | 176.9° |
| O34 | C33 | C31 | O32 | 91.5° | 63.2° |
| O34 | C33 | C03 | H031 | 59.8° | 57.5° |
| O34 | C33 | C31 | H311 | 26.4° | 57.0° |
| O30 | C29 | C31 | C33 | 90.6° | 176.9° |
| O30 | C29 | C05 | O04 | 60.0° | 177.5° |
| O30 | C29 | C31 | C05 | 121.5° | 119.9° |
| O30 | C29 | C31 | H291 | 119.4° | 120.1° |
| O30 | C29 | C31 | O32 | 147.6° | 63.2° |
| O30 | C29 | C05 | H291 | 119.9° | 120.2° |
| O30 | C29 | C05 | O06 | 177.4° | 62.5° |
| O30 | C29 | C05 | H051 | 59.7° | 57.6° |
| O30 | C29 | C31 | H311 | 29.4° | 57.0° |
| C33 | C03 | O04 | H031 | 121.2° | 120.0° |
| C03 | C33 | C31 | H331 | 120.2° | 119.8° |
| C33 | C03 | O04 | C05 | 32.6° | 61.2° |
| C03 | C33 | C31 | C29 | 26.1° | 56.9° |
| C03 | C33 | C31 | O32 | 148.4° | 176.8° |
| C33 | C03 | C02 | H021 | 100.5° | 54.9° |
| C33 | C03 | C02 | H022 | 19.8° | 65.0° |
| C03 | C33 | C31 | H311 | 93.8° | 62.9° |
| C03 | C33 | O34 | H341 | 180.0° | 180.0° |
| O04 | C03 | C33 | C31 | 61.9° | 57.6° |
| C03 | O04 | C05 | C29 | 25.8° | 61.2° |
| C03 | O04 | C05 | O06 | 94.2° | 178.8° |
| O04 | C03 | C02 | H021 | 21.7° | 174.9° |
| O04 | C03 | C02 | H022 | 142.0° | 54.9° |
| C03 | O04 | C05 | H051 | 145.1° | 58.9° |
| O04 | C03 | C33 | H331 | 58.7° | 62.3° |
| C33 | C31 | C29 | O32 | 121.8° | 119.9° |
| C33 | C31 | C29 | H311 | 120.1° | 120.0° |
| C33 | C31 | O32 | H311 | 117.7° | 120.3° |
| C33 | C31 | C29 | C05 | 30.9° | 57.0° |
| C31 | C33 | C03 | H031 | 59.6° | 62.4° |
| C33 | C31 | C29 | H291 | 150.0° | 63.0° |
| C33 | C31 | O32 | H321 | 180.0° | 179.5° |
| C31 | C33 | O34 | H341 | 58.5° | 60.3° |
| O04 | C05 | C29 | C31 | 60.7° | 57.6° |
| O04 | C05 | C29 | O06 | 122.6° | 120.0° |
| O04 | C05 | C29 | H051 | 119.8° | 120.0° |
| O04 | C05 | O06 | H051 | 120.1° | 120.0° |
| O04 | C05 | O06 | C07 | 118.5° | 65.0° |
| C05 | O04 | C03 | H031 | 88.6° | 58.8° |
| O04 | C05 | C29 | H291 | 179.9° | 62.3° |
| C29 | C31 | O32 | H311 | 117.9° | 120.1° |
| C31 | C29 | C05 | H291 | 119.4° | 119.9° |
| C31 | C29 | C05 | O06 | 61.9° | 177.6° |
| C31 | C29 | C05 | H051 | 179.5° | 62.4° |
| C29 | C31 | C33 | H331 | 94.0° | 62.9° |
| C31 | C29 | O30 | H301 | 180.0° | 179.7° |
| C29 | C31 | O32 | H321 | 55.6° | 60.0° |
| O32 | C31 | C29 | C05 | 90.9° | 176.9° |
| O32 | C31 | C29 | H291 | 28.2° | 56.9° |
| O32 | C31 | C33 | H331 | 28.2° | 57.0° |
| C29 | C05 | O06 | H051 | 116.3° | 120.1° |
| C29 | C05 | O06 | C07 | 117.8° | 175.1° |
| C05 | C29 | C31 | H311 | 151.0° | 63.0° |
| C05 | C29 | O30 | H301 | 57.7° | 60.0° |
| C05 | O06 | C07 | C08 | 99.2° | 180.0° |
| C05 | O06 | C07 | H072 | 20.9° | 60.0° |
| C05 | O06 | C07 | H071 | 140.8° | 60.0° |
| O06 | C05 | C29 | H291 | 57.5° | 57.7° |
| O06 | C07 | C08 | H072 | 120.1° | 120.0° |
| O06 | C07 | C08 | H071 | 120.0° | 120.0° |
| O06 | C07 | C08 | C09 | 164.7° | 180.0° |
| C07 | O06 | C05 | H051 | 1.5° | 54.9° |
| O06 | C07 | H072 | H071 | 119.9° | 120.0° |
| O06 | C07 | C08 | H082 | 74.9° | 60.0° |
| O06 | C07 | C08 | H081 | 44.4° | 59.9° |
| C07 | C08 | C09 | H082 | 120.3° | 120.0° |
| C07 | C08 | C09 | H081 | 120.3° | 120.0° |
| C07 | C08 | C09 | C10 | 152.0° | 180.0° |
| C08 | C07 | H072 | H071 | 119.9° | 120.0° |
| C07 | C08 | H082 | H081 | 119.0° | 120.0° |
| C07 | C08 | C09 | H091 | 87.7° | 60.1° |
| C07 | C08 | C09 | H092 | 31.7° | 59.9° |
| C08 | C09 | C10 | H091 | 120.3° | 119.9° |
| C08 | C09 | C10 | H092 | 120.3° | 120.0° |
| C08 | C09 | C10 | C11 | 83.0° | 180.0° |
| C09 | C08 | C07 | H072 | 44.7° | 59.9° |
| C09 | C08 | C07 | H071 | 75.2° | 60.0° |
| C09 | C08 | H082 | H081 | 119.0° | 120.1° |
| C08 | C09 | H091 | H092 | 119.1° | 120.0° |
| C08 | C09 | C10 | H101 | 156.4° | 60.0° |
| C08 | C09 | C10 | H102 | 37.6° | 60.0° |
| N27 | N28 | C11 | C10 | 179.8° | 179.8° |
| N27 | N28 | C11 | C12 | 0.1° | 0.4° |
| N28 | N27 | N13 | C14 | 179.9° | 179.7° |
| N28 | N27 | N13 | C12 | 0.2° | 0.3° |
| C11 | N28 | N27 | N13 | 0.2° | 0.5° |
| N28 | C11 | C10 | C09 | 51.3° | 55.3° |
| N28 | C11 | C10 | C12 | 179.7° | 179.8° |
| N28 | C11 | C12 | N13 | 0.0° | 0.2° |
| N28 | C11 | C10 | H101 | 171.9° | 175.3° |
| N28 | C11 | C10 | H102 | 69.2° | 64.7° |
| N28 | C11 | C12 | H121 | 180.0° | 179.8° |
| N27 | N13 | C12 | C11 | 0.1° | 0.1° |
| N27 | N13 | C14 | C12 | 179.7° | 179.9° |
| N27 | N13 | C14 | C15 | 122.8° | 55.0° |
| N27 | N13 | C12 | H121 | 179.9° | 180.0° |
| N27 | N13 | C14 | H141 | 2.8° | 175.0° |
| N27 | N13 | C14 | H142 | 117.3° | 64.9° |
| C09 | C10 | C11 | H101 | 120.6° | 120.0° |
| C09 | C10 | C11 | H102 | 120.6° | 120.0° |
| C09 | C10 | C11 | C12 | 129.0° | 125.0° |
| C10 | C09 | C08 | H082 | 31.6° | 60.0° |
| C10 | C09 | C08 | H081 | 87.7° | 60.0° |
| C10 | C09 | H091 | H092 | 119.1° | 120.0° |
| C09 | C10 | H101 | H102 | 118.2° | 120.0° |
| C10 | C11 | C12 | N13 | 179.7° | 180.0° |
| C11 | C10 | C09 | H091 | 37.3° | 60.0° |
| C11 | C10 | C09 | H092 | 156.7° | 60.0° |
| C11 | C10 | H101 | H102 | 118.3° | 120.0° |
| C10 | C11 | C12 | H121 | 0.2° | 0.1° |
| C11 | C12 | N13 | C14 | 179.9° | 180.0° |
| C11 | C12 | N13 | H121 | 180.0° | 180.0° |
| C12 | C11 | C10 | H101 | 8.4° | 4.9° |
| C12 | C11 | C10 | H102 | 110.4° | 115.1° |
| N13 | C14 | C15 | H141 | 119.9° | 120.0° |
| N13 | C14 | C15 | H142 | 119.9° | 120.0° |
| N13 | C14 | C15 | C16 | 93.3° | 180.0° |
| C14 | N13 | C12 | H121 | 0.2° | 0.0° |
| N13 | C14 | H141 | H142 | 120.1° | 120.1° |
| N13 | C14 | C15 | H152 | 27.0° | 60.0° |
| N13 | C14 | C15 | H151 | 146.4° | 60.0° |
| C12 | N13 | C14 | C15 | 57.5° | 125.0° |
| C12 | N13 | C14 | H141 | 177.5° | 5.1° |
| C12 | N13 | C14 | H142 | 62.4° | 115.0° |
| C14 | C15 | C16 | H152 | 120.3° | 120.0° |
| C14 | C15 | C16 | H151 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 80.1° | 180.0° |
| C15 | C14 | H141 | H142 | 120.2° | 120.0° |
| C14 | C15 | H152 | H151 | 119.1° | 120.0° |
| C14 | C15 | C16 | H161 | 40.4° | 60.0° |
| C14 | C15 | C16 | H162 | 159.5° | 60.0° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C18 | C19 | C20 | H191 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 179.9° | 180.0° |
| C19 | C18 | C17 | N26 | 0.2° | 0.3° |
| C18 | C19 | C20 | O21 | 179.9° | 180.0° |
| C18 | C19 | C20 | C22 | 0.0° | 0.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C18 | C17 | C16 | C15 | 73.2° | 125.3° |
| C18 | C17 | C16 | N26 | 180.0° | 179.7° |
| C18 | C17 | N26 | C22 | 0.0° | 0.5° |
| C18 | C17 | C16 | H161 | 47.2° | 5.3° |
| C18 | C17 | C16 | H162 | 166.4° | 114.8° |
| C17 | C18 | C19 | H191 | 179.8° | 180.0° |
| C19 | C20 | O21 | C22 | 179.9° | 180.0° |
| C19 | C20 | C22 | N26 | 0.2° | 0.2° |
| C19 | C20 | C22 | C23 | 179.9° | 180.0° |
| C20 | C19 | C18 | H181 | 179.8° | 180.0° |
| C19 | C20 | O21 | H211 | 180.0° | 90.1° |
| C15 | C16 | C17 | H161 | 120.4° | 120.0° |
| C15 | C16 | C17 | H162 | 120.4° | 120.0° |
| C15 | C16 | C17 | N26 | 106.8° | 55.0° |
| C16 | C15 | C14 | H141 | 146.8° | 60.0° |
| C16 | C15 | C14 | H142 | 26.6° | 60.0° |
| C16 | C15 | H152 | H151 | 119.1° | 120.0° |
| C15 | C16 | H161 | H162 | 118.7° | 120.0° |
| C16 | C17 | N26 | C22 | 179.9° | 179.7° |
| C17 | C16 | C15 | H152 | 159.6° | 60.0° |
| C17 | C16 | C15 | H151 | 40.2° | 60.0° |
| C17 | C16 | H161 | H162 | 118.8° | 120.0° |
| C16 | C17 | C18 | H181 | 0.2° | 0.0° |
| C17 | N26 | C22 | C20 | 0.2° | 0.5° |
| C17 | N26 | C22 | C23 | 180.0° | 179.7° |
| N26 | C17 | C16 | H161 | 132.8° | 175.0° |
| N26 | C17 | C16 | H162 | 13.6° | 65.0° |
| N26 | C17 | C18 | H181 | 179.8° | 179.8° |
| O21 | C20 | C22 | N26 | 179.9° | 179.8° |
| O21 | C20 | C22 | C23 | 0.2° | 0.0° |
| O21 | C20 | C19 | H191 | 0.1° | 0.1° |
| C20 | C22 | N26 | C23 | 179.8° | 179.8° |
| C20 | C22 | C23 | N24 | 63.8° | 180.0° |
| C22 | C20 | C19 | H191 | 180.0° | 180.0° |
| C20 | C22 | C23 | H231 | 116.1° | 0.0° |
| C22 | C20 | O21 | H211 | 0.1° | 89.9° |
| N26 | C22 | C23 | N24 | 116.4° | 0.3° |
| N26 | C22 | C23 | H231 | 63.6° | 179.8° |
| C22 | C23 | N24 | H231 | 180.0° | 179.9° |
| C22 | C23 | N24 | O25 | 0.0° | 0.0° |
| C23 | N24 | O25 | H251 | 180.0° | 179.9° |
| O25 | N24 | C23 | H231 | 180.0° | 179.9° |
| H021 | C02 | C03 | H031 | 141.1° | 65.1° |
| H021 | C02 | O01 | H011 | 60.1° | 60.0° |
| H022 | C02 | C03 | H031 | 98.7° | 175.0° |
| H022 | C02 | O01 | H011 | 60.1° | 60.0° |
| H031 | C03 | C33 | H331 | 179.8° | 177.7° |
| H051 | C05 | C29 | H291 | 60.1° | 177.7° |
| H072 | C07 | C08 | H082 | 165.0° | 60.0° |
| H072 | C07 | C08 | H081 | 75.7° | 180.0° |
| H071 | C07 | C08 | H082 | 45.1° | 180.0° |
| H071 | C07 | C08 | H081 | 164.4° | 60.0° |
| H082 | C08 | C09 | H091 | 151.9° | 180.0° |
| H082 | C08 | C09 | H092 | 88.7° | 60.0° |
| H081 | C08 | C09 | H091 | 32.6° | 60.0° |
| H081 | C08 | C09 | H092 | 152.0° | 180.0° |
| H091 | C09 | C10 | H101 | 83.3° | 179.9° |
| H091 | C09 | C10 | H102 | 157.9° | 59.9° |
| H092 | C09 | C10 | H101 | 36.1° | 60.0° |
| H092 | C09 | C10 | H102 | 82.7° | 180.0° |
| H141 | C14 | C15 | H152 | 92.9° | 60.0° |
| H141 | C14 | C15 | H151 | 26.5° | 180.0° |
| H142 | C14 | C15 | H152 | 146.9° | 180.0° |
| H142 | C14 | C15 | H151 | 93.7° | 60.0° |
| H152 | C15 | C16 | H161 | 79.9° | 180.0° |
| H152 | C15 | C16 | H162 | 39.2° | 60.0° |
| H151 | C15 | C16 | H161 | 160.7° | 60.0° |
| H151 | C15 | C16 | H162 | 80.2° | 180.0° |
| H181 | C18 | C19 | H191 | 0.2° | 0.0° |
| H291 | C29 | C31 | H311 | 89.9° | 177.1° |
| H291 | C29 | O30 | H301 | 61.3° | 60.2° |
| H311 | C31 | C33 | H331 | 146.0° | 177.2° |
| H311 | C31 | O32 | H321 | 62.3° | 60.1° |
| H331 | C33 | O34 | H341 | 60.8° | 59.9° |
