A1C4S
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 | 1.52Å | |
| C05 | N04 | sing | 1.35Å | 1.46Å | |
| O06 | C05 | doub | 1.22Å | 1.18Å | |
| N07 | C05 | sing | 1.35Å | 1.46Å | |
| C08 | N07 | sing | 1.40Å | 1.46Å | |
| C09 | C08 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.41Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.36Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.36Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.42Å | Aromatic |
| C15 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | C14 | sing | 1.51Å | 1.57Å | |
| C19 | C18 | sing | 1.53Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.48Å | |
| C21 | C20 | sing | 1.51Å | 1.52Å | |
| O22 | C21 | doub | 1.21Å | 1.18Å | |
| N23 | C21 | sing | 1.34Å | 1.49Å | |
| C24 | N23 | sing | 1.34Å | 1.49Å | |
| O25 | C24 | doub | 1.21Å | 1.18Å | |
| N04 | C02 | sing | 1.47Å | 1.46Å | |
| C26 | C02 | sing | 1.51Å | 1.53Å | |
| C27 | C26 | doub | 1.32Å | 1.43Å | Aromatic |
| C28 | C27 | sing | 1.45Å | 1.49Å | Aromatic |
| C29 | C28 | doub | 1.40Å | 1.38Å | Aromatic |
| S30 | C29 | sing | 1.76Å | 1.66Å | Aromatic |
| C31 | C29 | sing | 1.40Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.37Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.36Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C35 | C32 | sing | 1.51Å | 1.52Å | |
| F36 | C35 | sing | 1.40Å | 1.36Å | |
| F37 | C35 | sing | 1.40Å | 1.36Å | |
| F38 | C35 | sing | 1.40Å | 1.36Å | |
| C08 | C17 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C17 | sing | 1.42Å | 1.36Å | Aromatic |
| C18 | C24 | sing | 1.51Å | 1.54Å | |
| C26 | S30 | sing | 1.75Å | 1.67Å | Aromatic |
| C28 | C34 | sing | 1.41Å | 1.41Å | Aromatic |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 109.4° | 109.5° |
| C01 | C02 | N04 | 107.1° | 109.5° |
| C01 | C02 | C26 | 108.6° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C03 | C02 | N04 | 108.6° | 109.4° |
| C03 | C02 | C26 | 107.7° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.4° |
| N04 | C05 | O06 | 121.0° | 120.0° |
| N04 | C05 | N07 | 118.3° | 120.0° |
| C05 | N04 | C02 | 123.6° | 120.0° |
| C05 | N04 | H041 | 118.2° | 120.1° |
| O06 | C05 | N07 | 120.7° | 120.0° |
| C05 | N07 | C08 | 122.3° | 120.0° |
| C05 | N07 | H071 | 118.9° | 120.0° |
| N07 | C08 | C09 | 122.3° | 120.3° |
| N07 | C08 | C17 | 117.9° | 120.3° |
| C08 | N07 | H071 | 118.8° | 120.0° |
| C08 | C09 | C10 | 119.8° | 120.7° |
| C09 | C08 | C17 | 119.8° | 119.4° |
| C08 | C09 | H091 | 120.1° | 119.7° |
| C09 | C10 | C11 | 120.2° | 121.1° |
| C09 | C10 | H101 | 119.9° | 119.5° |
| C10 | C09 | H091 | 120.1° | 119.6° |
| C10 | C11 | C12 | 120.0° | 120.0° |
| C11 | C10 | H101 | 119.9° | 119.4° |
| C10 | C11 | H111 | 120.0° | 120.0° |
| C11 | C12 | C13 | 120.5° | 121.2° |
| C11 | C12 | C17 | 119.6° | 119.4° |
| C12 | C11 | H111 | 120.0° | 120.0° |
| C12 | C13 | C14 | 120.0° | 119.7° |
| C13 | C12 | C17 | 119.8° | 119.3° |
| C12 | C13 | H131 | 120.0° | 120.2° |
| C13 | C14 | C15 | 119.8° | 121.0° |
| C13 | C14 | C18 | 121.1° | 119.5° |
| C14 | C13 | H131 | 120.0° | 120.1° |
| C15 | C16 | C17 | 119.9° | 119.7° |
| C16 | C15 | C14 | 120.2° | 120.9° |
| C16 | C15 | H151 | 119.9° | 119.6° |
| C15 | C16 | H161 | 120.0° | 120.1° |
| C16 | C17 | C08 | 119.3° | 121.2° |
| C16 | C17 | C12 | 120.2° | 119.4° |
| C17 | C16 | H161 | 120.0° | 120.2° |
| C15 | C14 | C18 | 119.1° | 119.5° |
| C14 | C15 | H151 | 119.9° | 119.5° |
| C14 | C18 | C19 | 109.5° | 109.5° |
| C14 | C18 | C24 | 106.4° | 109.6° |
| C14 | C18 | H181 | 108.3° | 109.5° |
| C18 | C19 | C20 | 111.1° | 108.6° |
| C19 | C18 | C24 | 114.3° | 109.2° |
| C19 | C18 | H181 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.0° | 109.6° |
| C18 | C19 | H191 | 109.1° | 109.6° |
| C19 | C20 | C21 | 111.0° | 109.2° |
| C19 | C20 | H202 | 109.1° | 109.5° |
| C19 | C20 | H201 | 109.1° | 109.5° |
| C20 | C19 | H192 | 109.1° | 109.6° |
| C20 | C19 | H191 | 109.0° | 109.6° |
| C20 | C21 | O22 | 124.1° | 119.4° |
| C20 | C21 | N23 | 113.0° | 121.3° |
| C21 | C20 | H202 | 109.1° | 109.5° |
| C21 | C20 | H201 | 109.1° | 109.6° |
| O22 | C21 | N23 | 122.9° | 119.4° |
| C21 | N23 | C24 | 121.7° | 122.6° |
| C21 | N23 | H231 | 119.1° | 118.7° |
| N23 | C24 | O25 | 121.4° | 119.4° |
| N23 | C24 | C18 | 116.2° | 121.3° |
| C24 | N23 | H231 | 119.1° | 118.7° |
| O25 | C24 | C18 | 122.4° | 119.3° |
| N04 | C02 | C26 | 115.3° | 109.5° |
| C02 | N04 | H041 | 118.2° | 119.9° |
| C02 | C26 | C27 | 127.8° | 124.3° |
| C02 | C26 | S30 | 123.3° | 124.3° |
| C26 | C27 | C28 | 109.1° | 114.9° |
| C27 | C26 | S30 | 108.8° | 111.4° |
| C26 | C27 | H271 | 125.4° | 122.6° |
| C27 | C28 | C29 | 114.8° | 111.9° |
| C27 | C28 | C34 | 124.8° | 129.3° |
| C28 | C27 | H271 | 125.4° | 122.6° |
| C28 | C29 | S30 | 108.0° | 109.7° |
| C28 | C29 | C31 | 120.0° | 119.7° |
| C29 | C28 | C34 | 120.4° | 118.8° |
| S30 | C29 | C31 | 132.0° | 130.6° |
| C29 | S30 | C26 | 99.3° | 92.2° |
| C29 | C31 | C32 | 119.7° | 120.2° |
| C29 | C31 | H311 | 120.2° | 119.9° |
| C31 | C32 | C33 | 120.8° | 120.2° |
| C31 | C32 | C35 | 118.0° | 119.9° |
| C32 | C31 | H311 | 120.2° | 120.0° |
| C34 | C33 | C32 | 119.5° | 120.6° |
| C33 | C34 | C28 | 119.7° | 120.4° |
| C34 | C33 | H331 | 120.2° | 119.7° |
| C33 | C34 | H341 | 120.2° | 119.8° |
| C33 | C32 | C35 | 121.2° | 119.9° |
| C32 | C33 | H331 | 120.2° | 119.7° |
| C32 | C35 | F36 | 107.7° | 109.5° |
| C32 | C35 | F37 | 109.4° | 109.5° |
| C32 | C35 | F38 | 110.4° | 109.5° |
| F36 | C35 | F37 | 110.0° | 109.5° |
| F36 | C35 | F38 | 109.2° | 109.5° |
| F37 | C35 | F38 | 110.2° | 109.5° |
| C08 | C17 | C12 | 120.5° | 119.4° |
| C24 | C18 | H181 | 108.6° | 109.5° |
| C28 | C34 | H341 | 120.2° | 119.8° |
| H202 | C20 | H201 | 109.4° | 109.6° |
| H011 | C01 | H012 | 109.5° | 109.6° |
| H011 | C01 | H013 | 109.4° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H033 | C03 | H032 | 109.5° | 109.5° |
| H033 | C03 | H031 | 109.4° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N04 | 116.6° | 119.9° |
| C01 | C02 | C03 | C26 | 117.9° | 120.1° |
| C01 | C02 | N04 | C05 | 179.6° | 59.9° |
| C01 | C02 | N04 | C26 | 121.0° | 120.1° |
| C01 | C02 | C26 | C27 | 143.0° | 59.7° |
| C01 | C02 | C26 | S30 | 38.3° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.1° |
| C02 | C01 | H011 | H013 | 120.0° | 119.9° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H033 | 180.0° | 180.0° |
| C01 | C02 | C03 | H032 | 60.0° | 59.9° |
| C01 | C02 | C03 | H031 | 60.0° | 60.0° |
| C01 | C02 | N04 | H041 | 0.4° | 120.1° |
| C03 | C02 | N04 | C05 | 61.6° | 60.0° |
| C03 | C02 | N04 | C26 | 120.9° | 120.0° |
| C03 | C02 | C26 | C27 | 98.6° | 60.3° |
| C03 | C02 | C26 | S30 | 80.1° | 120.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.1° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 180.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.1° |
| C02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C02 | C03 | H032 | H031 | 120.0° | 119.9° |
| C03 | C02 | N04 | H041 | 118.5° | 120.0° |
| N04 | C05 | O06 | N07 | 180.0° | 179.9° |
| N04 | C05 | N07 | C08 | 178.7° | 174.4° |
| C05 | N04 | C02 | H041 | 180.0° | 180.0° |
| C05 | N04 | C02 | C26 | 59.4° | 180.0° |
| N04 | C05 | N07 | H071 | 1.3° | 5.6° |
| O06 | C05 | N07 | C08 | 1.3° | 5.7° |
| O06 | C05 | N04 | C02 | 1.2° | 0.1° |
| O06 | C05 | N04 | H041 | 178.8° | 180.0° |
| O06 | C05 | N07 | H071 | 178.7° | 174.3° |
| C05 | N07 | C08 | H071 | 180.0° | 180.0° |
| C05 | N07 | C08 | C09 | 37.2° | 24.8° |
| N07 | C05 | N04 | C02 | 178.8° | 180.0° |
| C05 | N07 | C08 | C17 | 142.2° | 155.2° |
| N07 | C05 | N04 | H041 | 1.2° | 0.0° |
| N07 | C08 | C09 | C17 | 179.4° | 180.0° |
| N07 | C08 | C09 | C10 | 179.5° | 179.5° |
| N07 | C08 | C17 | C16 | 0.5° | 0.0° |
| N07 | C08 | C17 | C12 | 179.6° | 179.5° |
| N07 | C08 | C09 | H091 | 0.6° | 0.5° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 0.1° | 0.3° |
| C09 | C08 | C17 | C16 | 180.0° | 180.0° |
| C09 | C08 | C17 | C12 | 0.1° | 0.5° |
| C08 | C09 | C10 | H101 | 179.9° | 179.9° |
| C09 | C08 | N07 | H071 | 142.8° | 155.2° |
| C09 | C10 | C11 | H101 | 180.0° | 179.6° |
| C09 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C09 | C08 | C17 | 0.1° | 0.6° |
| C09 | C10 | C11 | H111 | 179.9° | 180.0° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 179.9° | 180.0° |
| C10 | C11 | C12 | C17 | 0.0° | 0.0° |
| C11 | C10 | C09 | H091 | 179.9° | 179.7° |
| C11 | C12 | C13 | C17 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 179.9° | 179.9° |
| C11 | C12 | C17 | C16 | 180.0° | 179.7° |
| C11 | C12 | C17 | C08 | 0.1° | 0.2° |
| C12 | C11 | C10 | H101 | 179.9° | 179.7° |
| C11 | C12 | C13 | H131 | 0.1° | 0.0° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C13 | C12 | C17 | C16 | 0.1° | 0.2° |
| C12 | C13 | C14 | C15 | 0.2° | 0.1° |
| C12 | C13 | C14 | C18 | 179.4° | 179.7° |
| C13 | C12 | C17 | C08 | 179.8° | 179.7° |
| C13 | C12 | C11 | H111 | 0.1° | 0.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.3° |
| C13 | C14 | C15 | C18 | 179.1° | 179.6° |
| C13 | C14 | C18 | C19 | 91.1° | 120.6° |
| C14 | C13 | C12 | C17 | 0.1° | 0.0° |
| C13 | C14 | C18 | C24 | 144.8° | 119.7° |
| C13 | C14 | C15 | H151 | 179.5° | 179.9° |
| C13 | C14 | C18 | H181 | 28.2° | 0.5° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C16 | C15 | C14 | H151 | 180.0° | 179.8° |
| C16 | C15 | C14 | C18 | 179.6° | 179.9° |
| C15 | C16 | C17 | C08 | 180.0° | 179.9° |
| C15 | C16 | C17 | C12 | 0.1° | 0.4° |
| C17 | C16 | C15 | C14 | 0.4° | 0.5° |
| C16 | C17 | C08 | C12 | 179.9° | 179.5° |
| C17 | C16 | C15 | H151 | 179.6° | 179.7° |
| C15 | C14 | C18 | C19 | 89.7° | 59.7° |
| C15 | C14 | C18 | C24 | 34.3° | 60.0° |
| C15 | C14 | C13 | H131 | 179.8° | 180.0° |
| C14 | C15 | C16 | H161 | 179.6° | 179.4° |
| C15 | C14 | C18 | H181 | 150.9° | 179.8° |
| C14 | C18 | C19 | C24 | 119.3° | 120.0° |
| C14 | C18 | C19 | H181 | 118.6° | 120.1° |
| C14 | C18 | C19 | C20 | 167.5° | 175.5° |
| C14 | C18 | C24 | N23 | 127.5° | 149.0° |
| C14 | C18 | C24 | O25 | 52.5° | 30.9° |
| C14 | C18 | C24 | H181 | 116.4° | 120.2° |
| C18 | C14 | C13 | H131 | 0.6° | 0.4° |
| C18 | C14 | C15 | H151 | 0.4° | 0.2° |
| C14 | C18 | C19 | H192 | 72.3° | 55.9° |
| C14 | C18 | C19 | H191 | 47.2° | 64.7° |
| C18 | C19 | C20 | H192 | 120.2° | 119.7° |
| C18 | C19 | C20 | H191 | 120.3° | 119.7° |
| C18 | C19 | C20 | C21 | 67.3° | 55.6° |
| C19 | C18 | C24 | N23 | 6.4° | 29.0° |
| C19 | C18 | C24 | O25 | 173.5° | 150.9° |
| C19 | C18 | C24 | H181 | 122.6° | 119.9° |
| C18 | C19 | C20 | H202 | 53.0° | 175.5° |
| C18 | C19 | C20 | H201 | 172.5° | 64.4° |
| C18 | C19 | H192 | H191 | 119.3° | 120.5° |
| C19 | C20 | C21 | H202 | 120.2° | 119.8° |
| C19 | C20 | C21 | H201 | 120.2° | 119.9° |
| C19 | C20 | C21 | O22 | 138.5° | 150.9° |
| C19 | C20 | C21 | N23 | 41.6° | 29.1° |
| C20 | C19 | C18 | C24 | 48.1° | 55.6° |
| C19 | C20 | H202 | H201 | 119.3° | 120.1° |
| C20 | C19 | C18 | H181 | 74.0° | 64.3° |
| C20 | C19 | H192 | H191 | 119.2° | 120.5° |
| C20 | C21 | O22 | N23 | 180.0° | 179.9° |
| C20 | C21 | N23 | C24 | 0.1° | 0.5° |
| C21 | C20 | H202 | H201 | 119.3° | 120.2° |
| C21 | C20 | C19 | H192 | 172.5° | 64.1° |
| C21 | C20 | C19 | H191 | 53.0° | 175.3° |
| C20 | C21 | N23 | H231 | 179.9° | 179.4° |
| O22 | C21 | N23 | C24 | 179.9° | 179.5° |
| O22 | C21 | C20 | H202 | 101.3° | 31.1° |
| O22 | C21 | C20 | H201 | 18.2° | 89.1° |
| O22 | C21 | N23 | H231 | 0.1° | 0.5° |
| C21 | N23 | C24 | H231 | 180.0° | 180.0° |
| C21 | N23 | C24 | O25 | 162.1° | 179.4° |
| C21 | N23 | C24 | C18 | 18.0° | 0.5° |
| N23 | C21 | C20 | H202 | 78.7° | 149.0° |
| N23 | C21 | C20 | H201 | 161.8° | 90.8° |
| N23 | C24 | O25 | C18 | 179.9° | 179.9° |
| N23 | C24 | C18 | H181 | 116.2° | 90.9° |
| O25 | C24 | C18 | H181 | 63.9° | 89.2° |
| O25 | C24 | N23 | H231 | 17.9° | 0.6° |
| N04 | C02 | C26 | C27 | 22.8° | 179.7° |
| N04 | C02 | C26 | S30 | 158.5° | 0.1° |
| N04 | C02 | C01 | H011 | 62.5° | 180.0° |
| N04 | C02 | C01 | H012 | 57.5° | 59.9° |
| N04 | C02 | C01 | H013 | 177.5° | 60.1° |
| N04 | C02 | C03 | H033 | 63.4° | 60.0° |
| N04 | C02 | C03 | H032 | 176.6° | 60.0° |
| N04 | C02 | C03 | H031 | 56.6° | 179.9° |
| C02 | C26 | C27 | S30 | 178.8° | 179.7° |
| C02 | C26 | C27 | C28 | 179.2° | 179.9° |
| C02 | C26 | S30 | C29 | 179.3° | 179.9° |
| C26 | C02 | C01 | H011 | 62.6° | 59.9° |
| C26 | C02 | C01 | H012 | 177.3° | 180.0° |
| C26 | C02 | C01 | H013 | 57.4° | 60.0° |
| C26 | C02 | C03 | H033 | 62.1° | 60.0° |
| C26 | C02 | C03 | H032 | 57.9° | 180.0° |
| C26 | C02 | C03 | H031 | 177.9° | 60.1° |
| C02 | C26 | C27 | H271 | 0.8° | 0.0° |
| C26 | C02 | N04 | H041 | 120.6° | 0.0° |
| C26 | C27 | C28 | H271 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 0.2° | 0.1° |
| C27 | C26 | S30 | C29 | 0.4° | 0.2° |
| C26 | C27 | C28 | C34 | 179.6° | 180.0° |
| C27 | C28 | C29 | C34 | 179.8° | 180.0° |
| C27 | C28 | C29 | S30 | 0.1° | 0.1° |
| C27 | C28 | C29 | C31 | 180.0° | 180.0° |
| C27 | C28 | C34 | C33 | 179.9° | 179.9° |
| C28 | C27 | C26 | S30 | 0.4° | 0.2° |
| C27 | C28 | C34 | H341 | 0.0° | 0.0° |
| C28 | C29 | S30 | C31 | 179.9° | 179.9° |
| C28 | C29 | C31 | C32 | 0.0° | 0.0° |
| C29 | C28 | C34 | C33 | 0.2° | 0.1° |
| C28 | C29 | S30 | C26 | 0.3° | 0.2° |
| C29 | C28 | C27 | H271 | 179.8° | 179.9° |
| C28 | C29 | C31 | H311 | 180.0° | 179.9° |
| C29 | C28 | C34 | H341 | 179.8° | 179.9° |
| S30 | C29 | C31 | C32 | 179.9° | 179.9° |
| S30 | C29 | C28 | C34 | 180.0° | 179.8° |
| S30 | C29 | C31 | H311 | 0.1° | 0.1° |
| C29 | C31 | C32 | H311 | 180.0° | 180.0° |
| C29 | C31 | C32 | C33 | 0.1° | 0.0° |
| C29 | C31 | C32 | C35 | 179.9° | 180.0° |
| C31 | C29 | S30 | C26 | 179.8° | 179.9° |
| C31 | C29 | C28 | C34 | 0.2° | 0.1° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C31 | C32 | C33 | C35 | 179.9° | 179.9° |
| C31 | C32 | C35 | F36 | 26.4° | 90.0° |
| C31 | C32 | C35 | F37 | 93.1° | 150.0° |
| C31 | C32 | C35 | F38 | 145.5° | 30.0° |
| C31 | C32 | C33 | H331 | 179.9° | 180.0° |
| C34 | C33 | C32 | H331 | 180.0° | 180.0° |
| C34 | C33 | C32 | C35 | 179.9° | 179.9° |
| C33 | C34 | C28 | H341 | 180.0° | 180.0° |
| C33 | C32 | C35 | F36 | 153.6° | 90.1° |
| C33 | C32 | C35 | F37 | 86.8° | 29.9° |
| C33 | C32 | C35 | F38 | 34.5° | 149.9° |
| C32 | C33 | C34 | C28 | 0.0° | 0.1° |
| C33 | C32 | C31 | H311 | 179.9° | 179.9° |
| C32 | C33 | C34 | H341 | 180.0° | 179.9° |
| C32 | C35 | F36 | F37 | 119.2° | 120.0° |
| C32 | C35 | F36 | F38 | 119.8° | 120.0° |
| C32 | C35 | F37 | F38 | 121.5° | 120.0° |
| C35 | C32 | C31 | H311 | 0.0° | 0.0° |
| C35 | C32 | C33 | H331 | 0.1° | 0.1° |
| F36 | C35 | F37 | F38 | 120.4° | 120.0° |
| C17 | C08 | C09 | H091 | 179.9° | 179.5° |
| C08 | C17 | C16 | H161 | 0.0° | 0.1° |
| C17 | C08 | N07 | H071 | 37.8° | 24.8° |
| C17 | C12 | C13 | H131 | 180.0° | 179.9° |
| C17 | C12 | C11 | H111 | 180.0° | 180.0° |
| C12 | C17 | C16 | H161 | 179.9° | 179.4° |
| C24 | C18 | C19 | H192 | 168.4° | 64.1° |
| C24 | C18 | C19 | H191 | 72.1° | 175.3° |
| C18 | C24 | N23 | H231 | 162.0° | 179.5° |
| S30 | C26 | C27 | H271 | 179.6° | 179.7° |
| C34 | C28 | C27 | H271 | 0.4° | 0.1° |
| C28 | C34 | C33 | H331 | 180.0° | 179.9° |
| H101 | C10 | C09 | H091 | 0.1° | 0.1° |
| H101 | C10 | C11 | H111 | 0.1° | 0.3° |
| H151 | C15 | C16 | H161 | 0.4° | 0.4° |
| H202 | C20 | C19 | H192 | 67.2° | 55.8° |
| H202 | C20 | C19 | H191 | 173.3° | 64.8° |
| H201 | C20 | C19 | H192 | 52.3° | 175.9° |
| H201 | C20 | C19 | H191 | 67.2° | 55.4° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H033 | C03 | H032 | H031 | 120.0° | 120.0° |
| H181 | C18 | C19 | H192 | 46.3° | 176.0° |
| H181 | C18 | C19 | H191 | 165.8° | 55.4° |
| H331 | C33 | C34 | H341 | 0.0° | 0.0° |
