BR4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C7 | C6 | sing | 1.51Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H11 | sing | 1.08Å | 1.10Å | |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H51 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | H21 | sing | 1.08Å | 1.10Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C3 | H31 | sing | 1.08Å | 1.10Å | |
| C13 | O1 | doub | 1.21Å | 1.23Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C13 | N1 | sing | 1.35Å | 1.33Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| N1 | C14 | sing | 1.47Å | 1.48Å | |
| N1 | HN11 | sing | 0.97Å | 1.02Å | |
| C23 | C14 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.51Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.11Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C22 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | H221 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | H211 | sing | 1.08Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.12Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | O2 | doub | 1.21Å | 1.24Å | |
| C25 | OT3 | sing | 1.34Å | 1.25Å | |
| OT3 | HO31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C9 | C10 | 110.9° | 109.5° |
| C8 | C9 | H91 | 111.7° | 109.4° |
| C8 | C9 | H92 | 111.7° | 109.5° |
| C9 | C8 | C7 | 111.5° | 109.5° |
| C9 | C8 | H81 | 111.5° | 109.4° |
| C9 | C8 | H82 | 111.5° | 109.5° |
| C10 | C9 | H91 | 111.7° | 109.4° |
| C10 | C9 | H92 | 111.7° | 109.5° |
| C9 | C10 | C11 | 110.5° | 109.5° |
| C9 | C10 | H101 | 111.8° | 109.4° |
| C9 | C10 | H102 | 111.8° | 109.5° |
| H91 | C9 | H92 | 98.7° | 109.4° |
| C7 | C8 | H81 | 111.5° | 109.5° |
| C7 | C8 | H82 | 111.5° | 109.5° |
| C8 | C7 | C6 | 114.1° | 109.4° |
| C8 | C7 | H71 | 110.5° | 109.5° |
| C8 | C7 | H72 | 110.5° | 109.5° |
| H81 | C8 | H82 | 98.9° | 109.5° |
| C6 | C7 | H71 | 110.5° | 109.5° |
| C6 | C7 | H72 | 110.5° | 109.5° |
| C7 | C6 | C1 | 120.4° | 120.0° |
| C7 | C6 | C5 | 120.9° | 120.0° |
| H71 | C7 | H72 | 99.7° | 109.5° |
| C1 | C6 | C5 | 118.7° | 120.0° |
| C6 | C1 | C2 | 120.9° | 120.1° |
| C6 | C1 | H11 | 119.5° | 120.0° |
| C6 | C5 | C4 | 120.9° | 120.0° |
| C6 | C5 | H51 | 119.4° | 120.0° |
| C2 | C1 | H11 | 119.6° | 119.9° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C1 | C2 | H21 | 120.4° | 120.1° |
| C4 | C5 | H51 | 119.7° | 120.0° |
| C5 | C4 | C3 | 119.6° | 120.0° |
| C5 | C4 | H41 | 120.6° | 120.0° |
| C3 | C2 | H21 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C2 | C3 | H31 | 119.9° | 120.0° |
| C3 | C4 | H41 | 119.8° | 120.0° |
| C4 | C3 | H31 | 119.8° | 120.0° |
| O1 | C13 | C12 | 120.1° | 120.0° |
| O1 | C13 | N1 | 123.3° | 120.0° |
| C12 | C13 | N1 | 115.3° | 120.0° |
| C13 | C12 | C11 | 112.3° | 109.5° |
| C13 | C12 | H121 | 111.2° | 109.5° |
| C13 | C12 | H122 | 111.2° | 109.4° |
| C13 | N1 | C14 | 122.1° | 120.0° |
| C13 | N1 | HN11 | 113.6° | 120.0° |
| C11 | C12 | H121 | 111.2° | 109.5° |
| C11 | C12 | H122 | 111.2° | 109.4° |
| C12 | C11 | C10 | 111.9° | 109.5° |
| C12 | C11 | H111 | 111.3° | 109.5° |
| C12 | C11 | H112 | 111.3° | 109.5° |
| H121 | C12 | H122 | 99.2° | 109.5° |
| C10 | C11 | H111 | 111.3° | 109.4° |
| C10 | C11 | H112 | 111.3° | 109.5° |
| C11 | C10 | H101 | 111.8° | 109.4° |
| C11 | C10 | H102 | 111.8° | 109.5° |
| H111 | C11 | H112 | 99.1° | 109.4° |
| H101 | C10 | H102 | 98.6° | 109.4° |
| C14 | N1 | HN11 | 124.3° | 120.0° |
| N1 | C14 | C23 | 110.9° | 109.5° |
| N1 | C14 | C15 | 110.6° | 109.5° |
| N1 | C14 | H141 | 107.3° | 109.4° |
| C14 | C23 | C24 | 114.2° | 109.5° |
| C14 | C23 | H231 | 110.5° | 109.5° |
| C14 | C23 | H232 | 110.5° | 109.4° |
| C23 | C14 | C15 | 107.9° | 109.5° |
| C23 | C14 | H141 | 109.9° | 109.5° |
| C24 | C23 | H231 | 110.5° | 109.5° |
| C24 | C23 | H232 | 110.5° | 109.4° |
| C23 | C24 | C25 | 112.4° | 109.5° |
| C23 | C24 | H241 | 111.1° | 109.5° |
| C23 | C24 | H242 | 111.1° | 109.4° |
| H231 | C23 | H232 | 99.8° | 109.4° |
| C15 | C14 | H141 | 110.2° | 109.5° |
| C14 | C15 | C16 | 114.3° | 109.5° |
| C14 | C15 | H151 | 110.5° | 109.5° |
| C14 | C15 | H152 | 110.5° | 109.5° |
| C16 | C15 | H151 | 110.4° | 109.4° |
| C16 | C15 | H152 | 110.5° | 109.4° |
| C15 | C16 | C17 | 114.0° | 109.5° |
| C15 | C16 | H161 | 110.6° | 109.5° |
| C15 | C16 | H162 | 110.6° | 109.4° |
| H151 | C15 | H152 | 99.8° | 109.5° |
| C17 | C16 | H161 | 110.6° | 109.5° |
| C17 | C16 | H162 | 110.6° | 109.5° |
| C16 | C17 | C18 | 120.7° | 120.0° |
| C16 | C17 | C22 | 120.4° | 120.0° |
| H161 | C16 | H162 | 99.7° | 109.5° |
| C18 | C17 | C22 | 118.8° | 120.1° |
| C17 | C18 | C19 | 120.7° | 120.0° |
| C17 | C18 | H181 | 119.8° | 120.1° |
| C17 | C22 | C21 | 120.8° | 120.0° |
| C17 | C22 | H221 | 119.5° | 120.1° |
| C19 | C18 | H181 | 119.5° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| C21 | C22 | H221 | 119.7° | 120.0° |
| C22 | C21 | C20 | 119.9° | 120.0° |
| C22 | C21 | H211 | 120.3° | 120.0° |
| C20 | C19 | H191 | 120.1° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C19 | C20 | H201 | 120.2° | 120.0° |
| C20 | C21 | H211 | 119.9° | 120.0° |
| C21 | C20 | H201 | 119.9° | 120.0° |
| C25 | C24 | H241 | 111.1° | 109.5° |
| C25 | C24 | H242 | 111.1° | 109.4° |
| C24 | C25 | O2 | 118.7° | 120.0° |
| C24 | C25 | OT3 | 119.6° | 120.0° |
| H241 | C24 | H242 | 99.2° | 109.4° |
| O2 | C25 | OT3 | 121.7° | 120.0° |
| C25 | OT3 | HO31 | 119.6° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C9 | C10 | H91 | 125.2° | 119.9° |
| C8 | C9 | C10 | H92 | 125.3° | 120.1° |
| C8 | C9 | H91 | H92 | 117.6° | 120.0° |
| C9 | C8 | C7 | H81 | 125.3° | 119.9° |
| C9 | C8 | C7 | H82 | 125.3° | 120.1° |
| C9 | C8 | H81 | H82 | 117.4° | 120.0° |
| C9 | C8 | C7 | C6 | 80.3° | 180.0° |
| C9 | C8 | C7 | H71 | 154.4° | 60.1° |
| C9 | C8 | C7 | H72 | 45.0° | 60.0° |
| C8 | C9 | C10 | C11 | 179.6° | 180.0° |
| C8 | C9 | C10 | H101 | 54.3° | 60.1° |
| C8 | C9 | C10 | H102 | 55.2° | 59.9° |
| C10 | C9 | H91 | H92 | 117.6° | 120.0° |
| C10 | C9 | C8 | C7 | 178.0° | 180.0° |
| C10 | C9 | C8 | H81 | 52.7° | 60.0° |
| C10 | C9 | C8 | H82 | 56.7° | 59.9° |
| C9 | C10 | C11 | C12 | 174.4° | 180.0° |
| C9 | C10 | C11 | H101 | 125.2° | 120.0° |
| C9 | C10 | C11 | H102 | 125.3° | 120.1° |
| C9 | C10 | C11 | H111 | 60.4° | 60.0° |
| C9 | C10 | C11 | H112 | 49.2° | 59.9° |
| C9 | C10 | H101 | H102 | 117.7° | 120.0° |
| H91 | C9 | C8 | C7 | 52.8° | 60.0° |
| H91 | C9 | C8 | H81 | 72.5° | NaN° |
| H91 | C9 | C8 | H82 | 178.0° | 60.0° |
| H91 | C9 | C10 | C11 | 55.2° | 60.0° |
| H91 | C9 | C10 | H101 | 179.6° | 180.0° |
| H91 | C9 | C10 | H102 | 70.1° | 60.0° |
| H92 | C9 | C8 | C7 | 56.7° | 59.9° |
| H92 | C9 | C8 | H81 | 178.0° | 60.1° |
| H92 | C9 | C8 | H82 | 68.5° | 180.0° |
| H92 | C9 | C10 | C11 | 54.3° | 59.9° |
| H92 | C9 | C10 | H101 | 70.9° | 60.0° |
| H92 | C9 | C10 | H102 | 179.6° | 180.0° |
| C7 | C8 | H81 | H82 | 117.3° | 120.0° |
| C8 | C7 | C6 | H71 | 125.3° | 120.0° |
| C8 | C7 | C6 | H72 | 125.3° | 120.0° |
| C8 | C7 | H71 | H72 | 116.3° | 120.0° |
| C8 | C7 | C6 | C1 | 87.2° | 90.1° |
| C8 | C7 | C6 | C5 | 93.9° | 90.3° |
| H81 | C8 | C7 | C6 | 45.0° | 60.0° |
| H81 | C8 | C7 | H71 | 80.3° | 180.0° |
| H81 | C8 | C7 | H72 | 170.3° | 60.0° |
| H82 | C8 | C7 | C6 | 154.5° | 60.0° |
| H82 | C8 | C7 | H71 | 29.2° | 60.0° |
| H82 | C8 | C7 | H72 | 80.3° | 180.0° |
| C6 | C7 | H71 | H72 | 116.4° | 120.0° |
| C7 | C6 | C1 | C5 | 178.9° | 179.7° |
| C7 | C6 | C1 | C2 | 178.7° | 180.0° |
| C7 | C6 | C1 | H11 | 1.3° | 0.1° |
| C7 | C6 | C5 | C4 | 178.7° | 179.9° |
| C7 | C6 | C5 | H51 | 1.3° | 0.2° |
| H71 | C7 | C6 | C1 | 38.1° | 29.9° |
| H71 | C7 | C6 | C5 | 140.8° | 149.7° |
| H72 | C7 | C6 | C1 | 147.6° | 150.0° |
| H72 | C7 | C6 | C5 | 31.3° | 29.7° |
| C6 | C1 | C2 | H11 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.5° |
| C1 | C6 | C5 | H51 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.1° |
| C6 | C1 | C2 | H21 | 179.8° | 179.9° |
| C5 | C6 | C1 | C2 | 0.3° | 0.3° |
| C5 | C6 | C1 | H11 | 179.7° | 179.8° |
| C6 | C5 | C4 | H51 | 180.0° | 179.6° |
| C6 | C5 | C4 | C3 | 0.2° | 0.4° |
| C6 | C5 | C4 | H41 | 179.8° | 179.7° |
| C1 | C2 | C3 | H21 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | H31 | 179.8° | 179.9° |
| H11 | C1 | C2 | C3 | 179.8° | 180.0° |
| H11 | C1 | C2 | H21 | 0.2° | 0.0° |
| C5 | C4 | C3 | C2 | 0.1° | 0.2° |
| C5 | C4 | C3 | H41 | 180.0° | 179.8° |
| C5 | C4 | C3 | H31 | 179.9° | 179.9° |
| H51 | C5 | C4 | C3 | 179.8° | 179.9° |
| H51 | C5 | C4 | H41 | 0.2° | 0.1° |
| C2 | C3 | C4 | H31 | 180.0° | 179.8° |
| C2 | C3 | C4 | H41 | 179.8° | 179.9° |
| H21 | C2 | C3 | C4 | 179.8° | 179.9° |
| H21 | C2 | C3 | H31 | 0.2° | 0.1° |
| H41 | C4 | C3 | H31 | 0.1° | 0.1° |
| O1 | C13 | C12 | N1 | 167.2° | 180.0° |
| O1 | C13 | C12 | C11 | 101.4° | 0.0° |
| O1 | C13 | C12 | H121 | 23.9° | 120.0° |
| O1 | C13 | C12 | H122 | 133.4° | 119.9° |
| O1 | C13 | N1 | C14 | 24.5° | 0.1° |
| O1 | C13 | N1 | HN11 | 155.5° | 180.0° |
| C13 | C12 | C11 | H121 | 125.2° | 120.0° |
| C13 | C12 | C11 | H122 | 125.2° | 119.9° |
| C13 | C12 | H121 | H122 | 117.1° | 120.0° |
| C13 | C12 | C11 | C10 | 62.2° | 180.0° |
| C13 | C12 | C11 | H111 | 172.5° | 60.0° |
| C13 | C12 | C11 | H112 | 63.0° | 60.0° |
| C12 | C13 | N1 | C14 | 168.8° | 180.0° |
| C12 | C13 | N1 | HN11 | 11.2° | 0.0° |
| N1 | C13 | C12 | C11 | 91.5° | 180.0° |
| N1 | C13 | C12 | H121 | 143.3° | 60.0° |
| N1 | C13 | C12 | H122 | 33.8° | 60.0° |
| C13 | N1 | C14 | HN11 | 180.0° | 180.0° |
| C13 | N1 | C14 | C23 | 121.0° | 90.0° |
| C13 | N1 | C14 | C15 | 119.3° | 150.0° |
| C13 | N1 | C14 | H141 | 0.9° | 30.0° |
| C11 | C12 | H121 | H122 | 117.1° | 120.0° |
| C12 | C11 | C10 | H111 | 125.3° | 120.0° |
| C12 | C11 | C10 | H112 | 125.2° | 120.1° |
| C12 | C11 | H111 | H112 | 117.2° | 120.0° |
| C12 | C11 | C10 | H101 | 60.4° | 60.0° |
| C12 | C11 | C10 | H102 | 49.1° | 59.9° |
| H121 | C12 | C11 | C10 | 63.0° | 60.0° |
| H121 | C12 | C11 | H111 | 62.2° | 180.0° |
| H121 | C12 | C11 | H112 | 171.7° | 60.1° |
| H122 | C12 | C11 | C10 | 172.5° | 60.0° |
| H122 | C12 | C11 | H111 | 47.3° | 60.0° |
| H122 | C12 | C11 | H112 | 62.2° | 179.9° |
| C10 | C11 | H111 | H112 | 117.2° | 120.0° |
| C11 | C10 | H101 | H102 | 117.7° | 120.0° |
| H111 | C11 | C10 | H101 | 64.9° | 180.0° |
| H111 | C11 | C10 | H102 | 174.4° | 60.1° |
| H112 | C11 | C10 | H101 | 174.4° | 60.1° |
| H112 | C11 | C10 | H102 | 76.1° | 180.0° |
| N1 | C14 | C23 | C15 | 121.3° | 120.1° |
| N1 | C14 | C23 | H141 | 118.5° | 119.9° |
| N1 | C14 | C23 | C24 | 164.5° | 59.9° |
| N1 | C14 | C23 | H231 | 70.2° | 180.0° |
| N1 | C14 | C23 | H232 | 39.3° | 60.0° |
| N1 | C14 | C15 | H141 | 118.5° | 120.0° |
| N1 | C14 | C15 | C16 | 59.8° | 60.0° |
| N1 | C14 | C15 | H151 | 65.5° | 180.0° |
| N1 | C14 | C15 | H152 | 174.9° | 59.9° |
| HN11 | N1 | C14 | C23 | 59.0° | 90.0° |
| HN11 | N1 | C14 | C15 | 60.7° | 30.0° |
| HN11 | N1 | C14 | H141 | 179.1° | 150.0° |
| C14 | C23 | C24 | H231 | 125.3° | 120.1° |
| C14 | C23 | C24 | H232 | 125.3° | 119.9° |
| C14 | C23 | H231 | H232 | 116.3° | 119.9° |
| C23 | C14 | C15 | H141 | 120.1° | 120.0° |
| C23 | C14 | C15 | C16 | 178.7° | 180.0° |
| C23 | C14 | C15 | H151 | 56.0° | 60.0° |
| C23 | C14 | C15 | H152 | 53.5° | 60.1° |
| C14 | C23 | C24 | C25 | 72.7° | 180.0° |
| C14 | C23 | C24 | H241 | 52.6° | 59.9° |
| C14 | C23 | C24 | H242 | 162.1° | 60.1° |
| C24 | C23 | H231 | H232 | 116.3° | 120.0° |
| C24 | C23 | C14 | C15 | 74.2° | 180.0° |
| C24 | C23 | C14 | H141 | 46.1° | 60.0° |
| C23 | C24 | C25 | H241 | 125.3° | 120.1° |
| C23 | C24 | C25 | H242 | 125.2° | 119.9° |
| C23 | C24 | H241 | H242 | 117.0° | 119.9° |
| C23 | C24 | C25 | O2 | 25.5° | 0.1° |
| C23 | C24 | C25 | OT3 | 155.1° | 180.0° |
| H231 | C23 | C14 | C15 | 51.1° | 59.9° |
| H231 | C23 | C14 | H141 | 171.3° | 60.1° |
| H231 | C23 | C24 | C25 | 162.1° | 59.9° |
| H231 | C23 | C24 | H241 | 72.7° | 180.0° |
| H231 | C23 | C24 | H242 | 36.8° | 60.1° |
| H232 | C23 | C14 | C15 | 160.6° | 60.0° |
| H232 | C23 | C14 | H141 | 79.2° | 179.9° |
| H232 | C23 | C24 | C25 | 52.6° | 60.1° |
| H232 | C23 | C24 | H241 | 177.9° | 60.0° |
| H232 | C23 | C24 | H242 | 72.6° | 180.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.1° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 116.3° | 120.1° |
| C14 | C15 | C16 | C17 | 76.1° | 180.0° |
| C14 | C15 | C16 | H161 | 49.1° | 59.9° |
| C14 | C15 | C16 | H162 | 158.6° | 60.0° |
| H141 | C14 | C15 | C16 | 58.7° | 60.0° |
| H141 | C14 | C15 | H151 | 176.1° | 60.0° |
| H141 | C14 | C15 | H152 | 66.6° | 179.9° |
| C16 | C15 | H151 | H152 | 116.3° | 119.9° |
| C15 | C16 | C17 | H161 | 125.3° | 120.0° |
| C15 | C16 | C17 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 116.4° | 120.0° |
| C15 | C16 | C17 | C18 | 28.7° | 90.0° |
| C15 | C16 | C17 | C22 | 153.6° | 90.2° |
| H151 | C15 | C16 | C17 | 158.6° | 59.9° |
| H151 | C15 | C16 | H161 | 76.1° | 180.0° |
| H151 | C15 | C16 | H162 | 33.3° | 60.0° |
| H152 | C15 | C16 | C17 | 49.2° | 60.0° |
| H152 | C15 | C16 | H161 | 174.4° | 60.0° |
| H152 | C15 | C16 | H162 | 76.1° | 180.0° |
| C17 | C16 | H161 | H162 | 116.4° | 120.0° |
| C16 | C17 | C18 | C22 | 177.7° | 179.7° |
| C16 | C17 | C18 | C19 | 177.4° | 180.0° |
| C16 | C17 | C18 | H181 | 2.6° | 0.0° |
| C16 | C17 | C22 | C21 | 177.4° | 179.8° |
| C16 | C17 | C22 | H221 | 2.6° | 0.2° |
| H161 | C16 | C17 | C18 | 154.0° | 30.0° |
| H161 | C16 | C17 | C22 | 28.3° | 149.7° |
| H162 | C16 | C17 | C18 | 96.6° | 150.0° |
| H162 | C16 | C17 | C22 | 81.1° | 29.7° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C18 | C17 | C22 | C21 | 0.3° | 0.5° |
| C18 | C17 | C22 | H221 | 179.6° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.0° |
| C17 | C18 | C19 | H191 | 180.0° | 179.9° |
| C22 | C17 | C18 | C19 | 0.3° | 0.3° |
| C22 | C17 | C18 | H181 | 179.7° | 179.7° |
| C17 | C22 | C21 | H221 | 180.0° | 179.6° |
| C17 | C22 | C21 | C20 | 0.1° | 0.4° |
| C17 | C22 | C21 | H211 | 179.9° | 179.7° |
| C18 | C19 | C20 | H191 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | H201 | 179.8° | 179.9° |
| H181 | C18 | C19 | C20 | 179.9° | 179.9° |
| H181 | C18 | C19 | H191 | 0.1° | 0.1° |
| C22 | C21 | C20 | C19 | 0.1° | 0.2° |
| C22 | C21 | C20 | H211 | 180.0° | 179.9° |
| C22 | C21 | C20 | H201 | 179.9° | 179.9° |
| H221 | C22 | C21 | C20 | 179.9° | 180.0° |
| H221 | C22 | C21 | H211 | 0.1° | 0.1° |
| C19 | C20 | C21 | H201 | 180.0° | 179.9° |
| C19 | C20 | C21 | H211 | 179.9° | 179.9° |
| H191 | C19 | C20 | C21 | 179.8° | 180.0° |
| H191 | C19 | C20 | H201 | 0.2° | 0.1° |
| H211 | C21 | C20 | H201 | 0.1° | 0.0° |
| C25 | C24 | H241 | H242 | 117.0° | 120.0° |
| C24 | C25 | O2 | OT3 | 179.4° | 179.9° |
| C24 | C25 | OT3 | HO31 | 180.0° | 180.0° |
| H241 | C24 | C25 | O2 | 150.7° | 120.0° |
| H241 | C24 | C25 | OT3 | 29.8° | 59.9° |
| H242 | C24 | C25 | O2 | 99.8° | 120.0° |
| H242 | C24 | C25 | OT3 | 79.7° | 60.1° |
| O2 | C25 | OT3 | HO31 | 0.6° | 0.1° |
