RWE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | doub | 1.36Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C20 | C1 | sing | 1.41Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.36Å | Aromatic |
| C1 | C19 | doub | 1.41Å | 1.41Å | Aromatic |
| C1 | C4 | sing | 1.42Å | 1.41Å | Aromatic |
| C23 | C4 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C18 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C2 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | C5 | sing | 1.51Å | 1.51Å | |
| O1 | C15 | sing | 1.43Å | 1.44Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C5 | N1 | sing | 1.46Å | 1.45Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | N6 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.38Å | 1.34Å | |
| N2 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C7 | sing | 1.33Å | 1.35Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| N6 | C7 | sing | 1.38Å | 1.34Å | |
| C6 | C9 | sing | 1.41Å | 1.41Å | Aromatic |
| C7 | N3 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | N4 | sing | 1.36Å | 1.39Å | Aromatic |
| N3 | C8 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| N4 | C10 | doub | 1.30Å | 1.31Å | Aromatic |
| C10 | N5 | sing | 1.36Å | 1.37Å | Aromatic |
| N5 | C11 | sing | 1.47Å | 1.46Å | |
| C13 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N6 | H61 | sing | 0.97Å | 1.00Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C21 | C22 | 120.1° | 121.0° |
| C21 | C20 | C1 | 121.2° | 119.6° |
| C21 | C20 | H201 | 119.4° | 120.2° |
| C20 | C21 | H211 | 120.0° | 119.5° |
| C21 | C22 | C23 | 120.3° | 121.0° |
| C22 | C21 | H211 | 120.0° | 119.5° |
| C21 | C22 | H221 | 119.8° | 119.5° |
| C20 | C1 | C19 | 123.1° | 121.2° |
| C20 | C1 | C4 | 118.4° | 119.4° |
| C1 | C20 | H201 | 119.4° | 120.2° |
| C22 | C23 | C4 | 121.6° | 119.7° |
| C23 | C22 | H221 | 119.9° | 119.5° |
| C22 | C23 | H231 | 119.2° | 120.1° |
| C19 | C1 | C4 | 118.5° | 119.4° |
| C1 | C19 | C18 | 120.8° | 119.6° |
| C1 | C19 | H191 | 119.6° | 120.3° |
| C1 | C4 | C23 | 118.5° | 119.4° |
| C1 | C4 | C3 | 119.5° | 119.3° |
| C23 | C4 | C3 | 122.1° | 121.3° |
| C4 | C23 | H231 | 119.2° | 120.2° |
| C19 | C18 | C2 | 121.3° | 121.0° |
| C19 | C18 | H181 | 119.4° | 119.5° |
| C18 | C19 | H191 | 119.6° | 120.1° |
| C4 | C3 | C2 | 121.3° | 119.7° |
| C4 | C3 | H31 | 119.3° | 120.1° |
| C18 | C2 | C3 | 118.6° | 120.9° |
| C18 | C2 | C5 | 119.9° | 119.5° |
| C2 | C18 | H181 | 119.4° | 119.5° |
| C3 | C2 | C5 | 121.4° | 119.6° |
| C2 | C3 | H31 | 119.3° | 120.2° |
| C2 | C5 | N1 | 112.3° | 109.5° |
| C2 | C5 | H52 | 108.8° | 109.4° |
| C2 | C5 | H51 | 108.7° | 109.5° |
| O1 | C15 | C14 | 110.6° | 109.5° |
| O1 | C15 | H151 | 109.2° | 109.4° |
| O1 | C15 | H152 | 109.2° | 109.5° |
| C15 | O1 | H12 | 109.5° | 114.0° |
| C15 | C14 | C16 | 114.2° | 109.5° |
| C15 | C14 | N6 | 108.6° | 109.5° |
| C14 | C15 | H151 | 109.2° | 109.5° |
| C14 | C15 | H152 | 109.2° | 109.4° |
| C15 | C14 | H141 | 108.1° | 109.5° |
| C5 | N1 | C6 | 123.7° | 120.0° |
| N1 | C5 | H52 | 108.7° | 109.4° |
| N1 | C5 | H51 | 108.8° | 109.5° |
| C5 | N1 | H11 | 105.9° | 120.0° |
| C16 | C14 | N6 | 109.0° | 109.5° |
| C14 | C16 | C17 | 114.6° | 109.5° |
| C16 | C14 | H141 | 108.0° | 109.5° |
| C14 | C16 | H161 | 108.2° | 109.5° |
| C14 | C16 | H162 | 108.2° | 109.5° |
| C14 | N6 | C7 | 123.3° | 120.0° |
| N6 | C14 | H141 | 108.9° | 109.5° |
| C14 | N6 | H61 | 105.9° | 120.0° |
| N1 | C6 | N2 | 119.6° | 120.7° |
| N1 | C6 | C9 | 121.5° | 120.7° |
| C6 | N1 | H11 | 105.8° | 120.0° |
| C6 | N2 | C7 | 119.8° | 121.1° |
| N2 | C6 | C9 | 118.9° | 118.6° |
| N2 | C7 | N6 | 116.5° | 118.9° |
| N2 | C7 | N3 | 125.6° | 122.2° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C16 | C17 | H171 | 109.5° | 109.5° |
| C17 | C16 | H161 | 108.1° | 109.4° |
| C17 | C16 | H162 | 108.2° | 109.5° |
| N6 | C7 | N3 | 117.9° | 118.8° |
| C7 | N6 | H61 | 105.9° | 120.1° |
| C6 | C9 | C8 | 115.9° | 118.3° |
| C6 | C9 | N4 | 133.3° | 134.6° |
| C7 | N3 | C8 | 113.0° | 120.6° |
| C8 | C9 | N4 | 110.8° | 107.2° |
| C9 | C8 | N3 | 126.8° | 119.2° |
| C9 | C8 | N5 | 105.8° | 106.0° |
| C9 | N4 | C10 | 103.6° | 109.4° |
| N3 | C8 | N5 | 127.3° | 134.8° |
| C8 | N5 | C10 | 105.5° | 107.5° |
| C8 | N5 | C11 | 129.4° | 126.3° |
| N4 | C10 | N5 | 114.3° | 110.0° |
| N4 | C10 | H101 | 122.9° | 125.0° |
| C10 | N5 | C11 | 125.0° | 126.3° |
| N5 | C10 | H101 | 122.8° | 125.1° |
| N5 | C11 | C13 | 111.0° | 109.5° |
| N5 | C11 | C12 | 111.7° | 109.5° |
| N5 | C11 | H111 | 107.0° | 109.5° |
| C13 | C11 | C12 | 113.8° | 109.5° |
| C11 | C13 | H132 | 109.5° | 109.5° |
| C11 | C13 | H131 | 109.4° | 109.5° |
| C11 | C13 | H133 | 109.5° | 109.4° |
| C13 | C11 | H111 | 106.5° | 109.4° |
| C12 | C11 | H111 | 106.4° | 109.4° |
| C11 | C12 | H122 | 109.5° | 109.4° |
| C11 | C12 | H123 | 109.5° | 109.5° |
| C11 | C12 | H121 | 109.4° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.4° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H173 | C17 | H171 | 109.4° | 109.4° |
| H122 | C12 | H123 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H123 | C12 | H121 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H52 | C5 | H51 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C21 | C20 | C1 | H201 | 180.0° | 179.7° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C21 | C20 | C1 | C19 | 179.7° | 179.8° |
| C21 | C20 | C1 | C4 | 0.2° | 0.2° |
| C20 | C21 | C22 | H221 | 179.8° | 180.0° |
| C22 | C21 | C20 | C1 | 0.3° | 0.0° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C4 | 0.1° | 0.2° |
| C22 | C21 | C20 | H201 | 179.7° | 179.7° |
| C21 | C22 | C23 | H231 | 179.9° | 180.0° |
| C20 | C1 | C19 | C4 | 179.6° | 180.0° |
| C20 | C1 | C4 | C23 | 0.0° | 0.4° |
| C20 | C1 | C19 | C18 | 179.8° | 180.0° |
| C20 | C1 | C4 | C3 | 179.9° | 180.0° |
| C1 | C20 | C21 | H211 | 179.7° | 180.0° |
| C20 | C1 | C19 | H191 | 0.2° | 0.0° |
| C22 | C23 | C4 | C1 | 0.0° | 0.4° |
| C22 | C23 | C4 | H231 | 180.0° | 179.8° |
| C22 | C23 | C4 | C3 | 179.9° | 180.0° |
| C23 | C22 | C21 | H211 | 179.7° | 180.0° |
| C19 | C1 | C4 | C23 | 179.6° | 179.6° |
| C1 | C19 | C18 | H191 | 180.0° | 180.0° |
| C19 | C1 | C4 | C3 | 0.3° | 0.0° |
| C1 | C19 | C18 | C2 | 0.1° | 0.0° |
| C19 | C1 | C20 | H201 | 0.3° | 0.1° |
| C1 | C19 | C18 | H181 | 179.9° | 180.0° |
| C1 | C4 | C23 | C3 | 179.9° | 179.6° |
| C4 | C1 | C19 | C18 | 0.6° | 0.0° |
| C1 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C1 | C20 | H201 | 179.8° | 179.9° |
| C4 | C1 | C19 | H191 | 179.4° | 180.0° |
| C1 | C4 | C23 | H231 | 180.0° | 179.8° |
| C1 | C4 | C3 | H31 | 179.2° | 180.0° |
| C23 | C4 | C3 | C2 | 179.3° | 179.5° |
| C4 | C23 | C22 | H221 | 179.9° | 179.8° |
| C23 | C4 | C3 | H31 | 0.7° | 0.4° |
| C19 | C18 | C2 | H181 | 180.0° | 179.9° |
| C19 | C18 | C2 | C3 | 1.2° | 0.0° |
| C19 | C18 | C2 | C5 | 179.5° | 180.0° |
| C4 | C3 | C2 | C18 | 1.5° | 0.0° |
| C4 | C3 | C2 | H31 | 180.0° | 180.0° |
| C4 | C3 | C2 | C5 | 179.8° | 180.0° |
| C3 | C4 | C23 | H231 | 0.1° | 0.2° |
| C18 | C2 | C3 | C5 | 178.2° | 180.0° |
| C18 | C2 | C5 | N1 | 102.8° | 90.0° |
| C2 | C18 | C19 | H191 | 179.9° | 180.0° |
| C18 | C2 | C3 | H31 | 178.5° | 180.0° |
| C18 | C2 | C5 | H52 | 17.6° | 150.1° |
| C18 | C2 | C5 | H51 | 136.8° | 30.0° |
| C3 | C2 | C5 | N1 | 79.0° | 90.0° |
| C3 | C2 | C18 | H181 | 178.8° | 180.0° |
| C3 | C2 | C5 | H52 | 160.6° | 29.9° |
| C3 | C2 | C5 | H51 | 41.4° | 150.0° |
| C2 | C5 | N1 | H52 | 120.4° | 119.9° |
| C2 | C5 | N1 | H51 | 120.4° | 120.0° |
| C2 | C5 | N1 | C6 | 97.1° | 180.0° |
| C5 | C2 | C18 | H181 | 0.5° | 0.0° |
| C5 | C2 | C3 | H31 | 0.2° | 0.0° |
| C2 | C5 | H52 | H51 | 118.7° | 120.0° |
| C2 | C5 | N1 | H11 | 140.9° | 0.1° |
| O1 | C15 | C14 | H151 | 120.2° | 120.0° |
| O1 | C15 | C14 | H152 | 120.2° | 120.0° |
| O1 | C15 | C14 | C16 | 77.5° | 55.0° |
| O1 | C15 | C14 | N6 | 44.3° | 65.0° |
| O1 | C15 | H151 | H152 | 119.5° | 120.0° |
| O1 | C15 | C14 | H141 | 162.3° | 175.0° |
| C15 | C14 | C16 | N6 | 121.6° | 120.0° |
| C15 | C14 | C16 | H141 | 120.3° | 120.0° |
| C15 | C14 | N6 | H141 | 117.5° | 120.0° |
| C15 | C14 | C16 | C17 | 166.9° | 175.0° |
| C15 | C14 | N6 | C7 | 107.6° | 155.0° |
| C14 | C15 | H151 | H152 | 119.5° | 120.0° |
| C15 | C14 | C16 | H161 | 72.4° | 65.0° |
| C15 | C14 | C16 | H162 | 46.1° | 55.0° |
| C15 | C14 | N6 | H61 | 130.5° | 25.0° |
| C14 | C15 | O1 | H12 | 180.0° | 180.0° |
| C5 | N1 | C6 | H11 | 122.0° | 179.9° |
| C5 | N1 | C6 | N2 | 14.5° | 0.0° |
| C5 | N1 | C6 | C9 | 165.7° | 180.0° |
| N1 | C5 | H52 | H51 | 118.7° | 120.1° |
| C16 | C14 | N6 | H141 | 117.6° | 120.0° |
| C14 | C16 | C17 | H161 | 120.8° | 120.0° |
| C14 | C16 | C17 | H162 | 120.8° | 120.0° |
| C16 | C14 | N6 | C7 | 127.4° | 85.0° |
| C16 | C14 | C15 | H151 | 162.3° | 65.0° |
| C16 | C14 | C15 | H152 | 42.7° | 175.0° |
| C14 | C16 | C17 | H172 | 180.0° | 60.0° |
| C14 | C16 | C17 | H173 | 60.0° | 60.0° |
| C14 | C16 | C17 | H171 | 60.0° | 180.0° |
| C14 | C16 | H161 | H162 | 117.7° | 120.0° |
| C16 | C14 | N6 | H61 | 5.5° | 95.0° |
| C14 | N6 | C7 | N2 | 88.1° | 0.3° |
| N6 | C14 | C16 | C17 | 45.2° | 65.0° |
| C14 | N6 | C7 | H61 | 121.9° | 180.0° |
| C14 | N6 | C7 | N3 | 91.2° | 180.0° |
| N6 | C14 | C15 | H151 | 75.9° | 175.0° |
| N6 | C14 | C15 | H152 | 164.5° | 55.0° |
| N6 | C14 | C16 | H161 | 166.0° | 55.0° |
| N6 | C14 | C16 | H162 | 75.5° | 175.0° |
| N1 | C6 | N2 | C9 | 179.8° | 180.0° |
| N1 | C6 | N2 | C7 | 179.7° | 179.9° |
| N1 | C6 | C9 | C8 | 179.8° | 180.0° |
| N1 | C6 | C9 | N4 | 0.1° | 0.4° |
| C6 | N1 | C5 | H52 | 23.3° | 60.1° |
| C6 | N1 | C5 | H51 | 142.5° | 60.0° |
| C6 | N2 | C7 | N6 | 179.9° | 179.7° |
| C6 | N2 | C7 | N3 | 0.6° | 0.0° |
| N2 | C6 | C9 | C8 | 0.0° | 0.0° |
| N2 | C6 | C9 | N4 | 179.7° | 179.5° |
| N2 | C6 | N1 | H11 | 136.5° | 179.9° |
| N2 | C7 | N6 | N3 | 179.3° | 179.7° |
| C7 | N2 | C6 | C9 | 0.5° | 0.2° |
| N2 | C7 | N3 | C8 | 0.1° | 0.4° |
| N2 | C7 | N6 | H61 | 150.0° | 179.7° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| C16 | C17 | H172 | H171 | 120.0° | 120.1° |
| C16 | C17 | H173 | H171 | 120.0° | 120.0° |
| C17 | C16 | C14 | H141 | 72.9° | 55.0° |
| C17 | C16 | H161 | H162 | 117.6° | 120.0° |
| N6 | C7 | N3 | C8 | 179.3° | 180.0° |
| C7 | N6 | C14 | H141 | 9.8° | 35.0° |
| C6 | C9 | C8 | N4 | 179.7° | 179.7° |
| C6 | C9 | C8 | N3 | 0.6° | 0.3° |
| C6 | C9 | C8 | N5 | 178.9° | 179.9° |
| C6 | C9 | N4 | C10 | 179.9° | 179.9° |
| C9 | C6 | N1 | H11 | 43.7° | 0.1° |
| C7 | N3 | C8 | C9 | 0.5° | 0.5° |
| C7 | N3 | C8 | N5 | 178.6° | 180.0° |
| N3 | C7 | N6 | H61 | 30.7° | 0.0° |
| C9 | C8 | N3 | N5 | 178.0° | 179.5° |
| C8 | C9 | N4 | C10 | 0.4° | 0.2° |
| C9 | C8 | N5 | C10 | 1.7° | 0.4° |
| C9 | C8 | N5 | C11 | 179.0° | 179.6° |
| N4 | C9 | C8 | N3 | 179.7° | 180.0° |
| N4 | C9 | C8 | N5 | 1.3° | 0.4° |
| C9 | N4 | C10 | N5 | 0.7° | 0.0° |
| C9 | N4 | C10 | H101 | 179.3° | 179.7° |
| N3 | C8 | N5 | C10 | 180.0° | 180.0° |
| N3 | C8 | N5 | C11 | 2.6° | 0.1° |
| C8 | N5 | C10 | N4 | 1.5° | 0.3° |
| C8 | N5 | C10 | C11 | 177.5° | 180.0° |
| C8 | N5 | C11 | C13 | 54.8° | 120.0° |
| C8 | N5 | C11 | C12 | 73.3° | 120.0° |
| C8 | N5 | C10 | H101 | 178.4° | 180.0° |
| C8 | N5 | C11 | H111 | 170.6° | 0.0° |
| N4 | C10 | N5 | H101 | 180.0° | 179.7° |
| N4 | C10 | N5 | C11 | 179.0° | 179.8° |
| C10 | N5 | C11 | C13 | 122.1° | 60.1° |
| C10 | N5 | C11 | C12 | 109.8° | 60.0° |
| C10 | N5 | C11 | H111 | 6.3° | 180.0° |
| N5 | C11 | C13 | C12 | 127.0° | 120.1° |
| N5 | C11 | C13 | H111 | 116.1° | 120.0° |
| N5 | C11 | C12 | H111 | 116.4° | 120.0° |
| C11 | N5 | C10 | H101 | 0.9° | 0.0° |
| N5 | C11 | C13 | H132 | 180.0° | 180.0° |
| N5 | C11 | C13 | H131 | 60.0° | 60.0° |
| N5 | C11 | C13 | H133 | 60.0° | 60.0° |
| N5 | C11 | C12 | H122 | 180.0° | 60.0° |
| N5 | C11 | C12 | H123 | 60.0° | 60.0° |
| N5 | C11 | C12 | H121 | 60.0° | 180.0° |
| C13 | C11 | C12 | H111 | 116.9° | 119.9° |
| C11 | C13 | H132 | H131 | 120.0° | 120.0° |
| C11 | C13 | H132 | H133 | 120.0° | 120.0° |
| C11 | C13 | H131 | H133 | 120.0° | 119.9° |
| C13 | C11 | C12 | H122 | 53.3° | 60.1° |
| C13 | C11 | C12 | H123 | 66.7° | 180.0° |
| C13 | C11 | C12 | H121 | 173.3° | 60.0° |
| C12 | C11 | C13 | H132 | 53.0° | 60.0° |
| C12 | C11 | C13 | H131 | 173.0° | 180.0° |
| C12 | C11 | C13 | H133 | 67.0° | 60.1° |
| C11 | C12 | H122 | H123 | 120.0° | 120.0° |
| C11 | C12 | H122 | H121 | 120.0° | 120.0° |
| C11 | C12 | H123 | H121 | 120.0° | 120.0° |
| H132 | C13 | H131 | H133 | 120.0° | 120.0° |
| H132 | C13 | C11 | H111 | 63.9° | 60.0° |
| H131 | C13 | C11 | H111 | 56.1° | 60.0° |
| H133 | C13 | C11 | H111 | 176.1° | 180.0° |
| H151 | C15 | C14 | H141 | 42.1° | 55.0° |
| H151 | C15 | O1 | H12 | 59.9° | 60.0° |
| H152 | C15 | C14 | H141 | 77.5° | 65.0° |
| H152 | C15 | O1 | H12 | 59.8° | 60.0° |
| H172 | C17 | H173 | H171 | 120.0° | 120.0° |
| H172 | C17 | C16 | H161 | 59.3° | 60.1° |
| H172 | C17 | C16 | H162 | 59.2° | 179.9° |
| H173 | C17 | C16 | H161 | 179.3° | 180.0° |
| H173 | C17 | C16 | H162 | 60.8° | 60.0° |
| H171 | C17 | C16 | H161 | 60.8° | 60.0° |
| H171 | C17 | C16 | H162 | 179.3° | 60.0° |
| H201 | C20 | C21 | H211 | 0.3° | 0.3° |
| H211 | C21 | C22 | H221 | 0.3° | 0.0° |
| H111 | C11 | C12 | H122 | 63.6° | 180.0° |
| H111 | C11 | C12 | H123 | 176.4° | 60.1° |
| H111 | C11 | C12 | H121 | 56.4° | 60.0° |
| H122 | C12 | H123 | H121 | 120.0° | 120.0° |
| H141 | C14 | C16 | H161 | 47.8° | 175.0° |
| H141 | C14 | C16 | H162 | 166.3° | 65.0° |
| H141 | C14 | N6 | H61 | 112.1° | 144.9° |
| H181 | C18 | C19 | H191 | 0.1° | 0.1° |
| H221 | C22 | C23 | H231 | 0.1° | 0.1° |
| H52 | C5 | N1 | H11 | 98.6° | 120.0° |
| H51 | C5 | N1 | H11 | 20.5° | 119.9° |
