A1IYF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| N04 | C03 | sing | 1.47Å | 1.53Å | |
| C06 | C05 | sing | 1.53Å | 1.51Å | |
| C05 | N04 | sing | 1.47Å | 1.43Å | |
| C07 | N04 | sing | 1.35Å | 1.48Å | |
| O08 | C07 | doub | 1.22Å | 1.25Å | |
| N09 | C07 | sing | 1.35Å | 1.40Å | |
| C10 | N09 | sing | 1.46Å | 1.46Å | |
| C11 | C10 | sing | 1.52Å | 1.57Å | |
| N12 | C11 | sing | 1.47Å | 1.54Å | |
| C13 | N12 | sing | 1.36Å | 1.41Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.39Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.36Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.33Å | Aromatic |
| C21 | C19 | sing | 1.51Å | 1.37Å | |
| C18 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| F22 | C17 | sing | 1.35Å | 1.36Å | |
| C15 | C14 | sing | 1.47Å | 1.47Å | Aromatic |
| C23 | C14 | sing | 1.47Å | 1.44Å | |
| C24 | C23 | doub | 1.40Å | 1.36Å | |
| O26 | C25 | doub | 1.21Å | 1.20Å | |
| N27 | C25 | sing | 1.34Å | 1.42Å | |
| C28 | N27 | sing | 1.34Å | 1.40Å | |
| O29 | C28 | doub | 1.22Å | 1.21Å | |
| C25 | C24 | sing | 1.48Å | 1.46Å | |
| C30 | C24 | sing | 1.46Å | 1.46Å | |
| C31 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| N32 | C31 | sing | 1.32Å | 1.41Å | Aromatic |
| C33 | N32 | doub | 1.33Å | 1.39Å | Aromatic |
| N34 | C33 | sing | 1.37Å | 1.46Å | Aromatic |
| C35 | N34 | sing | 1.36Å | 1.42Å | Aromatic |
| C36 | C35 | doub | 1.35Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.44Å | Aromatic |
| C38 | C37 | doub | 1.36Å | 1.37Å | Aromatic |
| C01 | C06 | sing | 1.53Å | 1.50Å | |
| N09 | C21 | sing | 1.47Å | 1.43Å | |
| N12 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C28 | sing | 1.47Å | 1.53Å | |
| C30 | N34 | sing | 1.38Å | 1.44Å | Aromatic |
| C33 | C38 | sing | 1.41Å | 1.48Å | Aromatic |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 111.8° | 109.3° |
| C02 | C01 | C06 | 109.9° | 109.6° |
| C02 | C01 | H012 | 109.4° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C01 | C02 | H021 | 108.9° | 109.6° |
| C01 | C02 | H022 | 108.9° | 109.5° |
| C02 | C03 | N04 | 114.8° | 108.8° |
| C03 | C02 | H021 | 108.9° | 109.5° |
| C03 | C02 | H022 | 108.9° | 109.5° |
| C02 | C03 | H031 | 108.1° | 109.6° |
| C02 | C03 | H032 | 108.1° | 109.6° |
| C03 | N04 | C05 | 106.6° | 118.7° |
| C03 | N04 | C07 | 130.0° | 120.7° |
| N04 | C03 | H031 | 108.1° | 109.6° |
| N04 | C03 | H032 | 108.1° | 109.7° |
| C06 | C05 | N04 | 107.6° | 108.8° |
| C05 | C06 | C01 | 109.8° | 109.3° |
| C06 | C05 | H052 | 110.0° | 109.6° |
| C06 | C05 | H051 | 109.9° | 109.7° |
| C05 | C06 | H061 | 109.4° | 109.5° |
| C05 | C06 | H062 | 109.4° | 109.5° |
| C05 | N04 | C07 | 123.0° | 120.7° |
| N04 | C05 | H052 | 109.9° | 109.6° |
| N04 | C05 | H051 | 109.9° | 109.6° |
| N04 | C07 | O08 | 116.1° | 120.0° |
| N04 | C07 | N09 | 130.9° | 120.0° |
| O08 | C07 | N09 | 112.9° | 120.0° |
| C07 | N09 | C10 | 119.3° | 119.2° |
| C07 | N09 | C21 | 125.4° | 119.3° |
| N09 | C10 | C11 | 115.2° | 112.9° |
| C10 | N09 | C21 | 115.3° | 121.5° |
| N09 | C10 | H102 | 108.0° | 108.8° |
| N09 | C10 | H101 | 108.0° | 108.8° |
| C10 | C11 | N12 | 118.9° | 110.2° |
| C10 | C11 | H112 | 107.1° | 109.4° |
| C10 | C11 | H111 | 107.0° | 109.3° |
| C11 | C10 | H102 | 108.1° | 108.8° |
| C11 | C10 | H101 | 108.0° | 108.8° |
| C11 | N12 | C13 | 118.9° | 128.1° |
| C11 | N12 | C20 | 133.2° | 122.2° |
| N12 | C11 | H112 | 107.0° | 109.4° |
| N12 | C11 | H111 | 107.1° | 109.3° |
| N12 | C13 | C14 | 111.4° | 109.8° |
| C13 | N12 | C20 | 108.0° | 109.6° |
| N12 | C13 | H131 | 124.3° | 125.1° |
| C13 | C14 | C15 | 103.6° | 106.7° |
| C13 | C14 | C23 | 125.6° | 126.7° |
| C14 | C13 | H131 | 124.3° | 125.1° |
| C15 | C16 | C17 | 118.0° | 119.5° |
| C16 | C15 | C14 | 133.6° | 135.1° |
| C16 | C15 | C20 | 116.3° | 119.1° |
| C15 | C16 | H161 | 121.0° | 120.2° |
| C16 | C17 | C18 | 126.2° | 120.9° |
| C16 | C17 | F22 | 115.5° | 119.5° |
| C17 | C16 | H161 | 121.0° | 120.3° |
| C18 | C19 | C20 | 120.2° | 119.5° |
| C18 | C19 | C21 | 119.7° | 120.9° |
| C19 | C18 | C17 | 115.3° | 120.0° |
| C19 | C18 | H181 | 122.4° | 120.0° |
| C20 | C19 | C21 | 120.1° | 119.4° |
| C19 | C20 | N12 | 129.0° | 131.5° |
| C19 | C20 | C15 | 124.1° | 120.8° |
| C19 | C21 | N09 | 119.6° | 108.2° |
| C19 | C21 | H212 | 106.9° | 109.7° |
| C19 | C21 | H211 | 106.9° | 109.7° |
| C18 | C17 | F22 | 118.3° | 119.6° |
| C17 | C18 | H181 | 122.4° | 120.0° |
| C15 | C14 | C23 | 129.8° | 126.6° |
| C14 | C15 | C20 | 110.0° | 105.8° |
| C14 | C23 | C24 | 129.8° | 126.9° |
| C14 | C23 | C28 | 121.8° | 127.0° |
| C23 | C24 | C25 | 108.6° | 105.9° |
| C23 | C24 | C30 | 132.2° | 127.1° |
| C24 | C23 | C28 | 107.4° | 106.1° |
| O26 | C25 | N27 | 122.9° | 125.7° |
| O26 | C25 | C24 | 128.4° | 125.8° |
| C25 | N27 | C28 | 108.3° | 110.7° |
| N27 | C25 | C24 | 108.7° | 108.5° |
| C25 | N27 | H271 | 125.9° | 124.6° |
| N27 | C28 | O29 | 121.6° | 125.6° |
| N27 | C28 | C23 | 106.8° | 108.8° |
| C28 | N27 | H271 | 125.9° | 124.7° |
| O29 | C28 | C23 | 131.6° | 125.6° |
| C25 | C24 | C30 | 119.1° | 127.0° |
| C24 | C30 | C31 | 128.4° | 126.8° |
| C24 | C30 | N34 | 129.2° | 126.7° |
| C30 | C31 | N32 | 114.8° | 108.2° |
| C31 | C30 | N34 | 102.4° | 106.5° |
| C30 | C31 | H311 | 122.6° | 125.9° |
| C31 | N32 | C33 | 105.1° | 109.8° |
| N32 | C31 | H311 | 122.6° | 125.9° |
| N32 | C33 | N34 | 108.6° | 108.6° |
| N32 | C33 | C38 | 132.1° | 131.9° |
| C33 | N34 | C35 | 117.7° | 120.6° |
| C33 | N34 | C30 | 109.0° | 106.9° |
| N34 | C33 | C38 | 119.3° | 119.5° |
| N34 | C35 | C36 | 120.9° | 120.6° |
| C35 | N34 | C30 | 133.3° | 132.5° |
| N34 | C35 | H351 | 119.5° | 119.7° |
| C35 | C36 | C37 | 122.9° | 120.1° |
| C36 | C35 | H351 | 119.5° | 119.7° |
| C35 | C36 | H361 | 118.6° | 119.9° |
| C36 | C37 | C38 | 118.6° | 119.7° |
| C37 | C36 | H361 | 118.6° | 119.9° |
| C36 | C37 | H371 | 120.7° | 120.2° |
| C37 | C38 | C33 | 120.6° | 119.4° |
| C38 | C37 | H371 | 120.7° | 120.1° |
| C37 | C38 | H381 | 119.7° | 120.3° |
| C06 | C01 | H012 | 109.4° | 109.5° |
| C06 | C01 | H011 | 109.4° | 109.5° |
| C01 | C06 | H061 | 109.4° | 109.5° |
| C01 | C06 | H062 | 109.4° | 109.5° |
| N09 | C21 | H212 | 106.9° | 109.7° |
| N09 | C21 | H211 | 106.9° | 109.8° |
| N12 | C20 | C15 | 107.0° | 107.6° |
| C33 | C38 | H381 | 119.7° | 120.3° |
| H112 | C11 | H111 | 109.5° | 109.3° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H021 | C02 | H022 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.6° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 108.7° |
| H212 | C21 | H211 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H021 | 120.3° | 120.0° |
| C01 | C02 | C03 | H022 | 120.3° | 120.0° |
| C01 | C02 | C03 | N04 | 49.9° | 54.6° |
| C02 | C01 | C06 | C05 | 18.8° | 61.4° |
| C02 | C01 | C06 | H012 | 120.1° | 120.1° |
| C02 | C01 | C06 | H011 | 120.1° | 120.1° |
| C02 | C01 | H012 | H011 | 119.8° | 119.9° |
| C01 | C02 | H021 | H022 | 119.0° | 120.0° |
| C01 | C02 | C03 | H031 | 70.9° | 65.2° |
| C01 | C02 | C03 | H032 | 170.6° | 174.6° |
| C02 | C01 | C06 | H061 | 101.2° | 58.6° |
| C02 | C01 | C06 | H062 | 138.8° | 178.7° |
| C02 | C03 | N04 | H031 | 120.8° | 119.8° |
| C02 | C03 | N04 | H032 | 120.8° | 119.9° |
| C02 | C03 | N04 | C05 | 2.2° | 53.6° |
| C02 | C03 | N04 | C07 | 170.5° | 126.4° |
| C03 | C02 | C01 | C06 | 38.4° | 61.4° |
| C03 | C02 | C01 | H012 | 158.4° | 178.6° |
| C03 | C02 | C01 | H011 | 81.7° | 58.7° |
| C03 | C02 | H021 | H022 | 118.9° | 120.1° |
| C02 | C03 | H031 | H032 | 117.6° | 120.2° |
| C03 | N04 | C05 | C06 | 62.6° | 53.6° |
| C03 | N04 | C05 | C07 | 173.3° | 180.0° |
| C03 | N04 | C07 | O08 | 176.7° | 159.1° |
| C03 | N04 | C07 | N09 | 5.0° | 20.9° |
| N04 | C03 | C02 | H021 | 170.2° | 174.6° |
| N04 | C03 | C02 | H022 | 70.5° | 65.3° |
| N04 | C03 | H031 | H032 | 117.6° | 120.4° |
| C03 | N04 | C05 | H052 | 57.2° | 173.4° |
| C03 | N04 | C05 | H051 | 177.7° | 66.4° |
| C06 | C05 | N04 | H052 | 119.7° | 119.8° |
| C06 | C05 | N04 | H051 | 119.7° | 120.0° |
| C06 | C05 | N04 | C07 | 110.7° | 126.4° |
| C05 | C06 | C01 | H061 | 120.0° | 119.9° |
| C05 | C06 | C01 | H062 | 120.1° | 119.9° |
| C05 | C06 | C01 | H012 | 101.3° | 178.6° |
| C05 | C06 | C01 | H011 | 138.8° | 58.7° |
| C06 | C05 | H052 | H051 | 120.8° | 120.4° |
| C05 | C06 | H061 | H062 | 119.9° | 120.1° |
| C05 | N04 | C07 | O08 | 5.1° | 20.8° |
| C05 | N04 | C07 | N09 | 176.6° | 159.1° |
| N04 | C05 | C06 | C01 | 75.4° | 54.7° |
| C05 | N04 | C03 | H031 | 123.0° | 66.2° |
| C05 | N04 | C03 | H032 | 118.6° | 173.5° |
| N04 | C05 | H052 | H051 | 120.9° | 120.3° |
| N04 | C05 | C06 | H061 | 44.6° | 65.3° |
| N04 | C05 | C06 | H062 | 164.6° | 174.6° |
| N04 | C07 | O08 | N09 | 178.7° | 179.9° |
| N04 | C07 | N09 | C10 | 175.2° | 5.9° |
| N04 | C07 | N09 | C21 | 4.4° | 174.1° |
| C07 | N04 | C03 | H031 | 49.7° | 113.8° |
| C07 | N04 | C03 | H032 | 68.8° | 6.5° |
| C07 | N04 | C05 | H052 | 129.6° | 6.6° |
| C07 | N04 | C05 | H051 | 9.0° | 113.7° |
| O08 | C07 | N09 | C10 | 3.2° | 174.0° |
| O08 | C07 | N09 | C21 | 177.1° | 6.0° |
| C07 | N09 | C10 | C21 | 179.7° | 180.0° |
| C07 | N09 | C10 | C11 | 121.5° | 148.2° |
| C07 | N09 | C21 | C19 | 86.4° | 94.2° |
| C07 | N09 | C10 | H102 | 0.6° | 90.9° |
| C07 | N09 | C10 | H101 | 117.7° | 27.3° |
| C07 | N09 | C21 | H212 | 35.1° | 25.5° |
| C07 | N09 | C21 | H211 | 152.2° | 146.1° |
| N09 | C10 | C11 | H102 | 120.8° | 120.9° |
| N09 | C10 | C11 | H101 | 120.8° | 120.9° |
| N09 | C10 | C11 | N12 | 2.5° | 52.8° |
| C10 | N09 | C21 | C19 | 93.3° | 85.8° |
| N09 | C10 | C11 | H112 | 118.9° | 173.0° |
| N09 | C10 | C11 | H111 | 123.8° | 67.3° |
| N09 | C10 | H102 | H101 | 117.4° | 118.3° |
| C10 | N09 | C21 | H212 | 145.3° | 154.5° |
| C10 | N09 | C21 | H211 | 28.1° | 33.8° |
| C10 | C11 | N12 | H112 | 121.3° | 120.2° |
| C10 | C11 | N12 | H111 | 121.3° | 120.1° |
| C10 | C11 | N12 | C13 | 159.1° | 116.7° |
| C11 | C10 | N09 | C21 | 58.2° | 31.8° |
| C10 | C11 | N12 | C20 | 21.0° | 66.3° |
| C10 | C11 | H112 | H111 | 115.7° | 119.7° |
| C11 | C10 | H102 | H101 | 117.4° | 118.3° |
| C11 | N12 | C13 | C20 | 179.9° | 177.2° |
| C11 | N12 | C13 | C14 | 178.4° | 172.1° |
| C11 | N12 | C20 | C19 | 0.1° | 6.8° |
| C11 | N12 | C20 | C15 | 179.4° | 170.5° |
| N12 | C11 | H112 | H111 | 115.7° | 119.6° |
| N12 | C11 | C10 | H102 | 123.3° | 173.6° |
| N12 | C11 | C10 | H101 | 118.4° | 68.1° |
| C11 | N12 | C13 | H131 | 1.6° | 8.0° |
| N12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C13 | N12 | C20 | C19 | 179.8° | 175.8° |
| N12 | C13 | C14 | C15 | 2.9° | 1.3° |
| N12 | C13 | C14 | C23 | 172.6° | 178.7° |
| C13 | N12 | C20 | C15 | 0.7° | 6.9° |
| C13 | N12 | C11 | H112 | 37.8° | 3.5° |
| C13 | N12 | C11 | H111 | 79.5° | 123.2° |
| C13 | C14 | C15 | C16 | 179.5° | 176.1° |
| C13 | C14 | C15 | C23 | 169.0° | 180.0° |
| C13 | C14 | C23 | C24 | 139.1° | 75.3° |
| C14 | C13 | N12 | C20 | 1.5° | 5.1° |
| C13 | C14 | C15 | C20 | 3.4° | 2.9° |
| C13 | C14 | C23 | C28 | 28.1° | 105.1° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C16 | C15 | C20 | C19 | 1.0° | 4.3° |
| C15 | C16 | C17 | C18 | 1.4° | 1.1° |
| C15 | C16 | C17 | F22 | 179.9° | 178.9° |
| C16 | C15 | C14 | C20 | 176.1° | 179.0° |
| C16 | C15 | C14 | C23 | 11.5° | 3.8° |
| C16 | C15 | C20 | N12 | 179.4° | 173.3° |
| C16 | C17 | C18 | C19 | 1.0° | 0.3° |
| C16 | C17 | C18 | F22 | 178.7° | 180.0° |
| C17 | C16 | C15 | C14 | 177.2° | 179.9° |
| C17 | C16 | C15 | C20 | 1.3° | 1.1° |
| C16 | C17 | C18 | H181 | 179.0° | 179.7° |
| C18 | C19 | C20 | C21 | 179.1° | 175.9° |
| C19 | C18 | C17 | H181 | 180.0° | 179.9° |
| C19 | C18 | C17 | F22 | 179.7° | 179.7° |
| C18 | C19 | C21 | N09 | 130.5° | 136.0° |
| C18 | C19 | C20 | N12 | 179.8° | 171.8° |
| C18 | C19 | C20 | C15 | 0.7° | 5.2° |
| C18 | C19 | C21 | H212 | 9.1° | 16.4° |
| C18 | C19 | C21 | H211 | 108.1° | 104.3° |
| C20 | C19 | C18 | C17 | 0.6° | 2.9° |
| C19 | C20 | C15 | C14 | 177.9° | 176.5° |
| C20 | C19 | C21 | N09 | 48.6° | 39.9° |
| C19 | C20 | N12 | C15 | 179.5° | 177.3° |
| C20 | C19 | C18 | H181 | 179.4° | 177.2° |
| C20 | C19 | C21 | H212 | 170.0° | 159.5° |
| C20 | C19 | C21 | H211 | 72.8° | 79.8° |
| C21 | C19 | C18 | C17 | 178.6° | 173.0° |
| C19 | C21 | N09 | H212 | 121.4° | 119.6° |
| C19 | C21 | N09 | H211 | 121.4° | 119.7° |
| C21 | C19 | C20 | N12 | 1.0° | 12.3° |
| C21 | C19 | C20 | C15 | 178.4° | 170.8° |
| C21 | C19 | C18 | H181 | 1.4° | 7.0° |
| C19 | C21 | H212 | H211 | 115.4° | 120.6° |
| C18 | C17 | C16 | H161 | 178.7° | 178.9° |
| F22 | C17 | C16 | H161 | 0.1° | 1.1° |
| F22 | C17 | C18 | H181 | 0.3° | 0.3° |
| C15 | C14 | C23 | C24 | 27.7° | 104.7° |
| C14 | C15 | C20 | N12 | 2.5° | 5.9° |
| C15 | C14 | C23 | C28 | 165.0° | 75.0° |
| C15 | C14 | C13 | H131 | 177.0° | 178.6° |
| C14 | C15 | C16 | H161 | 2.8° | 0.1° |
| C14 | C23 | C24 | C28 | 168.6° | 179.7° |
| C14 | C23 | C28 | N27 | 173.5° | 179.9° |
| C14 | C23 | C28 | O29 | 8.2° | 0.0° |
| C14 | C23 | C24 | C25 | 172.2° | 180.0° |
| C14 | C23 | C24 | C30 | 9.7° | 0.0° |
| C23 | C14 | C15 | C20 | 172.4° | 177.1° |
| C23 | C14 | C13 | H131 | 7.4° | 1.4° |
| C23 | C24 | C25 | O26 | 177.6° | 179.9° |
| C23 | C24 | C25 | N27 | 2.2° | 0.0° |
| C24 | C23 | C28 | N27 | 3.7° | 0.4° |
| C24 | C23 | C28 | O29 | 177.9° | 179.7° |
| C23 | C24 | C25 | C30 | 178.4° | 180.0° |
| C23 | C24 | C30 | C31 | 130.8° | 58.4° |
| C23 | C24 | C30 | N34 | 49.1° | 121.9° |
| O26 | C25 | N27 | C24 | 179.8° | 179.9° |
| O26 | C25 | N27 | C28 | 179.9° | 179.8° |
| O26 | C25 | C24 | C30 | 0.8° | 0.1° |
| O26 | C25 | N27 | H271 | 0.1° | 0.2° |
| C25 | N27 | C28 | H271 | 180.0° | 179.6° |
| C25 | N27 | C28 | O29 | 179.1° | 179.7° |
| N27 | C25 | C24 | C30 | 179.5° | 180.0° |
| C25 | N27 | C28 | C23 | 2.4° | 0.4° |
| N27 | C28 | O29 | C23 | 178.1° | 179.9° |
| C28 | N27 | C25 | C24 | 0.3° | 0.3° |
| O29 | C28 | N27 | H271 | 0.9° | 0.1° |
| C25 | C24 | C30 | C31 | 47.1° | 121.6° |
| C25 | C24 | C23 | C28 | 3.5° | 0.3° |
| C25 | C24 | C30 | N34 | 132.9° | 58.1° |
| C24 | C25 | N27 | H271 | 179.7° | 179.9° |
| C24 | C30 | C31 | N34 | 180.0° | 179.8° |
| C24 | C30 | C31 | N32 | 178.9° | 180.0° |
| C24 | C30 | N34 | C33 | 179.7° | 179.8° |
| C24 | C30 | N34 | C35 | 1.2° | 0.0° |
| C30 | C24 | C23 | C28 | 178.4° | 179.8° |
| C24 | C30 | C31 | H311 | 1.1° | 0.0° |
| C30 | C31 | N32 | H311 | 180.0° | 180.0° |
| C30 | C31 | N32 | C33 | 1.5° | 0.0° |
| C31 | C30 | N34 | C33 | 0.3° | 0.4° |
| C31 | C30 | N34 | C35 | 178.8° | 179.7° |
| C31 | N32 | C33 | N34 | 1.1° | 0.3° |
| N32 | C31 | C30 | N34 | 1.1° | 0.3° |
| C31 | N32 | C33 | C38 | 179.1° | 180.0° |
| N32 | C33 | N34 | C38 | 179.8° | 179.8° |
| N32 | C33 | N34 | C35 | 179.8° | 179.7° |
| N32 | C33 | C38 | C37 | 178.9° | 179.2° |
| N32 | C33 | N34 | C30 | 0.5° | 0.4° |
| C33 | N32 | C31 | H311 | 178.6° | 180.0° |
| N32 | C33 | C38 | H381 | 1.0° | 0.0° |
| C33 | N34 | C35 | C30 | 179.1° | 179.9° |
| C33 | N34 | C35 | C36 | 1.5° | 0.2° |
| N34 | C33 | C38 | C37 | 0.8° | 0.5° |
| C33 | N34 | C35 | H351 | 178.5° | 179.8° |
| N34 | C33 | C38 | H381 | 179.2° | 179.7° |
| N34 | C35 | C36 | H351 | 180.0° | 180.0° |
| N34 | C35 | C36 | C37 | 1.5° | 0.0° |
| C35 | N34 | C33 | C38 | 0.4° | 0.1° |
| N34 | C35 | C36 | H361 | 178.5° | 180.0° |
| C35 | C36 | C37 | H361 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 0.3° | 0.5° |
| C36 | C35 | N34 | C30 | 179.4° | 180.0° |
| C35 | C36 | C37 | H371 | 179.8° | 180.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.5° |
| C36 | C37 | C38 | C33 | 0.9° | 0.7° |
| C37 | C36 | C35 | H351 | 178.5° | 180.0° |
| C36 | C37 | C38 | H381 | 179.1° | 179.9° |
| C37 | C38 | C33 | H381 | 180.0° | 179.2° |
| C38 | C37 | C36 | H361 | 179.7° | 179.5° |
| C06 | C01 | H012 | H011 | 119.8° | 120.0° |
| C06 | C01 | C02 | H021 | 158.7° | 178.7° |
| C06 | C01 | C02 | H022 | 82.0° | 58.6° |
| C01 | C06 | C05 | H052 | 44.3° | 174.4° |
| C01 | C06 | C05 | H051 | 164.9° | 65.3° |
| C01 | C06 | H061 | H062 | 119.8° | 120.1° |
| C21 | N09 | C10 | H102 | 179.1° | 89.1° |
| C21 | N09 | C10 | H101 | 62.6° | 152.7° |
| N09 | C21 | H212 | H211 | 115.4° | 120.7° |
| C20 | N12 | C11 | H112 | 142.3° | 173.4° |
| C20 | N12 | C11 | H111 | 100.4° | 53.8° |
| C20 | N12 | C13 | H131 | 178.4° | 174.8° |
| C20 | C15 | C16 | H161 | 178.7° | 178.9° |
| C23 | C28 | N27 | H271 | 177.6° | 180.0° |
| C30 | N34 | C33 | C38 | 179.7° | 179.8° |
| N34 | C30 | C31 | H311 | 178.9° | 179.8° |
| C30 | N34 | C35 | H351 | 0.6° | 0.1° |
| C33 | C38 | C37 | H371 | 179.1° | 179.8° |
| H112 | C11 | C10 | H102 | 2.0° | 66.1° |
| H112 | C11 | C10 | H101 | 120.3° | 52.1° |
| H111 | C11 | C10 | H102 | 115.4° | 53.6° |
| H111 | C11 | C10 | H101 | 3.0° | 171.8° |
| H012 | C01 | C02 | H021 | 81.2° | 58.6° |
| H012 | C01 | C02 | H022 | 38.1° | 61.4° |
| H012 | C01 | C06 | H061 | 138.7° | 61.5° |
| H012 | C01 | C06 | H062 | 18.8° | 58.7° |
| H011 | C01 | C02 | H021 | 38.6° | 61.3° |
| H011 | C01 | C02 | H022 | 158.0° | 178.7° |
| H011 | C01 | C06 | H061 | 18.8° | 178.7° |
| H011 | C01 | C06 | H062 | 101.1° | 61.2° |
| H021 | C02 | C03 | H031 | 49.4° | 54.8° |
| H021 | C02 | C03 | H032 | 69.0° | 65.4° |
| H022 | C02 | C03 | H031 | 168.8° | 174.8° |
| H022 | C02 | C03 | H032 | 50.3° | 54.6° |
| H052 | C05 | C06 | H061 | 164.4° | 54.5° |
| H052 | C05 | C06 | H062 | 75.7° | 65.6° |
| H051 | C05 | C06 | H061 | 75.1° | 174.8° |
| H051 | C05 | C06 | H062 | 44.9° | 54.7° |
| H351 | C35 | C36 | H361 | 1.5° | 0.0° |
| H361 | C36 | C37 | H371 | 0.2° | 0.0° |
| H371 | C37 | C38 | H381 | 0.9° | 0.6° |






