JUP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | O03 | sing | 1.43Å | 1.41Å | |
| C02 | C29 | sing | 1.51Å | 1.52Å | |
| O03 | C04 | sing | 1.36Å | 1.44Å | |
| C04 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| C04 | C25 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.43Å | Aromatic |
| C06 | C07 | sing | 1.48Å | 1.41Å | |
| C06 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C08 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C21 | sing | 1.40Å | 1.42Å | Aromatic |
| C08 | C09 | sing | 1.40Å | 1.41Å | Aromatic |
| C09 | C10 | sing | 1.48Å | 1.39Å | |
| C09 | C19 | doub | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.35Å | 1.39Å | Aromatic |
| C10 | S18 | sing | 1.76Å | 1.70Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.55Å | |
| C12 | C17 | doub | 1.34Å | 1.40Å | Aromatic |
| C13 | N14 | sing | 1.47Å | 1.49Å | |
| N14 | C15 | sing | 1.47Å | 1.44Å | |
| N14 | C16 | sing | 1.47Å | 1.47Å | |
| C17 | S18 | sing | 1.76Å | 1.71Å | Aromatic |
| C19 | N20 | sing | 1.32Å | 1.34Å | Aromatic |
| N20 | C21 | doub | 1.32Å | 1.36Å | Aromatic |
| C21 | N22 | sing | 1.39Å | 1.45Å | |
| C23 | C24 | doub | 1.36Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.47Å | 1.47Å | |
| C26 | N27 | sing | 1.35Å | 1.45Å | |
| C26 | O28 | doub | 1.22Å | 1.20Å | |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.44Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C35 | sing | 1.51Å | 1.53Å | |
| C35 | F36 | sing | 1.40Å | 1.35Å | |
| C35 | F37 | sing | 1.40Å | 1.36Å | |
| C35 | F38 | sing | 1.40Å | 1.32Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C08 | H08 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N27 | H271 | sing | 0.97Å | 1.00Å | |
| N27 | H272 | sing | 0.97Å | 1.00Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 111.4° | 109.5° |
| C01 | C02 | C29 | 112.8° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C01 | C02 | H02 | 104.5° | 109.5° |
| O03 | C02 | C29 | 116.7° | 109.5° |
| C02 | O03 | C04 | 120.6° | 117.0° |
| O03 | C02 | H02 | 105.6° | 109.5° |
| C02 | C29 | C30 | 119.6° | 120.0° |
| C02 | C29 | C34 | 120.0° | 120.0° |
| C29 | C02 | H02 | 104.5° | 109.5° |
| O03 | C04 | C05 | 120.6° | 120.2° |
| O03 | C04 | C25 | 119.6° | 120.2° |
| C05 | C04 | C25 | 119.8° | 119.7° |
| C04 | C05 | C06 | 119.3° | 119.8° |
| C04 | C05 | H05 | 120.4° | 120.0° |
| C04 | C25 | C24 | 120.5° | 119.9° |
| C04 | C25 | C26 | 119.9° | 120.1° |
| C05 | C06 | C07 | 119.6° | 119.9° |
| C05 | C06 | C23 | 120.1° | 120.2° |
| C06 | C05 | H05 | 120.4° | 120.1° |
| C07 | C06 | C23 | 120.3° | 119.9° |
| C06 | C07 | C08 | 118.8° | 120.5° |
| C06 | C07 | C21 | 120.5° | 120.5° |
| C06 | C23 | C24 | 120.2° | 120.3° |
| C06 | C23 | H23 | 119.9° | 119.8° |
| C08 | C07 | C21 | 120.7° | 119.0° |
| C07 | C08 | C09 | 117.9° | 118.3° |
| C07 | C08 | H08 | 121.0° | 120.9° |
| C07 | C21 | N20 | 119.9° | 120.7° |
| C07 | C21 | N22 | 120.9° | 119.6° |
| C08 | C09 | C10 | 121.1° | 120.4° |
| C08 | C09 | C19 | 118.8° | 119.2° |
| C09 | C08 | H08 | 121.0° | 120.9° |
| C10 | C09 | C19 | 120.1° | 120.4° |
| C09 | C10 | C11 | 130.0° | 125.3° |
| C09 | C10 | S18 | 126.9° | 125.3° |
| C09 | C19 | N20 | 121.8° | 120.9° |
| C09 | C19 | H19 | 119.1° | 119.5° |
| C11 | C10 | S18 | 103.1° | 109.5° |
| C10 | C11 | C12 | 116.8° | 114.7° |
| C10 | C11 | H11 | 121.6° | 122.6° |
| C10 | S18 | C17 | 100.8° | 91.0° |
| C11 | C12 | C13 | 123.5° | 122.5° |
| C11 | C12 | C17 | 117.3° | 115.1° |
| C12 | C11 | H11 | 121.6° | 122.7° |
| C13 | C12 | C17 | 119.1° | 122.5° |
| C12 | C13 | N14 | 115.2° | 109.4° |
| C12 | C13 | H131 | 108.0° | 109.5° |
| C12 | C13 | H132 | 108.0° | 109.5° |
| C12 | C17 | S18 | 101.9° | 109.8° |
| C12 | C17 | H17 | 129.1° | 125.1° |
| C13 | N14 | C15 | 108.2° | 111.0° |
| C13 | N14 | C16 | 108.0° | 111.0° |
| N14 | C13 | H131 | 108.0° | 109.5° |
| N14 | C13 | H132 | 108.0° | 109.5° |
| C15 | N14 | C16 | 108.8° | 111.0° |
| N14 | C15 | H151 | 109.5° | 109.5° |
| N14 | C15 | H152 | 109.5° | 109.5° |
| N14 | C15 | H153 | 109.5° | 109.4° |
| N14 | C16 | H161 | 109.5° | 109.5° |
| N14 | C16 | H162 | 109.5° | 109.5° |
| N14 | C16 | H163 | 109.5° | 109.4° |
| S18 | C17 | H17 | 129.0° | 125.1° |
| C19 | N20 | C21 | 120.9° | 122.0° |
| N20 | C19 | H19 | 119.1° | 119.6° |
| N20 | C21 | N22 | 119.3° | 119.7° |
| C21 | N22 | H221 | 109.5° | 120.0° |
| C21 | N22 | H222 | 109.5° | 120.0° |
| C23 | C24 | C25 | 120.1° | 120.1° |
| C24 | C23 | H23 | 119.9° | 119.9° |
| C23 | C24 | H24 | 120.0° | 119.9° |
| C24 | C25 | C26 | 119.5° | 120.0° |
| C25 | C24 | H24 | 120.0° | 119.9° |
| C25 | C26 | N27 | 119.5° | 120.0° |
| C25 | C26 | O28 | 119.2° | 119.9° |
| N27 | C26 | O28 | 121.3° | 120.1° |
| C26 | N27 | H271 | 120.0° | 120.0° |
| C26 | N27 | H272 | 120.0° | 120.0° |
| C30 | C29 | C34 | 120.4° | 120.0° |
| C29 | C30 | C31 | 121.0° | 120.0° |
| C29 | C30 | H30 | 119.5° | 119.9° |
| C29 | C34 | C33 | 119.2° | 120.0° |
| C29 | C34 | C35 | 122.3° | 120.0° |
| C30 | C31 | C32 | 118.9° | 120.0° |
| C31 | C30 | H30 | 119.5° | 120.1° |
| C30 | C31 | H31 | 120.5° | 120.0° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C32 | C31 | H31 | 120.5° | 120.0° |
| C31 | C32 | H32 | 120.0° | 119.9° |
| C32 | C33 | C34 | 120.5° | 120.0° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | H33 | 119.8° | 120.0° |
| C33 | C34 | C35 | 118.5° | 120.0° |
| C34 | C33 | H33 | 119.8° | 120.1° |
| C34 | C35 | F36 | 113.9° | 109.5° |
| C34 | C35 | F37 | 110.5° | 109.5° |
| C34 | C35 | F38 | 106.3° | 109.5° |
| F36 | C35 | F37 | 106.4° | 109.5° |
| F36 | C35 | F38 | 109.0° | 109.4° |
| F37 | C35 | F38 | 110.6° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H161 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.4° |
| H221 | N22 | H222 | 109.5° | 120.0° |
| H271 | N27 | H272 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | C29 | 131.5° | 120.0° |
| C01 | C02 | O03 | H02 | 112.9° | 120.0° |
| C01 | C02 | C29 | H02 | 112.9° | 120.0° |
| C01 | C02 | O03 | C04 | 168.7° | 84.8° |
| C01 | C02 | C29 | C30 | 89.6° | 95.0° |
| C01 | C02 | C29 | C34 | 88.6° | 84.8° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| O03 | C02 | C29 | H02 | 116.2° | 120.0° |
| C02 | O03 | C04 | C05 | 21.2° | 5.4° |
| C02 | O03 | C04 | C25 | 158.8° | 174.9° |
| O03 | C02 | C29 | C30 | 41.3° | 25.0° |
| O03 | C02 | C29 | C34 | 140.5° | 155.3° |
| O03 | C02 | C01 | H011 | 180.0° | 180.0° |
| O03 | C02 | C01 | H012 | 60.0° | 60.0° |
| O03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C29 | C02 | O03 | C04 | 59.8° | 155.3° |
| C02 | C29 | C30 | C34 | 178.2° | 179.8° |
| C02 | C29 | C30 | C31 | 179.6° | 180.0° |
| C02 | C29 | C34 | C33 | 180.0° | 179.8° |
| C02 | C29 | C34 | C35 | 2.5° | 0.1° |
| C29 | C02 | C01 | H011 | 46.5° | 60.0° |
| C29 | C02 | C01 | H012 | 73.5° | 60.0° |
| C29 | C02 | C01 | H013 | 166.5° | 180.0° |
| C02 | C29 | C30 | H30 | 0.4° | 0.0° |
| O03 | C04 | C05 | C25 | 179.9° | 179.7° |
| O03 | C04 | C05 | C06 | 178.8° | 180.0° |
| O03 | C04 | C25 | C24 | 179.6° | 179.7° |
| O03 | C04 | C25 | C26 | 0.9° | 0.1° |
| C04 | O03 | C02 | H02 | 55.8° | 35.2° |
| O03 | C04 | C05 | H05 | 1.2° | 0.0° |
| C04 | C05 | C06 | H05 | 180.0° | 180.0° |
| C04 | C05 | C06 | C07 | 179.4° | 179.9° |
| C04 | C05 | C06 | C23 | 0.8° | 0.0° |
| C05 | C04 | C25 | C24 | 0.3° | 0.6° |
| C05 | C04 | C25 | C26 | 179.2° | 179.8° |
| C25 | C04 | C05 | C06 | 1.1° | 0.3° |
| C04 | C25 | C24 | C23 | 0.8° | 0.6° |
| C04 | C25 | C24 | C26 | 179.5° | 179.7° |
| C04 | C25 | C26 | N27 | 5.1° | 180.0° |
| C04 | C25 | C26 | O28 | 175.0° | 0.0° |
| C25 | C04 | C05 | H05 | 178.9° | 179.7° |
| C04 | C25 | C24 | H24 | 179.2° | 179.7° |
| C05 | C06 | C07 | C23 | 179.8° | 179.9° |
| C05 | C06 | C07 | C08 | 51.6° | 130.0° |
| C05 | C06 | C07 | C21 | 127.4° | 50.3° |
| C05 | C06 | C23 | C24 | 0.4° | 0.0° |
| C05 | C06 | C23 | H23 | 179.6° | 179.9° |
| C06 | C07 | C08 | C21 | 179.0° | 179.7° |
| C06 | C07 | C08 | C09 | 179.2° | 180.0° |
| C06 | C07 | C21 | N20 | 179.4° | 179.7° |
| C06 | C07 | C21 | N22 | 1.3° | 0.0° |
| C07 | C06 | C23 | C24 | 179.5° | 180.0° |
| C07 | C06 | C05 | H05 | 0.6° | 0.1° |
| C07 | C06 | C23 | H23 | 0.5° | 0.1° |
| C06 | C07 | C08 | H08 | 0.8° | 0.1° |
| C23 | C06 | C07 | C08 | 128.6° | 49.9° |
| C23 | C06 | C07 | C21 | 52.5° | 129.8° |
| C06 | C23 | C24 | H23 | 180.0° | 179.9° |
| C06 | C23 | C24 | C25 | 1.1° | 0.3° |
| C23 | C06 | C05 | H05 | 179.2° | 180.0° |
| C06 | C23 | C24 | H24 | 178.9° | 180.0° |
| C07 | C08 | C09 | H08 | 180.0° | 179.9° |
| C07 | C08 | C09 | C10 | 179.1° | 180.0° |
| C07 | C08 | C09 | C19 | 0.1° | 0.0° |
| C08 | C07 | C21 | N20 | 0.4° | 0.6° |
| C08 | C07 | C21 | N22 | 179.8° | 179.7° |
| C21 | C07 | C08 | C09 | 0.2° | 0.3° |
| C07 | C21 | N20 | C19 | 0.2° | 0.6° |
| C07 | C21 | N20 | N22 | 179.4° | 179.7° |
| C21 | C07 | C08 | H08 | 179.8° | 179.8° |
| C07 | C21 | N22 | H221 | 179.4° | 0.1° |
| C07 | C21 | N22 | H222 | 60.6° | 180.0° |
| C08 | C09 | C10 | C19 | 179.0° | 179.9° |
| C08 | C09 | C10 | C11 | 168.5° | 180.0° |
| C08 | C09 | C10 | S18 | 9.9° | 0.4° |
| C08 | C09 | C19 | N20 | 0.3° | 0.1° |
| C08 | C09 | C19 | H19 | 179.6° | 180.0° |
| C09 | C10 | C11 | S18 | 178.7° | 179.6° |
| C09 | C10 | C11 | C12 | 179.9° | 179.9° |
| C09 | C10 | S18 | C17 | 179.3° | 180.0° |
| C10 | C09 | C19 | N20 | 179.3° | 180.0° |
| C10 | C09 | C08 | H08 | 0.9° | 0.1° |
| C10 | C09 | C19 | H19 | 0.6° | 0.1° |
| C09 | C10 | C11 | H11 | 0.1° | 0.1° |
| C19 | C09 | C10 | C11 | 10.4° | 0.1° |
| C19 | C09 | C10 | S18 | 171.2° | 179.7° |
| C09 | C19 | N20 | H19 | 180.0° | 179.9° |
| C09 | C19 | N20 | C21 | 0.2° | 0.4° |
| C19 | C09 | C08 | H08 | 179.9° | 180.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.3° | 179.9° |
| C10 | C11 | C12 | C17 | 0.1° | 0.0° |
| C11 | C10 | S18 | C17 | 1.9° | 0.4° |
| S18 | C10 | C11 | C12 | 1.4° | 0.3° |
| C10 | S18 | C17 | C12 | 1.9° | 0.4° |
| S18 | C10 | C11 | H11 | 178.5° | 179.8° |
| C10 | S18 | C17 | H17 | 178.1° | 179.9° |
| C11 | C12 | C13 | C17 | 178.2° | 180.0° |
| C11 | C12 | C13 | N14 | 83.6° | 90.0° |
| C11 | C12 | C17 | S18 | 1.3° | 0.3° |
| C11 | C12 | C13 | H131 | 37.3° | 150.0° |
| C11 | C12 | C13 | H132 | 155.6° | 29.9° |
| C11 | C12 | C17 | H17 | 178.7° | 180.0° |
| C12 | C13 | N14 | H131 | 120.8° | 120.0° |
| C12 | C13 | N14 | H132 | 120.8° | 120.0° |
| C12 | C13 | N14 | C15 | 121.4° | 170.0° |
| C12 | C13 | N14 | C16 | 121.1° | 66.0° |
| C13 | C12 | C17 | S18 | 177.0° | 179.8° |
| C13 | C12 | C11 | H11 | 1.7° | 0.0° |
| C12 | C13 | H131 | H132 | 117.4° | 120.0° |
| C13 | C12 | C17 | H17 | 3.1° | 0.0° |
| C17 | C12 | C13 | N14 | 98.3° | 90.0° |
| C12 | C17 | S18 | H17 | 180.0° | 179.7° |
| C17 | C12 | C11 | H11 | 179.9° | 180.0° |
| C17 | C12 | C13 | H131 | 140.9° | 30.0° |
| C17 | C12 | C13 | H132 | 22.6° | 150.0° |
| C13 | N14 | C15 | C16 | 117.0° | 123.9° |
| N14 | C13 | H131 | H132 | 117.4° | 120.0° |
| C13 | N14 | C15 | H151 | 180.0° | 59.9° |
| C13 | N14 | C15 | H152 | 60.0° | 180.0° |
| C13 | N14 | C15 | H153 | 60.0° | 60.1° |
| C13 | N14 | C16 | H161 | 180.0° | 60.0° |
| C13 | N14 | C16 | H162 | 60.0° | 179.9° |
| C13 | N14 | C16 | H163 | 60.0° | 60.0° |
| C15 | N14 | C13 | H131 | 0.5° | 50.0° |
| C15 | N14 | C13 | H132 | 117.8° | 70.0° |
| N14 | C15 | H151 | H152 | 120.0° | 120.1° |
| N14 | C15 | H151 | H153 | 120.0° | 119.9° |
| N14 | C15 | H152 | H153 | 120.0° | 119.9° |
| C15 | N14 | C16 | H161 | 62.8° | 176.1° |
| C15 | N14 | C16 | H162 | 57.1° | 56.0° |
| C15 | N14 | C16 | H163 | 177.1° | 63.9° |
| C16 | N14 | C13 | H131 | 118.1° | 174.0° |
| C16 | N14 | C13 | H132 | 0.3° | 53.9° |
| C16 | N14 | C15 | H151 | 63.0° | 64.0° |
| C16 | N14 | C15 | H152 | 177.0° | 56.1° |
| C16 | N14 | C15 | H153 | 57.0° | 176.0° |
| N14 | C16 | H161 | H162 | 120.0° | 120.0° |
| N14 | C16 | H161 | H163 | 120.0° | 120.0° |
| N14 | C16 | H162 | H163 | 120.0° | 119.9° |
| C19 | N20 | C21 | N22 | 179.6° | 179.6° |
| C21 | N20 | C19 | H19 | 179.8° | 179.7° |
| N20 | C21 | N22 | H221 | 0.0° | 179.7° |
| N20 | C21 | N22 | H222 | 120.0° | 0.3° |
| C21 | N22 | H221 | H222 | 120.0° | 179.9° |
| C23 | C24 | C25 | H24 | 180.0° | 179.7° |
| C23 | C24 | C25 | C26 | 179.7° | 179.7° |
| C24 | C25 | C26 | N27 | 175.4° | 0.3° |
| C24 | C25 | C26 | O28 | 4.6° | 179.7° |
| C25 | C24 | C23 | H23 | 178.9° | 179.8° |
| C25 | C26 | N27 | O28 | 179.9° | 180.0° |
| C26 | C25 | C24 | H24 | 0.3° | 0.0° |
| C25 | C26 | N27 | H271 | 180.0° | 0.0° |
| C25 | C26 | N27 | H272 | 0.0° | 180.0° |
| C26 | N27 | H271 | H272 | 180.0° | 180.0° |
| O28 | C26 | N27 | H271 | 0.0° | 180.0° |
| O28 | C26 | N27 | H272 | 180.0° | 0.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.9° | 0.0° |
| C30 | C29 | C34 | C33 | 1.8° | 0.5° |
| C30 | C29 | C34 | C35 | 179.3° | 179.7° |
| C30 | C29 | C02 | H02 | 157.5° | 145.0° |
| C29 | C30 | C31 | H31 | 179.1° | 179.9° |
| C34 | C29 | C30 | C31 | 2.2° | 0.3° |
| C29 | C34 | C33 | C32 | 0.3° | 0.4° |
| C29 | C34 | C33 | C35 | 177.5° | 179.8° |
| C29 | C34 | C35 | F36 | 55.2° | 180.0° |
| C29 | C34 | C35 | F37 | 64.6° | 60.0° |
| C29 | C34 | C35 | F38 | 175.3° | 60.1° |
| C34 | C29 | C02 | H02 | 24.3° | 35.2° |
| C34 | C29 | C30 | H30 | 177.8° | 179.8° |
| C29 | C34 | C33 | H33 | 179.7° | 179.8° |
| C30 | C31 | C32 | H31 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.6° | 0.0° |
| C30 | C31 | C32 | H32 | 179.4° | 180.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.9° | 0.2° |
| C32 | C31 | C30 | H30 | 179.0° | 179.9° |
| C31 | C32 | C33 | H33 | 179.1° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.8° |
| C32 | C33 | C34 | C35 | 177.9° | 179.7° |
| C33 | C32 | C31 | H31 | 179.4° | 180.0° |
| C33 | C34 | C35 | F36 | 127.3° | 0.2° |
| C33 | C34 | C35 | F37 | 112.8° | 120.2° |
| C33 | C34 | C35 | F38 | 7.2° | 119.8° |
| C34 | C33 | C32 | H32 | 179.1° | 179.8° |
| C34 | C35 | F36 | F37 | 122.1° | 120.0° |
| C34 | C35 | F36 | F38 | 118.6° | 120.0° |
| C34 | C35 | F37 | F38 | 117.5° | 120.0° |
| C35 | C34 | C33 | H33 | 2.2° | 0.1° |
| F36 | C35 | F37 | F38 | 118.3° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H02 | 66.4° | 60.0° |
| H012 | C01 | C02 | H02 | 173.6° | 180.0° |
| H013 | C01 | C02 | H02 | 53.6° | 60.0° |
| H23 | C23 | C24 | H24 | 1.1° | 0.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| H30 | C30 | C31 | H31 | 1.0° | 0.0° |
| H31 | C31 | C32 | H32 | 0.6° | 0.1° |
| H32 | C32 | C33 | H33 | 0.9° | 0.0° |
