TPV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C2 | sing | 1.34Å | 1.32Å | |
| O1 | C6 | sing | 1.43Å | 1.49Å | |
| C2 | C3 | sing | 1.41Å | 1.49Å | |
| C2 | O7 | doub | 1.22Å | 1.21Å | |
| C3 | C4 | doub | 1.35Å | 1.41Å | |
| C3 | C20 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | O8 | sing | 1.35Å | 1.34Å | |
| C5 | C6 | sing | 1.53Å | 1.27Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C6 | C9 | sing | 1.53Å | 1.56Å | |
| C6 | C12 | sing | 1.53Å | 1.50Å | |
| O8 | HO81 | sing | 0.97Å | 0.95Å | |
| C9 | C10 | sing | 1.53Å | 1.31Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C12 | C13 | sing | 1.53Å | 1.46Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.51Å | 1.44Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H151 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.57Å | |
| C20 | C23 | sing | 1.51Å | 1.54Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.12Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.12Å | |
| C22 | H223 | sing | 1.09Å | 1.12Å | |
| C23 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | H241 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | H251 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | H261 | sing | 1.08Å | 1.10Å | |
| C27 | N28 | sing | 1.40Å | 1.80Å | |
| C27 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| N28 | S30 | sing | 1.66Å | 1.61Å | |
| N28 | H281 | sing | 0.97Å | 1.02Å | |
| C29 | H291 | sing | 1.08Å | 1.10Å | |
| S30 | O31 | doub | 1.42Å | 1.51Å | |
| S30 | O32 | doub | 1.42Å | 1.43Å | |
| S30 | C33 | sing | 1.76Å | 1.74Å | |
| C33 | N34 | doub | 1.32Å | 1.36Å | Aromatic |
| C33 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| N34 | C35 | sing | 1.32Å | 1.34Å | Aromatic |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H351 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | sing | 1.39Å | 1.39Å | Aromatic |
| C36 | C39 | sing | 1.51Å | 1.53Å | |
| C37 | C38 | doub | 1.39Å | 1.42Å | Aromatic |
| C37 | H371 | sing | 1.08Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.10Å | |
| C39 | F40 | sing | 1.40Å | 1.42Å | |
| C39 | F41 | sing | 1.40Å | 1.39Å | |
| C39 | F42 | sing | 1.40Å | 1.42Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | O1 | C6 | 119.6° | 108.9° |
| O1 | C2 | C3 | 119.3° | 122.7° |
| O1 | C2 | O7 | 118.1° | 118.7° |
| O1 | C6 | C5 | 121.0° | 109.4° |
| O1 | C6 | C9 | 109.4° | 109.5° |
| O1 | C6 | C12 | 80.1° | 109.5° |
| C3 | C2 | O7 | 121.6° | 118.6° |
| C2 | C3 | C4 | 116.0° | 120.2° |
| C2 | C3 | C20 | 117.5° | 119.9° |
| C4 | C3 | C20 | 124.3° | 119.9° |
| C3 | C4 | C5 | 116.4° | 118.0° |
| C3 | C4 | O8 | 121.9° | 121.0° |
| C3 | C20 | C21 | 134.5° | 109.5° |
| C3 | C20 | C23 | 106.4° | 109.5° |
| C3 | C20 | H201 | 91.7° | 109.5° |
| C5 | C4 | O8 | 117.3° | 121.0° |
| C4 | C5 | C6 | 116.2° | 107.9° |
| C4 | C5 | H51 | 109.8° | 109.8° |
| C4 | C5 | H52 | 109.8° | 109.8° |
| C4 | O8 | HO81 | 121.9° | 120.0° |
| C6 | C5 | H51 | 109.7° | 109.7° |
| C6 | C5 | H52 | 109.8° | 109.8° |
| C5 | C6 | C9 | 106.7° | 109.5° |
| C5 | C6 | C12 | 120.4° | 109.6° |
| H51 | C5 | H52 | 100.4° | 109.8° |
| C9 | C6 | C12 | 117.5° | 109.5° |
| C6 | C9 | C10 | 114.6° | 109.5° |
| C6 | C9 | H91 | 110.4° | 109.5° |
| C6 | C9 | H92 | 110.3° | 109.5° |
| C6 | C12 | C13 | 109.8° | 109.5° |
| C6 | C12 | H121 | 112.1° | 109.5° |
| C6 | C12 | H122 | 112.1° | 109.4° |
| C10 | C9 | H91 | 110.3° | 109.4° |
| C10 | C9 | H92 | 110.3° | 109.5° |
| C9 | C10 | C11 | 123.5° | 109.5° |
| C9 | C10 | H101 | 107.3° | 109.5° |
| C9 | C10 | H102 | 107.3° | 109.5° |
| H91 | C9 | H92 | 100.0° | 109.5° |
| C11 | C10 | H101 | 107.2° | 109.5° |
| C11 | C10 | H102 | 107.2° | 109.5° |
| C10 | C11 | H111 | 123.6° | 109.5° |
| C10 | C11 | H112 | 107.3° | 109.5° |
| C10 | C11 | H113 | 107.2° | 109.5° |
| H101 | C10 | H102 | 102.5° | 109.5° |
| H111 | C11 | H112 | 107.2° | 109.4° |
| H111 | C11 | H113 | 107.2° | 109.5° |
| H112 | C11 | H113 | 102.5° | 109.4° |
| C13 | C12 | H121 | 112.1° | 109.5° |
| C13 | C12 | H122 | 112.1° | 109.5° |
| C12 | C13 | C14 | 127.5° | 109.4° |
| C12 | C13 | H131 | 105.9° | 109.4° |
| C12 | C13 | H132 | 105.9° | 109.5° |
| H121 | C12 | H122 | 98.3° | 109.5° |
| C14 | C13 | H131 | 105.9° | 109.5° |
| C14 | C13 | H132 | 105.9° | 109.5° |
| C13 | C14 | C15 | 125.2° | 120.0° |
| C13 | C14 | C19 | 115.5° | 120.0° |
| H131 | C13 | H132 | 103.5° | 109.5° |
| C15 | C14 | C19 | 118.9° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C14 | C15 | H151 | 119.3° | 120.0° |
| C14 | C19 | C18 | 119.2° | 120.0° |
| C14 | C19 | H191 | 121.1° | 120.0° |
| C16 | C15 | H151 | 120.6° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C15 | C16 | H161 | 119.8° | 120.0° |
| C17 | C16 | H161 | 120.2° | 120.0° |
| C16 | C17 | C18 | 119.8° | 120.0° |
| C16 | C17 | H171 | 119.9° | 120.0° |
| C18 | C17 | H171 | 120.3° | 120.0° |
| C17 | C18 | C19 | 117.8° | 120.0° |
| C17 | C18 | H181 | 121.5° | 120.0° |
| C19 | C18 | H181 | 120.7° | 120.0° |
| C18 | C19 | H191 | 119.6° | 120.0° |
| C21 | C20 | C23 | 112.1° | 109.5° |
| C21 | C20 | H201 | 81.6° | 109.5° |
| C20 | C21 | C22 | 120.0° | 109.5° |
| C20 | C21 | H211 | 108.5° | 109.5° |
| C20 | C21 | H212 | 108.5° | 109.5° |
| C23 | C20 | H201 | 130.2° | 109.4° |
| C20 | C23 | C24 | 122.1° | 119.9° |
| C20 | C23 | C29 | 118.0° | 119.9° |
| C22 | C21 | H211 | 108.4° | 109.5° |
| C22 | C21 | H212 | 108.4° | 109.5° |
| C21 | C22 | H221 | 120.0° | 109.5° |
| C21 | C22 | H222 | 108.5° | 109.5° |
| C21 | C22 | H223 | 108.4° | 109.5° |
| H211 | C21 | H212 | 101.6° | 109.4° |
| H221 | C22 | H222 | 108.4° | 109.4° |
| H221 | C22 | H223 | 108.4° | 109.5° |
| H222 | C22 | H223 | 101.5° | 109.4° |
| C24 | C23 | C29 | 119.5° | 120.1° |
| C23 | C24 | C25 | 120.3° | 120.1° |
| C23 | C24 | H241 | 118.1° | 120.0° |
| C23 | C29 | C27 | 120.1° | 119.9° |
| C23 | C29 | H291 | 120.2° | 120.0° |
| C25 | C24 | H241 | 121.6° | 119.9° |
| C24 | C25 | C26 | 118.6° | 120.0° |
| C24 | C25 | H251 | 121.1° | 120.0° |
| C26 | C25 | H251 | 120.3° | 119.9° |
| C25 | C26 | C27 | 119.6° | 119.9° |
| C25 | C26 | H261 | 120.9° | 120.0° |
| C27 | C26 | H261 | 119.5° | 120.1° |
| C26 | C27 | N28 | 114.6° | 120.0° |
| C26 | C27 | C29 | 119.8° | 119.9° |
| N28 | C27 | C29 | 125.3° | 120.1° |
| C27 | N28 | S30 | 107.8° | 120.0° |
| C27 | N28 | H281 | 112.8° | 120.0° |
| C27 | C29 | H291 | 119.7° | 120.1° |
| S30 | N28 | H281 | 112.9° | 120.0° |
| N28 | S30 | O31 | 106.3° | 105.8° |
| N28 | S30 | O32 | 107.7° | 105.8° |
| N28 | S30 | C33 | 108.0° | 107.4° |
| O31 | S30 | O32 | 116.7° | 125.4° |
| O31 | S30 | C33 | 106.8° | 105.7° |
| O32 | S30 | C33 | 110.9° | 105.8° |
| S30 | C33 | N34 | 117.1° | 119.6° |
| S30 | C33 | C38 | 120.0° | 119.6° |
| N34 | C33 | C38 | 122.8° | 120.8° |
| C33 | N34 | C35 | 117.5° | 121.7° |
| C33 | C38 | C37 | 118.7° | 119.1° |
| C33 | C38 | H381 | 119.8° | 120.4° |
| N34 | C35 | C36 | 123.3° | 120.8° |
| N34 | C35 | H351 | 116.0° | 119.6° |
| C36 | C35 | H351 | 120.7° | 119.6° |
| C35 | C36 | C37 | 118.9° | 119.1° |
| C35 | C36 | C39 | 118.8° | 120.4° |
| C37 | C36 | C39 | 122.2° | 120.5° |
| C36 | C37 | C38 | 118.3° | 118.5° |
| C36 | C37 | H371 | 119.8° | 120.7° |
| C36 | C39 | F40 | 104.5° | 109.5° |
| C36 | C39 | F41 | 106.7° | 109.5° |
| C36 | C39 | F42 | 104.6° | 109.4° |
| C38 | C37 | H371 | 122.0° | 120.8° |
| C37 | C38 | H381 | 121.5° | 120.4° |
| F40 | C39 | F41 | 113.6° | 109.5° |
| F40 | C39 | F42 | 111.9° | 109.5° |
| F41 | C39 | F42 | 114.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C2 | C3 | O7 | 168.3° | 180.0° |
| O1 | C2 | C3 | C4 | 5.4° | 4.7° |
| O1 | C2 | C3 | C20 | 158.6° | 175.3° |
| C2 | O1 | C6 | C5 | 8.6° | 63.6° |
| C2 | O1 | C6 | C9 | 133.2° | 176.5° |
| C2 | O1 | C6 | C12 | 111.0° | 56.4° |
| C6 | O1 | C2 | C3 | 22.8° | 37.4° |
| C6 | O1 | C2 | O7 | 168.5° | 142.6° |
| O1 | C6 | C5 | C4 | 21.1° | 57.8° |
| O1 | C6 | C5 | C9 | 125.8° | 119.9° |
| O1 | C6 | C5 | C12 | 96.9° | 120.0° |
| O1 | C6 | C5 | H51 | 146.3° | 177.4° |
| O1 | C6 | C5 | H52 | 104.2° | 61.8° |
| O1 | C6 | C9 | C12 | 88.7° | 120.0° |
| O1 | C6 | C9 | C10 | 36.3° | 60.0° |
| O1 | C6 | C9 | H91 | 161.6° | 60.0° |
| O1 | C6 | C9 | H92 | 88.9° | 180.0° |
| O1 | C6 | C12 | C13 | 177.5° | 59.9° |
| O1 | C6 | C12 | H121 | 57.2° | 179.9° |
| O1 | C6 | C12 | H122 | 52.2° | 60.1° |
| C2 | C3 | C4 | C20 | 162.8° | 180.0° |
| C2 | C3 | C4 | C5 | 23.5° | 0.4° |
| C2 | C3 | C4 | O8 | 179.5° | 179.6° |
| C2 | C3 | C20 | C21 | 119.1° | 54.9° |
| C2 | C3 | C20 | C23 | 93.8° | 65.1° |
| C2 | C3 | C20 | H201 | 39.1° | 174.9° |
| O7 | C2 | C3 | C4 | 173.7° | 175.3° |
| O7 | C2 | C3 | C20 | 9.7° | 4.7° |
| C3 | C4 | C5 | O8 | 157.1° | 180.0° |
| C3 | C4 | C5 | C6 | 37.4° | 25.5° |
| C3 | C4 | C5 | H51 | 162.6° | 145.0° |
| C3 | C4 | C5 | H52 | 87.8° | 94.1° |
| C3 | C4 | O8 | HO81 | 180.0° | 5.8° |
| C4 | C3 | C20 | C21 | 43.5° | 125.2° |
| C4 | C3 | C20 | C23 | 103.6° | 114.9° |
| C4 | C3 | C20 | H201 | 123.4° | 5.1° |
| C20 | C3 | C4 | C5 | 173.7° | 179.6° |
| C20 | C3 | C4 | O8 | 17.7° | 0.4° |
| C3 | C20 | C21 | C23 | 145.7° | 120.0° |
| C3 | C20 | C21 | H201 | 84.2° | 120.1° |
| C3 | C20 | C23 | H201 | 106.9° | 120.0° |
| C3 | C20 | C21 | C22 | 48.6° | 70.2° |
| C3 | C20 | C21 | H211 | 173.8° | 169.7° |
| C3 | C20 | C21 | H212 | 76.6° | 49.8° |
| C3 | C20 | C23 | C24 | 21.7° | 79.3° |
| C3 | C20 | C23 | C29 | 165.4° | 100.9° |
| C4 | C5 | C6 | H51 | 125.2° | 119.6° |
| C4 | C5 | C6 | H52 | 125.3° | 119.6° |
| C4 | C5 | H51 | H52 | 115.6° | 120.8° |
| C4 | C5 | C6 | C9 | 104.7° | 177.7° |
| C4 | C5 | C6 | C12 | 117.9° | 62.2° |
| C5 | C4 | O8 | HO81 | 24.3° | 174.2° |
| O8 | C4 | C5 | C6 | 165.5° | 154.5° |
| O8 | C4 | C5 | H51 | 40.3° | 35.0° |
| O8 | C4 | C5 | H52 | 69.3° | 85.9° |
| C6 | C5 | H51 | H52 | 115.6° | 120.8° |
| C5 | C6 | C9 | C12 | 138.8° | 120.1° |
| C5 | C6 | C9 | C10 | 96.1° | 59.9° |
| C5 | C6 | C9 | H91 | 29.1° | 179.9° |
| C5 | C6 | C9 | H92 | 138.6° | 60.1° |
| C5 | C6 | C12 | C13 | 62.3° | 179.8° |
| C5 | C6 | C12 | H121 | 63.0° | 60.2° |
| C5 | C6 | C12 | H122 | 172.4° | 59.8° |
| H51 | C5 | C6 | C9 | 20.5° | 62.7° |
| H51 | C5 | C6 | C12 | 116.8° | 57.4° |
| H52 | C5 | C6 | C9 | 130.0° | 58.1° |
| H52 | C5 | C6 | C12 | 7.3° | 178.2° |
| C6 | C9 | C10 | H91 | 125.3° | 120.0° |
| C6 | C9 | C10 | H92 | 125.2° | 120.0° |
| C6 | C9 | H91 | H92 | 116.2° | 120.0° |
| C6 | C9 | C10 | C11 | 156.6° | NaN° |
| C6 | C9 | C10 | H101 | 31.4° | 60.0° |
| C6 | C9 | C10 | H102 | 78.1° | 60.0° |
| C9 | C6 | C12 | C13 | 70.6° | 60.1° |
| C9 | C6 | C12 | H121 | 164.1° | 59.9° |
| C9 | C6 | C12 | H122 | 54.7° | 179.8° |
| C12 | C6 | C9 | C10 | 125.1° | 180.0° |
| C12 | C6 | C9 | H91 | 109.7° | 60.0° |
| C12 | C6 | C9 | H92 | 0.1° | 60.0° |
| C6 | C12 | C13 | H121 | 125.3° | 120.0° |
| C6 | C12 | C13 | H122 | 125.2° | 120.0° |
| C6 | C12 | H121 | H122 | 118.0° | 119.9° |
| C6 | C12 | C13 | C14 | 144.8° | 176.0° |
| C6 | C12 | C13 | H131 | 19.6° | 56.1° |
| C6 | C12 | C13 | H132 | 89.9° | 64.0° |
| C10 | C9 | H91 | H92 | 116.1° | 120.0° |
| C9 | C10 | C11 | H101 | 125.3° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.0° |
| C9 | C10 | H101 | H102 | 112.8° | 120.0° |
| C9 | C10 | C11 | H111 | 180.0° | 180.0° |
| C9 | C10 | C11 | H112 | 54.8° | 60.0° |
| C9 | C10 | C11 | H113 | 54.7° | 60.0° |
| H91 | C9 | C10 | C11 | 78.1° | 60.0° |
| H91 | C9 | C10 | H101 | 156.6° | 180.0° |
| H91 | C9 | C10 | H102 | 47.2° | 60.0° |
| H92 | C9 | C10 | C11 | 31.4° | 60.0° |
| H92 | C9 | C10 | H101 | 93.9° | 60.0° |
| H92 | C9 | C10 | H102 | 156.7° | 180.0° |
| C11 | C10 | H101 | H102 | 112.7° | 120.0° |
| C10 | C11 | H111 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H113 | 125.3° | 120.1° |
| C10 | C11 | H112 | H113 | 112.8° | 120.0° |
| H101 | C10 | C11 | H111 | 54.7° | 60.0° |
| H101 | C10 | C11 | H112 | 180.0° | 60.0° |
| H101 | C10 | C11 | H113 | 70.5° | 180.0° |
| H102 | C10 | C11 | H111 | 54.7° | 60.0° |
| H102 | C10 | C11 | H112 | 70.6° | 180.0° |
| H102 | C10 | C11 | H113 | 179.9° | 60.1° |
| H111 | C11 | H112 | H113 | 112.7° | 120.0° |
| C13 | C12 | H121 | H122 | 118.0° | 120.1° |
| C12 | C13 | C14 | H131 | 125.2° | 119.9° |
| C12 | C13 | C14 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 111.1° | 120.0° |
| C12 | C13 | C14 | C15 | 14.7° | 95.8° |
| C12 | C13 | C14 | C19 | 172.9° | 84.6° |
| H121 | C12 | C13 | C14 | 89.9° | 64.0° |
| H121 | C12 | C13 | H131 | 144.9° | 176.0° |
| H121 | C12 | C13 | H132 | 35.4° | 56.0° |
| H122 | C12 | C13 | C14 | 19.6° | 56.0° |
| H122 | C12 | C13 | H131 | 105.7° | 63.9° |
| H122 | C12 | C13 | H132 | 144.8° | 176.0° |
| C14 | C13 | H131 | H132 | 111.2° | 120.0° |
| C13 | C14 | C15 | C19 | 172.2° | 179.7° |
| C13 | C14 | C15 | C16 | 178.5° | 180.0° |
| C13 | C14 | C15 | H151 | 1.5° | 0.0° |
| C13 | C14 | C19 | C18 | 165.3° | 179.8° |
| C13 | C14 | C19 | H191 | 14.6° | 0.3° |
| H131 | C13 | C14 | C15 | 139.9° | 24.2° |
| H131 | C13 | C14 | C19 | 47.6° | 155.5° |
| H132 | C13 | C14 | C15 | 110.6° | 144.2° |
| H132 | C13 | C14 | C19 | 61.9° | 35.5° |
| C14 | C15 | C16 | H151 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C14 | C15 | C16 | H161 | 179.7° | 179.9° |
| C15 | C14 | C19 | C18 | 21.7° | 0.5° |
| C15 | C14 | C19 | H191 | 158.3° | 180.0° |
| C19 | C14 | C15 | C16 | 9.3° | 0.3° |
| C19 | C14 | C15 | H151 | 170.7° | 179.7° |
| C14 | C19 | C18 | C17 | 24.4° | 0.5° |
| C14 | C19 | C18 | H191 | 180.0° | 179.5° |
| C14 | C19 | C18 | H181 | 155.6° | 179.7° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 3.2° | 0.0° |
| C15 | C16 | C17 | H171 | 176.9° | 180.0° |
| H151 | C15 | C16 | C17 | 179.8° | 179.9° |
| H151 | C15 | C16 | H161 | 0.2° | 0.1° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 15.2° | 0.2° |
| C16 | C17 | C18 | H181 | 164.8° | 179.9° |
| H161 | C16 | C17 | C18 | 176.8° | 179.9° |
| H161 | C16 | C17 | H171 | 3.2° | 0.0° |
| C17 | C18 | C19 | H181 | 180.0° | 179.8° |
| C17 | C18 | C19 | H191 | 155.6° | 180.0° |
| H171 | C17 | C18 | C19 | 164.8° | 179.8° |
| H171 | C17 | C18 | H181 | 15.2° | 0.0° |
| H181 | C18 | C19 | H191 | 24.4° | 0.2° |
| C21 | C20 | C23 | H201 | 97.9° | 120.0° |
| C20 | C21 | C22 | H211 | 125.3° | 120.1° |
| C20 | C21 | C22 | H212 | 125.3° | 120.0° |
| C20 | C21 | H211 | H212 | 114.2° | 120.0° |
| C20 | C21 | C22 | H221 | 180.0° | 178.3° |
| C20 | C21 | C22 | H222 | 54.7° | 58.3° |
| C20 | C21 | C22 | H223 | 54.8° | 61.7° |
| C21 | C20 | C23 | C24 | 133.6° | 40.7° |
| C21 | C20 | C23 | C29 | 39.4° | 139.1° |
| C23 | C20 | C21 | C22 | 165.7° | 169.8° |
| C23 | C20 | C21 | H211 | 40.4° | 49.7° |
| C23 | C20 | C21 | H212 | 69.1° | 70.2° |
| C20 | C23 | C24 | C29 | 172.8° | 179.8° |
| C20 | C23 | C24 | C25 | 173.5° | 180.0° |
| C20 | C23 | C24 | H241 | 6.5° | 0.1° |
| C20 | C23 | C29 | C27 | 176.6° | 179.7° |
| C20 | C23 | C29 | H291 | 3.3° | 0.2° |
| H201 | C20 | C21 | C22 | 35.6° | 49.9° |
| H201 | C20 | C21 | H211 | 89.6° | 70.2° |
| H201 | C20 | C21 | H212 | 160.8° | 169.9° |
| H201 | C20 | C23 | C24 | 128.6° | 160.6° |
| H201 | C20 | C23 | C29 | 58.5° | 19.1° |
| C22 | C21 | H211 | H212 | 114.1° | 120.0° |
| C21 | C22 | H221 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H223 | 125.2° | 120.0° |
| C21 | C22 | H222 | H223 | 114.1° | 120.0° |
| H211 | C21 | C22 | H221 | 54.7° | 61.6° |
| H211 | C21 | C22 | H222 | 180.0° | 178.4° |
| H211 | C21 | C22 | H223 | 70.5° | 58.4° |
| H212 | C21 | C22 | H221 | 54.8° | 58.3° |
| H212 | C21 | C22 | H222 | 70.5° | 61.7° |
| H212 | C21 | C22 | H223 | 180.0° | 178.3° |
| H221 | C22 | H222 | H223 | 114.0° | 120.0° |
| C23 | C24 | C25 | H241 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 11.8° | 0.0° |
| C23 | C24 | C25 | H251 | 168.2° | 180.0° |
| C24 | C23 | C29 | C27 | 10.3° | 0.5° |
| C24 | C23 | C29 | H291 | 169.8° | 180.0° |
| C29 | C23 | C24 | C25 | 0.7° | 0.2° |
| C29 | C23 | C24 | H241 | 179.3° | 179.7° |
| C23 | C29 | C27 | C26 | 7.1° | 0.5° |
| C23 | C29 | C27 | N28 | 166.7° | 179.8° |
| C23 | C29 | C27 | H291 | 180.0° | 179.5° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 14.9° | 0.1° |
| C24 | C25 | C26 | H261 | 165.1° | 179.9° |
| H241 | C24 | C25 | C26 | 168.2° | 179.9° |
| H241 | C24 | C25 | H251 | 11.8° | 0.1° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | N28 | 180.0° | 180.0° |
| C25 | C26 | C27 | C29 | 5.6° | 0.3° |
| H251 | C25 | C26 | C27 | 165.1° | 179.9° |
| H251 | C25 | C26 | H261 | 14.9° | 0.1° |
| C26 | C27 | N28 | C29 | 174.1° | 179.7° |
| C26 | C27 | N28 | S30 | 101.1° | 0.1° |
| C26 | C27 | N28 | H281 | 24.2° | 180.0° |
| C26 | C27 | C29 | H291 | 172.9° | 179.9° |
| H261 | C26 | C27 | N28 | 0.0° | 0.1° |
| H261 | C26 | C27 | C29 | 174.4° | 179.8° |
| C27 | N28 | S30 | H281 | 125.3° | 179.9° |
| N28 | C27 | C29 | H291 | 13.3° | 0.2° |
| C27 | N28 | S30 | O31 | 53.4° | 172.6° |
| C27 | N28 | S30 | O32 | 179.2° | 52.6° |
| C27 | N28 | S30 | C33 | 61.0° | 60.0° |
| C29 | C27 | N28 | S30 | 84.8° | 179.8° |
| C29 | C27 | N28 | H281 | 149.9° | 0.3° |
| N28 | S30 | O31 | O32 | 120.1° | 123.2° |
| N28 | S30 | O31 | C33 | 115.2° | 113.7° |
| N28 | S30 | O32 | C33 | 118.0° | 113.7° |
| N28 | S30 | C33 | N34 | 98.5° | 90.3° |
| N28 | S30 | C33 | C38 | 84.8° | 90.0° |
| H281 | N28 | S30 | O31 | 71.9° | 7.4° |
| H281 | N28 | S30 | O32 | 53.9° | 127.4° |
| H281 | N28 | S30 | C33 | 173.7° | 120.0° |
| O31 | S30 | O32 | C33 | 122.6° | 123.1° |
| O31 | S30 | C33 | N34 | 15.6° | 157.1° |
| O31 | S30 | C33 | C38 | 161.1° | 22.6° |
| O32 | S30 | C33 | N34 | 143.8° | 22.4° |
| O32 | S30 | C33 | C38 | 32.9° | 157.4° |
| S30 | C33 | N34 | C38 | 176.6° | 179.7° |
| S30 | C33 | N34 | C35 | 177.6° | 179.8° |
| S30 | C33 | C38 | C37 | 180.0° | 180.0° |
| S30 | C33 | C38 | H381 | 0.0° | 0.0° |
| C33 | N34 | C35 | C36 | 5.4° | 0.5° |
| C33 | N34 | C35 | H351 | 174.6° | 179.7° |
| N34 | C33 | C38 | C37 | 3.5° | 0.2° |
| N34 | C33 | C38 | H381 | 176.5° | 179.8° |
| C38 | C33 | N34 | C35 | 1.0° | 0.5° |
| C33 | C38 | C37 | C36 | 0.3° | 0.1° |
| C33 | C38 | C37 | H381 | 180.0° | 180.0° |
| C33 | C38 | C37 | H371 | 179.7° | 180.0° |
| N34 | C35 | C36 | H351 | 180.0° | 179.8° |
| N34 | C35 | C36 | C37 | 9.1° | 0.2° |
| N34 | C35 | C36 | C39 | 174.3° | 179.8° |
| C35 | C36 | C37 | C39 | 176.4° | 180.0° |
| C35 | C36 | C37 | C38 | 6.2° | 0.1° |
| C35 | C36 | C37 | H371 | 173.8° | 180.0° |
| C35 | C36 | C39 | F40 | 37.1° | 0.0° |
| C35 | C36 | C39 | F41 | 157.7° | 120.0° |
| C35 | C36 | C39 | F42 | 80.5° | 120.0° |
| H351 | C35 | C36 | C37 | 170.9° | 180.0° |
| H351 | C35 | C36 | C39 | 5.7° | 0.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | H381 | 179.7° | 179.9° |
| C37 | C36 | C39 | F40 | 139.3° | 179.9° |
| C37 | C36 | C39 | F41 | 18.7° | 60.0° |
| C37 | C36 | C39 | F42 | 103.0° | 60.0° |
| C39 | C36 | C37 | C38 | 177.4° | 180.0° |
| C39 | C36 | C37 | H371 | 2.6° | 0.0° |
| C36 | C39 | F40 | F41 | 115.9° | 120.0° |
| C36 | C39 | F40 | F42 | 112.6° | 120.0° |
| C36 | C39 | F41 | F42 | 115.2° | 120.0° |
| H371 | C37 | C38 | H381 | 0.3° | 0.0° |
| F40 | C39 | F41 | F42 | 130.3° | 120.0° |
