A1D8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C04 | N03 | sing | 1.40Å | 1.49Å | |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C09 | N08 | sing | 1.47Å | 1.46Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| N11 | C10 | sing | 1.47Å | 1.38Å | |
| C12 | N11 | sing | 1.47Å | 1.30Å | |
| C13 | N11 | sing | 1.47Å | 1.38Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N08 | C07 | sing | 1.40Å | 1.49Å | |
| C15 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.41Å | Aromatic |
| N03 | C02 | sing | 1.35Å | 1.49Å | |
| C17 | C02 | sing | 1.47Å | 1.56Å | |
| C18 | C17 | doub | 1.37Å | 1.37Å | Aromatic |
| N19 | C18 | sing | 1.36Å | 1.34Å | Aromatic |
| C20 | N19 | sing | 1.37Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C25 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | N22 | sing | 1.46Å | 1.47Å | |
| C26 | N22 | sing | 1.35Å | 1.35Å | Aromatic |
| N27 | C26 | doub | 1.30Å | 1.35Å | Aromatic |
| N22 | C21 | sing | 1.38Å | 1.35Å | Aromatic |
| C28 | C21 | doub | 1.39Å | 1.37Å | Aromatic |
| C29 | C28 | sing | 1.48Å | 1.55Å | |
| C30 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| F33 | C32 | sing | 1.35Å | 1.37Å | |
| C34 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.47Å | 1.55Å | |
| N36 | C20 | doub | 1.31Å | 1.35Å | Aromatic |
| C04 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| N08 | C14 | sing | 1.47Å | 1.46Å | |
| C17 | N36 | sing | 1.35Å | 1.33Å | Aromatic |
| N27 | C28 | sing | 1.35Å | 1.31Å | Aromatic |
| C29 | C35 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 123.9° | 120.0° |
| O01 | C02 | C17 | 120.5° | 120.0° |
| N03 | C04 | C05 | 124.4° | 120.0° |
| C04 | N03 | C02 | 126.6° | 120.0° |
| N03 | C04 | C16 | 116.4° | 120.0° |
| C04 | N03 | H031 | 116.7° | 120.0° |
| C04 | C05 | C06 | 120.0° | 119.9° |
| C05 | C04 | C16 | 119.2° | 120.0° |
| C04 | C05 | H051 | 120.0° | 120.1° |
| C05 | C06 | C07 | 120.8° | 120.0° |
| C06 | C05 | H051 | 120.0° | 120.0° |
| C05 | C06 | H061 | 119.6° | 119.9° |
| C06 | C07 | N08 | 120.5° | 120.0° |
| C06 | C07 | C15 | 118.9° | 120.0° |
| C07 | C06 | H061 | 119.6° | 120.0° |
| N08 | C09 | C10 | 114.3° | 109.4° |
| C09 | N08 | C07 | 120.8° | 111.0° |
| C09 | N08 | C14 | 107.8° | 110.9° |
| N08 | C09 | H091 | 108.2° | 109.5° |
| N08 | C09 | H092 | 108.3° | 109.5° |
| C09 | C10 | N11 | 113.8° | 109.4° |
| C09 | C10 | H101 | 108.4° | 109.5° |
| C09 | C10 | H102 | 108.4° | 109.4° |
| C10 | C09 | H091 | 108.2° | 109.5° |
| C10 | C09 | H092 | 108.2° | 109.5° |
| C10 | N11 | C12 | 114.6° | 111.0° |
| C10 | N11 | C13 | 112.7° | 110.9° |
| N11 | C10 | H101 | 108.4° | 109.5° |
| N11 | C10 | H102 | 108.4° | 109.5° |
| C12 | N11 | C13 | 114.9° | 111.0° |
| N11 | C12 | H122 | 109.5° | 109.5° |
| N11 | C12 | H123 | 109.5° | 109.5° |
| N11 | C12 | H121 | 109.5° | 109.5° |
| N11 | C13 | C14 | 112.4° | 109.4° |
| N11 | C13 | H131 | 108.7° | 109.5° |
| N11 | C13 | H132 | 108.7° | 109.5° |
| C13 | C14 | N08 | 113.4° | 109.4° |
| C14 | C13 | H131 | 108.7° | 109.5° |
| C14 | C13 | H132 | 108.7° | 109.5° |
| C13 | C14 | H141 | 108.5° | 109.5° |
| C13 | C14 | H142 | 108.5° | 109.5° |
| N08 | C07 | C15 | 120.6° | 120.0° |
| C07 | N08 | C14 | 119.6° | 111.0° |
| C07 | C15 | C16 | 120.3° | 120.0° |
| C07 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | C04 | 120.9° | 120.0° |
| C16 | C15 | H151 | 119.9° | 120.1° |
| C15 | C16 | H161 | 119.5° | 120.0° |
| N03 | C02 | C17 | 115.6° | 120.0° |
| C02 | N03 | H031 | 116.7° | 120.0° |
| C02 | C17 | C18 | 129.6° | 126.1° |
| C02 | C17 | N36 | 122.7° | 126.0° |
| C17 | C18 | N19 | 107.6° | 107.0° |
| C18 | C17 | N36 | 107.7° | 108.0° |
| C17 | C18 | H181 | 126.2° | 126.5° |
| C18 | N19 | C20 | 108.3° | 107.4° |
| N19 | C18 | H181 | 126.2° | 126.5° |
| C18 | N19 | H191 | 125.8° | 126.3° |
| N19 | C20 | C21 | 128.8° | 125.7° |
| N19 | C20 | N36 | 107.5° | 108.6° |
| C20 | N19 | H191 | 125.8° | 126.3° |
| C24 | C23 | C25 | 111.2° | 109.4° |
| C24 | C23 | N22 | 111.3° | 109.5° |
| C23 | C24 | H241 | 109.5° | 109.5° |
| C23 | C24 | H242 | 109.5° | 109.5° |
| C23 | C24 | H243 | 109.5° | 109.5° |
| C24 | C23 | H231 | 108.1° | 109.4° |
| C25 | C23 | N22 | 109.1° | 109.5° |
| C25 | C23 | H231 | 108.0° | 109.5° |
| C23 | C25 | H253 | 109.5° | 109.5° |
| C23 | C25 | H252 | 109.5° | 109.4° |
| C23 | C25 | H251 | 109.5° | 109.5° |
| C23 | N22 | C26 | 125.6° | 126.3° |
| C23 | N22 | C21 | 127.0° | 126.4° |
| N22 | C23 | H231 | 109.0° | 109.5° |
| N22 | C26 | N27 | 108.1° | 109.6° |
| C26 | N22 | C21 | 107.3° | 107.3° |
| N22 | C26 | H261 | 125.9° | 125.2° |
| C26 | N27 | C28 | 108.7° | 109.6° |
| N27 | C26 | H261 | 126.0° | 125.2° |
| N22 | C21 | C28 | 107.9° | 106.1° |
| N22 | C21 | C20 | 125.1° | 126.9° |
| C21 | C28 | C29 | 128.2° | 126.3° |
| C28 | C21 | C20 | 127.1° | 127.0° |
| C21 | C28 | N27 | 107.9° | 107.4° |
| C28 | C29 | C30 | 118.6° | 120.1° |
| C29 | C28 | N27 | 123.8° | 126.3° |
| C28 | C29 | C35 | 121.2° | 120.1° |
| C29 | C30 | C31 | 120.2° | 119.9° |
| C30 | C29 | C35 | 120.2° | 119.8° |
| C29 | C30 | H301 | 119.9° | 120.0° |
| C30 | C31 | C32 | 119.8° | 120.2° |
| C31 | C30 | H301 | 119.9° | 120.1° |
| C30 | C31 | H311 | 120.1° | 119.9° |
| C31 | C32 | F33 | 119.6° | 119.9° |
| C31 | C32 | C34 | 120.1° | 120.2° |
| C32 | C31 | H311 | 120.1° | 120.0° |
| F33 | C32 | C34 | 120.3° | 119.9° |
| C32 | C34 | C35 | 120.1° | 120.1° |
| C32 | C34 | H341 | 120.0° | 120.0° |
| C34 | C35 | C29 | 119.6° | 119.9° |
| C35 | C34 | H341 | 120.0° | 119.9° |
| C34 | C35 | H351 | 120.2° | 120.0° |
| C21 | C20 | N36 | 123.7° | 125.7° |
| C20 | N36 | C17 | 108.9° | 109.0° |
| C04 | C16 | H161 | 119.6° | 120.0° |
| N08 | C14 | H141 | 108.5° | 109.5° |
| N08 | C14 | H142 | 108.5° | 109.5° |
| C29 | C35 | H351 | 120.2° | 120.1° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.4° | 109.4° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H253 | C25 | H252 | 109.5° | 109.4° |
| H253 | C25 | H251 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 0.0° | 6.4° |
| O01 | C02 | N03 | C17 | 179.2° | 179.9° |
| O01 | C02 | C17 | C18 | 9.6° | 0.3° |
| O01 | C02 | C17 | N36 | 171.9° | 180.0° |
| O01 | C02 | N03 | H031 | 180.0° | 173.5° |
| N03 | C04 | C05 | C16 | 179.9° | 180.0° |
| N03 | C04 | C05 | C06 | 179.9° | 179.7° |
| N03 | C04 | C16 | C15 | 179.9° | 180.0° |
| C04 | N03 | C02 | H031 | 180.0° | 179.9° |
| C04 | N03 | C02 | C17 | 179.2° | 173.6° |
| N03 | C04 | C05 | H051 | 0.1° | 0.0° |
| N03 | C04 | C16 | H161 | 0.1° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.7° |
| C04 | C05 | C06 | C07 | 0.0° | 0.6° |
| C05 | C04 | C16 | C15 | 0.1° | 0.0° |
| C05 | C04 | N03 | C02 | 13.1° | 36.4° |
| C05 | C04 | N03 | H031 | 166.9° | 143.4° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| C05 | C04 | C16 | H161 | 179.9° | 180.0° |
| C05 | C06 | C07 | H061 | 180.0° | 179.4° |
| C05 | C06 | C07 | N08 | 179.9° | 179.5° |
| C05 | C06 | C07 | C15 | 0.1° | 0.6° |
| C06 | C05 | C04 | C16 | 0.0° | 0.3° |
| C06 | C07 | N08 | C09 | 168.3° | 123.8° |
| C06 | C07 | N08 | C15 | 179.9° | 179.9° |
| C06 | C07 | C15 | C16 | 0.1° | 0.3° |
| C06 | C07 | N08 | C14 | 53.4° | 0.0° |
| C06 | C07 | C15 | H151 | 179.9° | 180.0° |
| C07 | C06 | C05 | H051 | 180.0° | 179.7° |
| N08 | C09 | C10 | H091 | 120.7° | 120.0° |
| N08 | C09 | C10 | H092 | 120.7° | 120.0° |
| N08 | C09 | C10 | N11 | 49.8° | 58.4° |
| C09 | N08 | C14 | C13 | 51.5° | 59.3° |
| C09 | N08 | C07 | C14 | 138.3° | 123.8° |
| C09 | N08 | C07 | C15 | 11.9° | 56.2° |
| N08 | C09 | C10 | H101 | 170.4° | 178.4° |
| N08 | C09 | C10 | H102 | 70.9° | 61.6° |
| N08 | C09 | H091 | H092 | 117.8° | 120.0° |
| C09 | N08 | C14 | H141 | 69.1° | 60.7° |
| C09 | N08 | C14 | H142 | 172.1° | 179.3° |
| C09 | C10 | N11 | H101 | 120.6° | 120.0° |
| C09 | C10 | N11 | H102 | 120.7° | 119.9° |
| C09 | C10 | N11 | C12 | 82.5° | 64.6° |
| C09 | C10 | N11 | C13 | 51.3° | 59.3° |
| C10 | C09 | N08 | C07 | 169.0° | 176.9° |
| C10 | C09 | N08 | C14 | 48.4° | 59.3° |
| C09 | C10 | H101 | H102 | 118.0° | 120.0° |
| C10 | C09 | H091 | H092 | 117.8° | 120.1° |
| C10 | N11 | C12 | C13 | 132.8° | 123.8° |
| C10 | N11 | C13 | C14 | 54.3° | 59.3° |
| N11 | C10 | H101 | H102 | 118.0° | 120.1° |
| C10 | N11 | C13 | H131 | 174.7° | 179.3° |
| C10 | N11 | C13 | H132 | 66.1° | 60.7° |
| N11 | C10 | C09 | H091 | 70.9° | 178.4° |
| N11 | C10 | C09 | H092 | 170.5° | 61.6° |
| C10 | N11 | C12 | H122 | 180.0° | 63.8° |
| C10 | N11 | C12 | H123 | 60.0° | 56.2° |
| C10 | N11 | C12 | H121 | 60.0° | 176.2° |
| C12 | N11 | C13 | C14 | 79.4° | 64.6° |
| C12 | N11 | C10 | H101 | 38.2° | 55.4° |
| C12 | N11 | C10 | H102 | 156.9° | 175.5° |
| C12 | N11 | C13 | H131 | 41.0° | 55.4° |
| C12 | N11 | C13 | H132 | 160.2° | 175.5° |
| N11 | C12 | H122 | H123 | 120.0° | 120.0° |
| N11 | C12 | H122 | H121 | 120.0° | 120.0° |
| N11 | C12 | H123 | H121 | 120.0° | 120.0° |
| N11 | C13 | C14 | H131 | 120.4° | 120.0° |
| N11 | C13 | C14 | H132 | 120.4° | 120.0° |
| N11 | C13 | C14 | N08 | 56.3° | 58.4° |
| C13 | N11 | C10 | H101 | 172.0° | 179.3° |
| C13 | N11 | C10 | H102 | 69.3° | 60.6° |
| N11 | C13 | H131 | H132 | 118.7° | 120.0° |
| C13 | N11 | C12 | H122 | 47.2° | 60.0° |
| C13 | N11 | C12 | H123 | 72.8° | 180.0° |
| C13 | N11 | C12 | H121 | 167.2° | 60.0° |
| N11 | C13 | C14 | H141 | 64.3° | 61.6° |
| N11 | C13 | C14 | H142 | 176.8° | 178.4° |
| C13 | C14 | N08 | C07 | 165.3° | 176.8° |
| C13 | C14 | N08 | H141 | 120.6° | 120.0° |
| C13 | C14 | N08 | H142 | 120.6° | 120.0° |
| C14 | C13 | H131 | H132 | 118.7° | 120.1° |
| C13 | C14 | H141 | H142 | 118.2° | 120.1° |
| N08 | C07 | C15 | C16 | 180.0° | 179.7° |
| N08 | C07 | C15 | H151 | 0.1° | 0.1° |
| N08 | C07 | C06 | H061 | 0.1° | 0.1° |
| C07 | N08 | C09 | H091 | 70.3° | 56.8° |
| C07 | N08 | C09 | H092 | 48.2° | 63.2° |
| C07 | N08 | C14 | H141 | 74.1° | 63.2° |
| C07 | N08 | C14 | H142 | 44.7° | 56.8° |
| C07 | C15 | C16 | H151 | 180.0° | 179.6° |
| C07 | C15 | C16 | C04 | 0.1° | 0.0° |
| C15 | C07 | N08 | C14 | 126.4° | 180.0° |
| C15 | C07 | C06 | H061 | 180.0° | 180.0° |
| C07 | C15 | C16 | H161 | 179.9° | 180.0° |
| C15 | C16 | C04 | H161 | 180.0° | 180.0° |
| N03 | C02 | C17 | C18 | 169.6° | 179.8° |
| C02 | N03 | C04 | C16 | 166.8° | 143.5° |
| N03 | C02 | C17 | N36 | 8.9° | 0.1° |
| C02 | C17 | C18 | N36 | 178.6° | 179.7° |
| C02 | C17 | C18 | N19 | 179.3° | 179.9° |
| C02 | C17 | N36 | C20 | 179.5° | 179.9° |
| C17 | C02 | N03 | H031 | 0.8° | 6.6° |
| C02 | C17 | C18 | H181 | 0.7° | 0.0° |
| C17 | C18 | N19 | H181 | 180.0° | 180.0° |
| C17 | C18 | N19 | C20 | 0.3° | 0.0° |
| C18 | C17 | N36 | C20 | 0.7° | 0.4° |
| C17 | C18 | N19 | H191 | 179.7° | 179.8° |
| C18 | N19 | C20 | H191 | 180.0° | 179.7° |
| C18 | N19 | C20 | C21 | 179.6° | 180.0° |
| C18 | N19 | C20 | N36 | 0.2° | 0.2° |
| N19 | C18 | C17 | N36 | 0.6° | 0.2° |
| N19 | C20 | C21 | N22 | 143.2° | 14.8° |
| N19 | C20 | C21 | C28 | 37.1° | 165.5° |
| N19 | C20 | C21 | N36 | 179.4° | 179.7° |
| N19 | C20 | N36 | C17 | 0.6° | 0.4° |
| C20 | N19 | C18 | H181 | 179.7° | 180.0° |
| C24 | C23 | C25 | N22 | 123.2° | 120.0° |
| C24 | C23 | C25 | H231 | 118.4° | 120.0° |
| C24 | C23 | N22 | H231 | 119.1° | 120.0° |
| C24 | C23 | N22 | C26 | 29.4° | 54.7° |
| C24 | C23 | N22 | C21 | 151.1° | 125.5° |
| C23 | C24 | H241 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H243 | 120.0° | 120.0° |
| C23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C23 | C25 | H253 | 180.0° | 60.0° |
| C24 | C23 | C25 | H252 | 60.0° | 179.9° |
| C24 | C23 | C25 | H251 | 60.0° | 60.0° |
| C25 | C23 | N22 | H231 | 117.8° | 120.0° |
| C25 | C23 | N22 | C26 | 93.7° | 65.3° |
| C25 | C23 | N22 | C21 | 85.8° | 114.5° |
| C25 | C23 | C24 | H241 | 180.0° | 60.0° |
| C25 | C23 | C24 | H242 | 60.0° | 60.0° |
| C25 | C23 | C24 | H243 | 60.0° | 180.0° |
| C23 | C25 | H253 | H252 | 120.0° | 119.9° |
| C23 | C25 | H253 | H251 | 120.0° | 120.0° |
| C23 | C25 | H252 | H251 | 120.0° | 120.0° |
| C23 | N22 | C26 | C21 | 179.5° | 179.9° |
| C23 | N22 | C26 | N27 | 179.6° | 180.0° |
| C23 | N22 | C21 | C28 | 179.4° | 179.9° |
| C23 | N22 | C21 | C20 | 0.3° | 0.2° |
| N22 | C23 | C24 | H241 | 58.1° | 180.0° |
| N22 | C23 | C24 | H242 | 61.9° | 60.0° |
| N22 | C23 | C24 | H243 | 178.1° | 60.0° |
| C23 | N22 | C26 | H261 | 0.4° | 0.1° |
| N22 | C23 | C25 | H253 | 56.8° | 180.0° |
| N22 | C23 | C25 | H252 | 176.9° | 60.1° |
| N22 | C23 | C25 | H251 | 63.2° | 60.0° |
| N22 | C26 | N27 | H261 | 180.0° | 179.9° |
| C26 | N22 | C21 | C28 | 0.1° | 0.2° |
| C26 | N22 | C21 | C20 | 179.8° | 180.0° |
| N22 | C26 | N27 | C28 | 0.3° | 0.0° |
| C26 | N22 | C23 | H231 | 148.6° | 174.6° |
| N27 | C26 | N22 | C21 | 0.1° | 0.1° |
| C26 | N27 | C28 | C21 | 0.4° | 0.2° |
| C26 | N27 | C28 | C29 | 179.9° | 179.9° |
| N22 | C21 | C28 | C20 | 179.7° | 179.7° |
| N22 | C21 | C28 | C29 | 179.8° | 179.8° |
| N22 | C21 | C20 | N36 | 36.2° | 165.5° |
| N22 | C21 | C28 | N27 | 0.3° | 0.3° |
| C21 | N22 | C26 | H261 | 179.9° | 180.0° |
| C21 | N22 | C23 | H231 | 32.0° | 5.5° |
| C21 | C28 | C29 | N27 | 179.4° | 180.0° |
| C21 | C28 | C29 | C30 | 136.0° | 42.5° |
| C28 | C21 | C20 | N36 | 143.5° | 14.2° |
| C21 | C28 | C29 | C35 | 45.1° | 137.1° |
| C28 | C29 | C30 | C35 | 179.0° | 179.7° |
| C28 | C29 | C30 | C31 | 179.7° | 180.0° |
| C28 | C29 | C35 | C34 | 179.6° | 179.7° |
| C29 | C28 | C21 | C20 | 0.5° | 0.0° |
| C28 | C29 | C30 | H301 | 0.3° | 0.0° |
| C28 | C29 | C35 | H351 | 0.4° | 0.0° |
| C29 | C30 | C31 | H301 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.3° | 0.0° |
| C30 | C29 | C35 | C34 | 0.7° | 0.6° |
| C30 | C29 | C28 | N27 | 43.4° | 137.4° |
| C29 | C30 | C31 | H311 | 179.7° | 180.0° |
| C30 | C29 | C35 | H351 | 179.3° | 179.7° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | F33 | 179.9° | 180.0° |
| C30 | C31 | C32 | C34 | 0.0° | 0.1° |
| C31 | C30 | C29 | C35 | 0.7° | 0.3° |
| C31 | C32 | F33 | C34 | 179.9° | 180.0° |
| C31 | C32 | C34 | C35 | 0.0° | 0.2° |
| C32 | C31 | C30 | H301 | 179.6° | 180.0° |
| C31 | C32 | C34 | H341 | 180.0° | 180.0° |
| F33 | C32 | C34 | C35 | 179.9° | 179.8° |
| F33 | C32 | C31 | H311 | 0.1° | 0.0° |
| F33 | C32 | C34 | H341 | 0.1° | 0.0° |
| C32 | C34 | C35 | H341 | 180.0° | 179.8° |
| C32 | C34 | C35 | C29 | 0.4° | 0.5° |
| C34 | C32 | C31 | H311 | 180.0° | 180.0° |
| C32 | C34 | C35 | H351 | 179.6° | 179.8° |
| C34 | C35 | C29 | H351 | 180.0° | 179.7° |
| C21 | C20 | N36 | C17 | 180.0° | 179.9° |
| C20 | C21 | C28 | N27 | 180.0° | 180.0° |
| C21 | C20 | N19 | H191 | 0.4° | 0.3° |
| N36 | C20 | N19 | H191 | 179.9° | 180.0° |
| C04 | C16 | C15 | H151 | 179.9° | 179.7° |
| C16 | C04 | N03 | H031 | 13.2° | 36.6° |
| C16 | C04 | C05 | H051 | 180.0° | 180.0° |
| N08 | C14 | C13 | H131 | 176.7° | 178.4° |
| N08 | C14 | C13 | H132 | 64.2° | 61.6° |
| C14 | N08 | C09 | H091 | 72.3° | 179.3° |
| C14 | N08 | C09 | H092 | 169.1° | 60.7° |
| N08 | C14 | H141 | H142 | 118.2° | 120.0° |
| N36 | C17 | C18 | H181 | 179.3° | 179.8° |
| N27 | C28 | C29 | C35 | 135.5° | 42.9° |
| C28 | N27 | C26 | H261 | 179.7° | 179.8° |
| C35 | C29 | C30 | H301 | 179.3° | 179.7° |
| C29 | C35 | C34 | H341 | 179.6° | 179.7° |
| H101 | C10 | C09 | H091 | 49.7° | 61.6° |
| H101 | C10 | C09 | H092 | 68.8° | 58.4° |
| H102 | C10 | C09 | H091 | 168.4° | 58.3° |
| H102 | C10 | C09 | H092 | 49.9° | 178.4° |
| H131 | C13 | C14 | H141 | 56.1° | 58.4° |
| H131 | C13 | C14 | H142 | 62.7° | 61.6° |
| H132 | C13 | C14 | H141 | 175.3° | 178.4° |
| H132 | C13 | C14 | H142 | 56.4° | 58.4° |
| H151 | C15 | C16 | H161 | 0.1° | 0.3° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H241 | C24 | C23 | H231 | 61.6° | 60.0° |
| H242 | C24 | C23 | H231 | 178.4° | 180.0° |
| H243 | C24 | C23 | H231 | 58.4° | 60.0° |
| H051 | C05 | C06 | H061 | 0.0° | 0.3° |
| H122 | C12 | H123 | H121 | 120.0° | 120.0° |
| H181 | C18 | N19 | H191 | 0.3° | 0.3° |
| H231 | C23 | C25 | H253 | 61.6° | 59.9° |
| H231 | C23 | C25 | H252 | 58.4° | 60.0° |
| H231 | C23 | C25 | H251 | 178.4° | 180.0° |
| H253 | C25 | H252 | H251 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 0.4° | 0.0° |
| H341 | C34 | C35 | H351 | 0.4° | 0.0° |
