A1EX4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | N01 | sing | 1.47Å | 1.50Å | |
| C04 | C03 | sing | 1.51Å | 1.58Å | |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C07 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| N13 | C12 | sing | 1.47Å | 1.46Å | |
| C14 | N13 | sing | 1.34Å | 1.46Å | |
| O15 | C14 | doub | 1.22Å | 1.20Å | |
| C12 | C11 | sing | 1.51Å | 1.55Å | |
| C16 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.41Å | Aromatic |
| C08 | C07 | sing | 1.48Å | 1.57Å | |
| C18 | C07 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.62Å | |
| C20 | C02 | sing | 1.53Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N22 | C21 | sing | 1.47Å | 1.56Å | |
| N24 | C23 | doub | 1.33Å | 1.33Å | Aromatic |
| C25 | N24 | sing | 1.32Å | 1.33Å | Aromatic |
| N26 | C25 | doub | 1.31Å | 1.33Å | Aromatic |
| C27 | N26 | sing | 1.33Å | 1.35Å | Aromatic |
| C28 | C27 | doub | 1.41Å | 1.38Å | Aromatic |
| C29 | C28 | sing | 1.46Å | 1.42Å | Aromatic |
| C30 | C29 | doub | 1.34Å | 1.40Å | Aromatic |
| N31 | C30 | sing | 1.37Å | 1.32Å | Aromatic |
| C32 | N31 | sing | 1.46Å | 1.48Å | |
| F33 | C32 | sing | 1.40Å | 1.36Å | |
| F34 | C32 | sing | 1.40Å | 1.35Å | |
| C23 | N22 | sing | 1.38Å | 1.47Å | |
| C35 | N22 | sing | 1.47Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C02 | C36 | sing | 1.53Å | 1.49Å | |
| C04 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.48Å | 1.53Å | |
| C23 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
| C27 | N31 | sing | 1.37Å | 1.36Å | Aromatic |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H011 | sing | 1.01Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 83.9° | 109.5° |
| N01 | C02 | C20 | 91.4° | 109.6° |
| N01 | C02 | C36 | 86.5° | 109.5° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H011 | 109.5° | 111.0° |
| C03 | C04 | C05 | 117.5° | 119.9° |
| C04 | C03 | C02 | 106.6° | 109.5° |
| C03 | C04 | C19 | 121.6° | 119.8° |
| C04 | C03 | H031 | 110.2° | 109.5° |
| C04 | C03 | H032 | 110.2° | 109.4° |
| C04 | C05 | C06 | 119.6° | 120.1° |
| C05 | C04 | C19 | 120.9° | 120.3° |
| C04 | C05 | H051 | 120.2° | 120.0° |
| C05 | C06 | C07 | 119.7° | 119.9° |
| C06 | C05 | H051 | 120.2° | 120.0° |
| C05 | C06 | H061 | 120.1° | 120.0° |
| C06 | C07 | C08 | 117.5° | 120.1° |
| C06 | C07 | C18 | 120.7° | 119.8° |
| C07 | C06 | H061 | 120.2° | 120.1° |
| C08 | C09 | C10 | 121.0° | 120.1° |
| C09 | C08 | C07 | 119.5° | 119.9° |
| C09 | C08 | C17 | 119.7° | 120.0° |
| C08 | C09 | H091 | 119.5° | 120.0° |
| C09 | C10 | C11 | 119.3° | 120.1° |
| C10 | C09 | H091 | 119.5° | 119.9° |
| C09 | C10 | H101 | 120.3° | 120.0° |
| C10 | C11 | C12 | 133.0° | 133.0° |
| C10 | C11 | C16 | 118.8° | 120.5° |
| C11 | C10 | H101 | 120.3° | 119.9° |
| C12 | N13 | C14 | 108.9° | 108.8° |
| N13 | C12 | C11 | 106.9° | 106.2° |
| N13 | C12 | H122 | 110.1° | 110.1° |
| N13 | C12 | H121 | 110.1° | 110.1° |
| C12 | N13 | H131 | 125.6° | 125.6° |
| N13 | C14 | O15 | 129.2° | 124.9° |
| N13 | C14 | C16 | 107.1° | 110.3° |
| C14 | N13 | H131 | 125.6° | 125.6° |
| O15 | C14 | C16 | 123.7° | 124.8° |
| C12 | C11 | C16 | 108.2° | 106.4° |
| C11 | C12 | H122 | 110.1° | 110.1° |
| C11 | C12 | H121 | 110.1° | 110.1° |
| C11 | C16 | C17 | 121.7° | 119.5° |
| C11 | C16 | C14 | 108.9° | 108.2° |
| C16 | C17 | C08 | 119.4° | 119.8° |
| C17 | C16 | C14 | 129.3° | 132.3° |
| C16 | C17 | H171 | 120.3° | 120.1° |
| C08 | C07 | C18 | 121.8° | 120.1° |
| C07 | C08 | C17 | 120.8° | 120.0° |
| C07 | C18 | C19 | 119.2° | 119.9° |
| C07 | C18 | H181 | 120.4° | 120.0° |
| C18 | C19 | C04 | 119.9° | 120.1° |
| C19 | C18 | H181 | 120.4° | 120.1° |
| C18 | C19 | H191 | 120.1° | 119.9° |
| C03 | C02 | C20 | 117.6° | 109.6° |
| C03 | C02 | C36 | 121.8° | 109.5° |
| C02 | C03 | H031 | 110.2° | 109.5° |
| C02 | C03 | H032 | 110.2° | 109.5° |
| C02 | C20 | C21 | 111.2° | 109.3° |
| C20 | C02 | C36 | 119.8° | 109.2° |
| C02 | C20 | H202 | 109.0° | 109.6° |
| C02 | C20 | H201 | 109.0° | 109.5° |
| C20 | C21 | N22 | 114.0° | 109.5° |
| C20 | C21 | H211 | 108.3° | 109.4° |
| C20 | C21 | H212 | 108.3° | 109.5° |
| C21 | C20 | H202 | 109.1° | 109.5° |
| C21 | C20 | H201 | 109.0° | 109.4° |
| C21 | N22 | C23 | 113.9° | 111.0° |
| C21 | N22 | C35 | 111.7° | 111.3° |
| N22 | C21 | H211 | 108.3° | 109.4° |
| N22 | C21 | H212 | 108.3° | 109.5° |
| C23 | N24 | C25 | 120.1° | 121.0° |
| N24 | C23 | N22 | 118.5° | 120.8° |
| N24 | C23 | C28 | 120.5° | 118.4° |
| N24 | C25 | N26 | 121.8° | 122.7° |
| N24 | C25 | H251 | 119.1° | 118.6° |
| C25 | N26 | C27 | 120.5° | 120.7° |
| N26 | C25 | H251 | 119.1° | 118.6° |
| N26 | C27 | C28 | 120.4° | 118.6° |
| N26 | C27 | N31 | 130.6° | 134.2° |
| C27 | C28 | C29 | 104.7° | 106.2° |
| C27 | C28 | C23 | 116.7° | 118.7° |
| C28 | C27 | N31 | 109.0° | 107.2° |
| C28 | C29 | C30 | 108.4° | 106.8° |
| C29 | C28 | C23 | 138.5° | 135.1° |
| C28 | C29 | H291 | 125.8° | 126.6° |
| C29 | C30 | N31 | 106.7° | 109.8° |
| C30 | C29 | H291 | 125.8° | 126.6° |
| C29 | C30 | H301 | 126.7° | 125.1° |
| C30 | N31 | C32 | 127.9° | 124.9° |
| C30 | N31 | C27 | 111.1° | 110.0° |
| N31 | C30 | H301 | 126.7° | 125.1° |
| N31 | C32 | F33 | 111.6° | 109.5° |
| N31 | C32 | F34 | 112.8° | 109.5° |
| C32 | N31 | C27 | 121.0° | 125.0° |
| N31 | C32 | H321 | 108.3° | 109.5° |
| F33 | C32 | F34 | 104.3° | 109.4° |
| F33 | C32 | H321 | 109.9° | 109.5° |
| F34 | C32 | H321 | 110.0° | 109.5° |
| C23 | N22 | C35 | 118.9° | 111.0° |
| N22 | C23 | C28 | 121.0° | 120.8° |
| N22 | C35 | C36 | 114.0° | 109.5° |
| N22 | C35 | H351 | 108.3° | 109.5° |
| N22 | C35 | H352 | 108.3° | 109.5° |
| C35 | C36 | C02 | 110.5° | 109.3° |
| C35 | C36 | H361 | 109.2° | 109.5° |
| C35 | C36 | H362 | 109.2° | 109.5° |
| C36 | C35 | H351 | 108.3° | 109.4° |
| C36 | C35 | H352 | 108.3° | 109.5° |
| C02 | C36 | H361 | 109.2° | 109.5° |
| C02 | C36 | H362 | 109.2° | 109.6° |
| C04 | C19 | H191 | 120.0° | 120.0° |
| C08 | C17 | H171 | 120.3° | 120.1° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 110.1° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H1 | N01 | H011 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | C04 | 177.0° | 55.0° |
| N01 | C02 | C03 | C20 | 88.3° | 120.2° |
| N01 | C02 | C03 | C36 | 81.9° | 120.1° |
| N01 | C02 | C20 | C36 | 86.7° | 119.9° |
| N01 | C02 | C20 | C21 | 136.3° | 177.5° |
| N01 | C02 | C36 | C35 | 140.2° | 177.6° |
| N01 | C02 | C36 | H361 | 20.0° | 57.7° |
| N01 | C02 | C36 | H362 | 99.7° | 62.4° |
| N01 | C02 | C03 | H031 | 63.5° | 65.0° |
| N01 | C02 | C03 | H032 | 57.4° | 175.0° |
| N01 | C02 | C20 | H202 | 16.0° | 62.5° |
| N01 | C02 | C20 | H201 | 103.5° | 57.7° |
| C02 | N01 | H1 | H011 | 120.0° | 123.9° |
| C03 | C04 | C05 | C19 | 179.5° | 179.8° |
| C03 | C04 | C05 | C06 | 179.9° | 180.0° |
| C03 | C04 | C19 | C18 | 179.9° | 179.7° |
| C04 | C03 | C02 | H031 | 119.6° | 120.0° |
| C04 | C03 | C02 | H032 | 119.6° | 120.0° |
| C04 | C03 | C02 | C20 | 88.7° | 65.1° |
| C04 | C03 | C02 | C36 | 101.1° | 175.1° |
| C04 | C03 | H031 | H032 | 121.3° | 120.0° |
| C03 | C04 | C05 | H051 | 0.1° | 0.1° |
| C03 | C04 | C19 | H191 | 0.1° | 0.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 0.0° | 0.1° |
| C05 | C04 | C19 | C18 | 0.4° | 0.5° |
| C05 | C04 | C03 | C02 | 78.0° | 89.8° |
| C05 | C04 | C03 | H031 | 41.5° | 150.2° |
| C05 | C04 | C03 | H032 | 162.4° | 30.2° |
| C04 | C05 | C06 | H061 | 180.0° | 180.0° |
| C05 | C04 | C19 | H191 | 179.6° | 179.7° |
| C05 | C06 | C07 | H061 | 180.0° | 179.9° |
| C05 | C06 | C07 | C08 | 179.4° | 180.0° |
| C05 | C06 | C07 | C18 | 0.4° | 0.1° |
| C06 | C05 | C04 | C19 | 0.4° | 0.2° |
| C06 | C07 | C08 | C09 | 44.8° | 0.0° |
| C06 | C07 | C08 | C18 | 179.8° | 179.9° |
| C06 | C07 | C18 | C19 | 0.3° | 0.2° |
| C06 | C07 | C08 | C17 | 134.8° | 180.0° |
| C07 | C06 | C05 | H051 | 180.0° | 180.0° |
| C06 | C07 | C18 | H181 | 179.7° | 179.9° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.6° | 0.1° |
| C09 | C08 | C17 | C16 | 0.3° | 0.0° |
| C09 | C08 | C07 | C17 | 179.6° | 180.0° |
| C09 | C08 | C07 | C18 | 135.0° | 179.9° |
| C08 | C09 | C10 | H101 | 179.4° | 180.0° |
| C09 | C08 | C17 | H171 | 179.7° | 180.0° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 179.8° | 179.9° |
| C09 | C10 | C11 | C16 | 0.6° | 0.1° |
| C10 | C09 | C08 | C07 | 179.5° | 180.0° |
| C10 | C09 | C08 | C17 | 0.1° | 0.0° |
| C10 | C11 | C12 | N13 | 179.4° | 180.0° |
| C10 | C11 | C12 | C16 | 179.6° | 180.0° |
| C10 | C11 | C16 | C17 | 0.2° | 0.0° |
| C10 | C11 | C16 | C14 | 179.7° | 180.0° |
| C10 | C11 | C12 | H122 | 59.9° | 60.8° |
| C10 | C11 | C12 | H121 | 61.0° | 60.8° |
| C11 | C10 | C09 | H091 | 179.4° | 180.0° |
| C12 | N13 | C14 | H131 | 180.0° | 180.0° |
| C12 | N13 | C14 | O15 | 179.9° | 179.8° |
| N13 | C12 | C11 | H122 | 119.6° | 119.2° |
| N13 | C12 | C11 | H121 | 119.6° | 119.2° |
| N13 | C12 | C11 | C16 | 0.1° | 0.0° |
| C12 | N13 | C14 | C16 | 0.3° | 0.0° |
| N13 | C12 | H122 | H121 | 121.2° | 121.6° |
| N13 | C14 | O15 | C16 | 179.5° | 179.8° |
| C14 | N13 | C12 | C11 | 0.3° | 0.0° |
| N13 | C14 | C16 | C11 | 0.2° | 0.0° |
| N13 | C14 | C16 | C17 | 179.6° | 180.0° |
| C14 | N13 | C12 | H122 | 119.9° | 119.2° |
| C14 | N13 | C12 | H121 | 119.3° | 119.2° |
| O15 | C14 | C16 | C11 | 179.8° | 179.8° |
| O15 | C14 | C16 | C17 | 0.1° | 0.2° |
| O15 | C14 | N13 | H131 | 0.1° | 0.2° |
| C12 | C11 | C16 | C17 | 179.8° | 180.0° |
| C12 | C11 | C16 | C14 | 0.1° | 0.0° |
| C11 | C12 | H122 | H121 | 121.2° | 121.5° |
| C12 | C11 | C10 | H101 | 0.2° | 0.0° |
| C11 | C12 | N13 | H131 | 179.7° | 180.0° |
| C11 | C16 | C17 | C14 | 179.8° | 180.0° |
| C11 | C16 | C17 | C08 | 0.3° | 0.0° |
| C16 | C11 | C12 | H122 | 119.7° | 119.2° |
| C16 | C11 | C12 | H121 | 119.5° | 119.2° |
| C16 | C11 | C10 | H101 | 179.4° | 180.0° |
| C11 | C16 | C17 | H171 | 179.7° | 180.0° |
| C16 | C17 | C08 | C07 | 180.0° | 180.0° |
| C16 | C17 | C08 | H171 | 180.0° | 180.0° |
| C08 | C07 | C18 | C19 | 179.5° | 179.7° |
| C08 | C07 | C06 | H061 | 0.6° | 0.1° |
| C07 | C08 | C09 | H091 | 0.5° | 0.0° |
| C07 | C08 | C17 | H171 | 0.0° | 0.0° |
| C08 | C07 | C18 | H181 | 0.5° | 0.0° |
| C07 | C18 | C19 | H181 | 180.0° | 179.7° |
| C07 | C18 | C19 | C04 | 0.1° | 0.5° |
| C18 | C07 | C08 | C17 | 45.4° | 0.1° |
| C18 | C07 | C06 | H061 | 179.6° | 180.0° |
| C07 | C18 | C19 | H191 | 179.9° | 179.8° |
| C18 | C19 | C04 | H191 | 180.0° | 179.8° |
| C03 | C02 | C20 | C36 | 170.5° | 119.9° |
| C03 | C02 | C20 | C21 | 139.9° | 62.3° |
| C03 | C02 | C36 | C35 | 139.3° | 62.3° |
| C02 | C03 | C04 | C19 | 101.4° | 90.0° |
| C03 | C02 | C36 | H361 | 100.5° | 177.8° |
| C03 | C02 | C36 | H362 | 19.2° | 57.6° |
| C02 | C03 | H031 | H032 | 121.3° | 120.0° |
| C03 | C02 | C20 | H202 | 99.8° | 57.7° |
| C03 | C02 | C20 | H201 | 19.7° | 177.8° |
| C03 | C02 | N01 | H1 | 180.0° | 59.9° |
| C03 | C02 | N01 | H011 | 60.0° | 176.2° |
| C02 | C20 | C21 | H202 | 120.2° | 120.0° |
| C02 | C20 | C21 | H201 | 120.3° | 119.9° |
| C02 | C20 | C21 | N22 | 46.1° | 59.1° |
| C20 | C02 | C36 | C35 | 50.6° | 57.6° |
| C20 | C02 | C36 | H361 | 69.6° | 62.3° |
| C20 | C02 | C36 | H362 | 170.8° | 177.6° |
| C02 | C20 | C21 | H211 | 166.8° | 60.9° |
| C02 | C20 | C21 | H212 | 74.5° | 179.2° |
| C20 | C02 | C03 | H031 | 151.8° | 174.9° |
| C20 | C02 | C03 | H032 | 30.9° | 54.8° |
| C02 | C20 | H202 | H201 | 119.2° | 120.1° |
| C20 | C02 | N01 | H1 | 62.4° | 60.3° |
| C20 | C02 | N01 | H011 | 177.6° | 63.6° |
| C20 | C21 | N22 | H211 | 120.7° | 119.9° |
| C20 | C21 | N22 | H212 | 120.6° | 120.1° |
| C20 | C21 | N22 | C23 | 174.7° | 174.2° |
| C20 | C21 | N22 | C35 | 47.1° | 61.7° |
| C21 | C20 | C02 | C36 | 49.6° | 57.6° |
| C20 | C21 | H211 | H212 | 117.9° | 120.0° |
| C21 | C20 | H202 | H201 | 119.2° | 120.0° |
| C21 | N22 | C23 | N24 | 1.0° | 123.9° |
| C21 | N22 | C23 | C35 | 135.0° | 124.3° |
| C21 | N22 | C35 | C36 | 48.5° | 61.7° |
| C21 | N22 | C23 | C28 | 177.8° | 55.7° |
| C21 | N22 | C35 | H351 | 169.1° | 58.3° |
| C21 | N22 | C35 | H352 | 72.2° | 178.2° |
| N22 | C21 | H211 | H212 | 117.9° | 120.0° |
| N22 | C21 | C20 | H202 | 74.1° | 179.1° |
| N22 | C21 | C20 | H201 | 166.4° | 60.8° |
| C23 | N24 | C25 | N26 | 0.9° | 0.1° |
| N24 | C23 | C28 | C27 | 0.8° | 0.3° |
| N24 | C23 | C28 | C29 | 178.8° | 179.7° |
| N24 | C23 | N22 | C28 | 178.8° | 179.7° |
| N24 | C23 | N22 | C35 | 134.0° | 0.4° |
| C23 | N24 | C25 | H251 | 179.1° | 180.0° |
| N24 | C25 | N26 | H251 | 180.0° | 179.9° |
| N24 | C25 | N26 | C27 | 0.1° | 0.2° |
| C25 | N24 | C23 | N22 | 179.9° | 180.0° |
| C25 | N24 | C23 | C28 | 1.3° | 0.3° |
| C25 | N26 | C27 | C28 | 0.6° | 0.2° |
| C25 | N26 | C27 | N31 | 179.6° | 179.7° |
| N26 | C27 | C28 | N31 | 179.9° | 179.9° |
| N26 | C27 | C28 | C29 | 179.9° | 179.9° |
| N26 | C27 | N31 | C30 | 179.8° | 179.9° |
| N26 | C27 | N31 | C32 | 0.3° | 0.1° |
| N26 | C27 | C28 | C23 | 0.1° | 0.0° |
| C27 | N26 | C25 | H251 | 179.9° | 179.7° |
| C27 | C28 | C29 | C23 | 179.7° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C28 | C27 | N31 | C30 | 0.3° | 0.0° |
| C28 | C27 | N31 | C32 | 179.8° | 180.0° |
| C27 | C28 | C23 | N22 | 179.6° | 179.9° |
| C27 | C28 | C29 | H291 | 179.9° | 180.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | N31 | 0.1° | 0.0° |
| C29 | C28 | C23 | N22 | 0.0° | 0.0° |
| C29 | C28 | C27 | N31 | 0.2° | 0.0° |
| C28 | C29 | C30 | H301 | 179.9° | 180.0° |
| C29 | C30 | N31 | H301 | 180.0° | 180.0° |
| C29 | C30 | N31 | C32 | 179.7° | 180.0° |
| C30 | C29 | C28 | C23 | 179.8° | 179.9° |
| C29 | C30 | N31 | C27 | 0.2° | 0.0° |
| C30 | N31 | C32 | C27 | 179.4° | 179.9° |
| C30 | N31 | C32 | F33 | 55.7° | 120.1° |
| C30 | N31 | C32 | F34 | 61.3° | 120.0° |
| C30 | N31 | C32 | H321 | 176.7° | 0.0° |
| N31 | C30 | C29 | H291 | 179.9° | 180.0° |
| N31 | C32 | F33 | F34 | 122.1° | 120.0° |
| N31 | C32 | F33 | H321 | 120.1° | 120.1° |
| N31 | C32 | F34 | H321 | 121.0° | 120.1° |
| C32 | N31 | C30 | H301 | 0.3° | 0.0° |
| F33 | C32 | F34 | H321 | 117.8° | 119.9° |
| F33 | C32 | N31 | C27 | 123.7° | 60.0° |
| F34 | C32 | N31 | C27 | 119.2° | 59.9° |
| C23 | N22 | C35 | C36 | 175.6° | 174.1° |
| C23 | N22 | C35 | H351 | 54.9° | 65.9° |
| C23 | N22 | C35 | H352 | 63.7° | 54.1° |
| C23 | N22 | C21 | H211 | 54.0° | 65.9° |
| C23 | N22 | C21 | H212 | 64.7° | 54.1° |
| N22 | C35 | C36 | H351 | 120.7° | 120.0° |
| N22 | C35 | C36 | H352 | 120.7° | 120.0° |
| N22 | C35 | C36 | C02 | 48.2° | 59.1° |
| C35 | N22 | C23 | C28 | 47.2° | 180.0° |
| N22 | C35 | C36 | H361 | 71.9° | 60.8° |
| N22 | C35 | C36 | H362 | 168.4° | 179.2° |
| N22 | C35 | H351 | H352 | 117.9° | 120.0° |
| C35 | N22 | C21 | H211 | 167.8° | 58.3° |
| C35 | N22 | C21 | H212 | 73.5° | 178.2° |
| C35 | C36 | C02 | H361 | 120.2° | 119.9° |
| C35 | C36 | C02 | H362 | 120.2° | 120.0° |
| C35 | C36 | H361 | H362 | 119.5° | 120.1° |
| C36 | C35 | H351 | H352 | 117.9° | 120.0° |
| C02 | C36 | H361 | H362 | 119.5° | 120.2° |
| C02 | C36 | C35 | H351 | 168.9° | 60.9° |
| C02 | C36 | C35 | H352 | 72.5° | 179.2° |
| C36 | C02 | C03 | H031 | 18.5° | 55.1° |
| C36 | C02 | C03 | H032 | 139.4° | 64.9° |
| C36 | C02 | C20 | H202 | 70.7° | 177.6° |
| C36 | C02 | C20 | H201 | 169.8° | 62.3° |
| C36 | C02 | N01 | H1 | 57.4° | 180.0° |
| C36 | C02 | N01 | H011 | 62.6° | 56.1° |
| C19 | C04 | C03 | H031 | 139.0° | 30.0° |
| C19 | C04 | C03 | H032 | 18.1° | 150.0° |
| C19 | C04 | C05 | H051 | 179.6° | 179.7° |
| C04 | C19 | C18 | H181 | 179.9° | 179.8° |
| C08 | C17 | C16 | C14 | 179.8° | 180.0° |
| C17 | C08 | C09 | H091 | 179.9° | 180.0° |
| C14 | C16 | C17 | H171 | 0.2° | 0.0° |
| C16 | C14 | N13 | H131 | 179.7° | 180.0° |
| C23 | C28 | C27 | N31 | 180.0° | 180.0° |
| C23 | C28 | C29 | H291 | 0.2° | 0.1° |
| C27 | N31 | C32 | H321 | 2.7° | 180.0° |
| C27 | N31 | C30 | H301 | 179.8° | 180.0° |
| H361 | C36 | C35 | H351 | 48.7° | 179.2° |
| H361 | C36 | C35 | H352 | 167.4° | 59.3° |
| H362 | C36 | C35 | H351 | 71.0° | 59.2° |
| H362 | C36 | C35 | H352 | 47.7° | 60.8° |
| H211 | C21 | C20 | H202 | 46.6° | 59.2° |
| H211 | C21 | C20 | H201 | 72.9° | 179.2° |
| H212 | C21 | C20 | H202 | 165.2° | 60.8° |
| H212 | C21 | C20 | H201 | 45.7° | 59.3° |
| H122 | C12 | N13 | H131 | 60.1° | 60.8° |
| H121 | C12 | N13 | H131 | 60.7° | 60.8° |
| H051 | C05 | C06 | H061 | 0.0° | 0.1° |
| H091 | C09 | C10 | H101 | 0.6° | 0.1° |
| H181 | C18 | C19 | H191 | 0.1° | 0.0° |
| H291 | C29 | C30 | H301 | 0.1° | 0.0° |
