4JX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | doub | 1.22Å | 1.23Å | |
| O24 | C21 | sing | 1.43Å | 1.44Å | |
| C23 | C21 | sing | 1.53Å | 1.53Å | |
| C23 | C15 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | N13 | sing | 1.46Å | 1.45Å | |
| C14 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C11 | N13 | sing | 1.35Å | 1.35Å | |
| C11 | C8 | sing | 1.47Å | 1.50Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.41Å | 1.40Å | Aromatic |
| C9 | N10 | doub | 1.31Å | 1.34Å | Aromatic |
| C8 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| C22 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N10 | N5 | sing | 1.40Å | 1.36Å | Aromatic |
| C6 | N7 | sing | 1.33Å | 1.34Å | Aromatic |
| C6 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| N7 | C2 | doub | 1.31Å | 1.35Å | Aromatic |
| N5 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.37Å | Aromatic |
| C4 | C25 | sing | 1.51Å | 1.49Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| N13 | H1 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| O24 | H24 | sing | 0.97Å | 0.95Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | N13 | 122.5° | 120.1° |
| O12 | C11 | C8 | 120.6° | 119.9° |
| O24 | C21 | C23 | 111.8° | 109.5° |
| O24 | C21 | C20 | 107.8° | 109.5° |
| O24 | C21 | C22 | 109.0° | 109.5° |
| C21 | O24 | H24 | 109.5° | 114.0° |
| C21 | C23 | C15 | 109.9° | 109.5° |
| C23 | C21 | C20 | 110.5° | 109.5° |
| C23 | C21 | C22 | 108.6° | 109.4° |
| C21 | C23 | H232 | 109.4° | 109.5° |
| C21 | C23 | H231 | 109.4° | 109.5° |
| C23 | C15 | C14 | 108.6° | 109.5° |
| C23 | C15 | C16 | 109.1° | 109.5° |
| C23 | C15 | H15 | 109.8° | 109.5° |
| C15 | C23 | H232 | 109.3° | 109.5° |
| C15 | C23 | H231 | 109.3° | 109.5° |
| C21 | C20 | C19 | 109.9° | 109.5° |
| C20 | C21 | C22 | 109.1° | 109.4° |
| C21 | C20 | H201 | 109.3° | 109.5° |
| C21 | C20 | H202 | 109.4° | 109.5° |
| C20 | C19 | C14 | 108.8° | 109.5° |
| C20 | C19 | C18 | 109.1° | 109.5° |
| C20 | C19 | H19 | 109.9° | 109.5° |
| C19 | C20 | H201 | 109.3° | 109.5° |
| C19 | C20 | H202 | 109.4° | 109.5° |
| C15 | C14 | N13 | 112.9° | 109.5° |
| C15 | C14 | C19 | 110.8° | 109.5° |
| C14 | C15 | C16 | 109.5° | 109.4° |
| C15 | C14 | H14 | 106.6° | 109.4° |
| C14 | C15 | H15 | 109.8° | 109.5° |
| N13 | C14 | C19 | 112.1° | 109.5° |
| C14 | N13 | C11 | 121.7° | 120.0° |
| N13 | C14 | H14 | 107.5° | 109.5° |
| C14 | N13 | H1 | 119.2° | 120.0° |
| C14 | C19 | C18 | 109.2° | 109.4° |
| C19 | C14 | H14 | 106.6° | 109.5° |
| C14 | C19 | H19 | 109.9° | 109.5° |
| C21 | C22 | C17 | 109.7° | 109.5° |
| C21 | C22 | H222 | 109.4° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.4° |
| C15 | C16 | C17 | 109.6° | 109.5° |
| C16 | C15 | H15 | 109.9° | 109.5° |
| C15 | C16 | H162 | 109.4° | 109.4° |
| C15 | C16 | H161 | 109.4° | 109.5° |
| N13 | C11 | C8 | 116.9° | 120.0° |
| C11 | N13 | H1 | 119.1° | 120.1° |
| C11 | C8 | C9 | 123.5° | 126.5° |
| C11 | C8 | C6 | 132.1° | 126.6° |
| C19 | C18 | C17 | 109.8° | 109.5° |
| C18 | C19 | H19 | 109.9° | 109.4° |
| C19 | C18 | H182 | 109.4° | 109.5° |
| C19 | C18 | H181 | 109.4° | 109.5° |
| C8 | C9 | N10 | 114.0° | 108.7° |
| C9 | C8 | C6 | 104.3° | 106.9° |
| C8 | C9 | H9 | 123.0° | 125.7° |
| C9 | N10 | N5 | 103.0° | 109.5° |
| N10 | C9 | H9 | 123.0° | 125.6° |
| C8 | C6 | N7 | 130.8° | 132.5° |
| C8 | C6 | N5 | 105.2° | 106.7° |
| C22 | C17 | C16 | 109.2° | 109.5° |
| C22 | C17 | C18 | 109.3° | 109.5° |
| C17 | C22 | H222 | 109.4° | 109.5° |
| C17 | C22 | H221 | 109.4° | 109.5° |
| C22 | C17 | H17 | 109.5° | 109.5° |
| C16 | C17 | C18 | 109.8° | 109.5° |
| C17 | C16 | H162 | 109.4° | 109.5° |
| C17 | C16 | H161 | 109.4° | 109.5° |
| C16 | C17 | H17 | 109.6° | 109.5° |
| N10 | N5 | C6 | 113.6° | 108.1° |
| N10 | N5 | C4 | 126.8° | 132.1° |
| N7 | C6 | N5 | 123.7° | 120.8° |
| C6 | N7 | C2 | 116.9° | 120.9° |
| C6 | N5 | C4 | 119.5° | 119.8° |
| C18 | C17 | H17 | 109.5° | 109.4° |
| C17 | C18 | H182 | 109.4° | 109.4° |
| C17 | C18 | H181 | 109.3° | 109.4° |
| N7 | C2 | C1 | 116.7° | 120.0° |
| N7 | C2 | C3 | 121.5° | 120.1° |
| N5 | C4 | C3 | 116.6° | 119.1° |
| N5 | C4 | C25 | 121.3° | 120.4° |
| C1 | C2 | C3 | 121.8° | 119.9° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C3 | C4 | 121.8° | 119.4° |
| C2 | C3 | H3 | 119.1° | 120.3° |
| C3 | C4 | C25 | 122.1° | 120.4° |
| C4 | C3 | H3 | 119.1° | 120.3° |
| C4 | C25 | H251 | 109.5° | 109.5° |
| C4 | C25 | H252 | 109.5° | 109.5° |
| C4 | C25 | H253 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H12 | C1 | H11 | 109.4° | 109.5° |
| H13 | C1 | H11 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | N13 | C14 | 16.5° | 0.0° |
| O12 | C11 | N13 | C8 | 180.0° | 179.9° |
| O12 | C11 | C8 | C9 | 9.1° | 179.7° |
| O12 | C11 | C8 | C6 | 166.2° | 0.0° |
| O12 | C11 | N13 | H1 | 163.5° | 180.0° |
| O24 | C21 | C23 | C20 | 120.1° | 120.0° |
| O24 | C21 | C23 | C22 | 120.3° | 120.0° |
| O24 | C21 | C23 | C15 | 179.0° | 180.0° |
| O24 | C21 | C20 | C22 | 118.3° | 120.0° |
| O24 | C21 | C20 | C19 | 178.7° | 180.0° |
| O24 | C21 | C22 | C17 | 177.5° | 180.0° |
| O24 | C21 | C20 | H201 | 61.3° | 60.0° |
| O24 | C21 | C20 | H202 | 58.6° | 60.0° |
| O24 | C21 | C22 | H222 | 57.4° | 60.0° |
| O24 | C21 | C22 | H221 | 62.5° | 60.0° |
| O24 | C21 | C23 | H232 | 61.0° | 60.0° |
| O24 | C21 | C23 | H231 | 58.9° | 60.0° |
| C21 | C23 | C15 | H232 | 120.1° | 120.0° |
| C21 | C23 | C15 | H231 | 120.1° | 120.1° |
| C23 | C21 | C20 | C22 | 119.2° | 119.9° |
| C23 | C21 | C20 | C19 | 58.8° | 59.9° |
| C21 | C23 | C15 | C14 | 58.8° | 60.0° |
| C21 | C23 | C15 | C16 | 60.5° | 60.0° |
| C23 | C21 | C22 | C17 | 60.5° | 60.0° |
| C21 | C23 | C15 | H15 | 178.9° | 180.0° |
| C23 | C21 | C20 | H201 | 61.2° | 180.0° |
| C23 | C21 | C20 | H202 | 178.9° | 60.1° |
| C23 | C21 | C22 | H222 | 179.5° | 180.0° |
| C23 | C21 | C22 | H221 | 59.5° | 60.0° |
| C21 | C23 | H232 | H231 | 119.8° | 120.0° |
| C23 | C21 | O24 | H24 | 180.0° | 60.0° |
| C15 | C23 | C21 | C20 | 58.9° | 59.9° |
| C23 | C15 | C14 | C16 | 119.0° | 120.0° |
| C23 | C15 | C14 | H15 | 120.1° | 120.0° |
| C23 | C15 | C14 | N13 | 173.0° | 180.0° |
| C23 | C15 | C14 | C19 | 60.3° | 59.9° |
| C15 | C23 | C21 | C22 | 60.7° | 60.0° |
| C23 | C15 | C16 | H15 | 120.5° | 120.0° |
| C23 | C15 | C16 | C17 | 59.8° | 60.0° |
| C23 | C15 | C14 | H14 | 55.3° | 60.0° |
| C23 | C15 | C16 | H162 | 60.2° | 60.0° |
| C23 | C15 | C16 | H161 | 179.9° | 180.0° |
| C15 | C23 | H232 | H231 | 119.8° | 120.0° |
| C21 | C20 | C19 | H201 | 120.0° | 120.0° |
| C21 | C20 | C19 | H202 | 120.1° | 120.0° |
| C21 | C20 | C19 | C14 | 58.7° | 60.0° |
| C21 | C20 | C19 | C18 | 60.3° | 60.0° |
| C20 | C21 | C22 | C17 | 60.0° | 60.0° |
| C21 | C20 | C19 | H19 | 179.1° | 180.0° |
| C21 | C20 | H201 | H202 | 119.8° | 120.0° |
| C20 | C21 | C22 | H222 | 60.1° | 60.0° |
| C20 | C21 | C22 | H221 | 180.0° | 180.0° |
| C20 | C21 | C23 | H232 | 178.9° | 60.1° |
| C20 | C21 | C23 | H231 | 61.2° | 180.0° |
| C20 | C21 | O24 | H24 | 58.4° | 180.0° |
| C20 | C19 | C14 | C15 | 60.3° | 59.9° |
| C20 | C19 | C14 | N13 | 172.6° | 180.0° |
| C20 | C19 | C14 | C18 | 119.0° | 120.0° |
| C20 | C19 | C14 | H19 | 120.4° | 120.1° |
| C19 | C20 | C21 | C22 | 60.4° | 60.0° |
| C20 | C19 | C18 | H19 | 120.6° | 120.0° |
| C20 | C19 | C18 | C17 | 59.8° | 60.0° |
| C20 | C19 | C14 | H14 | 55.3° | 60.0° |
| C19 | C20 | H201 | H202 | 119.8° | 120.0° |
| C20 | C19 | C18 | H182 | 179.9° | 180.0° |
| C20 | C19 | C18 | H181 | 60.2° | 60.0° |
| C15 | C14 | N13 | C19 | 126.0° | 120.0° |
| C15 | C14 | N13 | H14 | 117.2° | 120.0° |
| C15 | C14 | C19 | H14 | 115.6° | 119.9° |
| C14 | C15 | C16 | H15 | 120.7° | 120.0° |
| C15 | C14 | N13 | C11 | 169.5° | 155.0° |
| C15 | C14 | C19 | C18 | 58.7° | 60.1° |
| C14 | C15 | C16 | C17 | 58.9° | 60.0° |
| C14 | C15 | C16 | H162 | 178.9° | 180.0° |
| C14 | C15 | C16 | H161 | 61.1° | 60.0° |
| C15 | C14 | C19 | H19 | 179.3° | 180.0° |
| C15 | C14 | N13 | H1 | 10.5° | 25.0° |
| C14 | C15 | C23 | H232 | 178.8° | 60.0° |
| C14 | C15 | C23 | H231 | 61.3° | 180.0° |
| N13 | C14 | C19 | H14 | 117.3° | 120.0° |
| N13 | C14 | C15 | C16 | 67.9° | 60.0° |
| C14 | N13 | C11 | H1 | 180.0° | 180.0° |
| C14 | N13 | C11 | C8 | 163.5° | 180.0° |
| N13 | C14 | C19 | C18 | 68.4° | 60.0° |
| N13 | C14 | C15 | H15 | 52.9° | 60.0° |
| N13 | C14 | C19 | H19 | 52.2° | 60.0° |
| C19 | C14 | C15 | C16 | 58.8° | 60.1° |
| C19 | C14 | N13 | C11 | 64.5° | 85.0° |
| C14 | C19 | C18 | H19 | 120.6° | 120.0° |
| C14 | C19 | C18 | C17 | 58.9° | 60.0° |
| C19 | C14 | C15 | H15 | 179.6° | 180.0° |
| C14 | C19 | C20 | H201 | 61.3° | 180.0° |
| C14 | C19 | C20 | H202 | 178.8° | 60.0° |
| C19 | C14 | N13 | H1 | 115.5° | 95.0° |
| C14 | C19 | C18 | H182 | 61.1° | 60.0° |
| C14 | C19 | C18 | H181 | 179.0° | 180.0° |
| C21 | C22 | C17 | H222 | 120.0° | 120.0° |
| C21 | C22 | C17 | H221 | 120.0° | 120.0° |
| C21 | C22 | C17 | C16 | 60.4° | 60.0° |
| C21 | C22 | C17 | C18 | 59.7° | 60.0° |
| C22 | C21 | C20 | H201 | 179.5° | 60.0° |
| C22 | C21 | C20 | H202 | 59.6° | 180.0° |
| C21 | C22 | H222 | H221 | 119.9° | 120.0° |
| C21 | C22 | C17 | H17 | 179.7° | 179.9° |
| C22 | C21 | C23 | H232 | 59.3° | 180.0° |
| C22 | C21 | C23 | H231 | 179.2° | 60.0° |
| C22 | C21 | O24 | H24 | 60.0° | 60.0° |
| C15 | C16 | C17 | C22 | 59.8° | 60.0° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | C17 | H161 | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 59.9° | 60.0° |
| C16 | C15 | C14 | H14 | 174.3° | 180.0° |
| C15 | C16 | H162 | H161 | 119.9° | 120.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C16 | C15 | C23 | H232 | 59.5° | 180.0° |
| C16 | C15 | C23 | H231 | 179.4° | 60.0° |
| N13 | C11 | C8 | C9 | 170.9° | 0.3° |
| N13 | C11 | C8 | C6 | 13.8° | 180.0° |
| C11 | N13 | C14 | H14 | 52.3° | 35.0° |
| C11 | C8 | C9 | C6 | 176.4° | 179.8° |
| C11 | C8 | C9 | N10 | 175.7° | 179.5° |
| C11 | C8 | C6 | N7 | 0.0° | 0.0° |
| C11 | C8 | C6 | N5 | 174.8° | 179.5° |
| C11 | C8 | C9 | H9 | 4.3° | 0.2° |
| C8 | C11 | N13 | H1 | 16.5° | 0.1° |
| C19 | C18 | C17 | C22 | 59.6° | 60.0° |
| C19 | C18 | C17 | C16 | 60.1° | 60.0° |
| C19 | C18 | C17 | H182 | 120.1° | 120.1° |
| C19 | C18 | C17 | H181 | 120.1° | 120.0° |
| C18 | C19 | C14 | H14 | 174.2° | 180.0° |
| C18 | C19 | C20 | H201 | 179.6° | 60.0° |
| C18 | C19 | C20 | H202 | 59.8° | 180.0° |
| C19 | C18 | C17 | H17 | 179.6° | 180.0° |
| C19 | C18 | H182 | H181 | 119.9° | 120.0° |
| C8 | C9 | N10 | H9 | 180.0° | 179.7° |
| C8 | C9 | N10 | N5 | 0.2° | 0.2° |
| C9 | C8 | C6 | N7 | 175.9° | 179.7° |
| C9 | C8 | C6 | N5 | 1.2° | 0.2° |
| N10 | C9 | C8 | C6 | 0.7° | 0.2° |
| C9 | N10 | N5 | C6 | 1.0° | 0.0° |
| C9 | N10 | N5 | C4 | 173.7° | 180.0° |
| C8 | C6 | N5 | N10 | 1.4° | 0.1° |
| C8 | C6 | N7 | N5 | 174.0° | 179.5° |
| C8 | C6 | N7 | C2 | 169.9° | 179.9° |
| C8 | C6 | N5 | C4 | 173.7° | 179.9° |
| C6 | C8 | C9 | H9 | 179.3° | 180.0° |
| C22 | C17 | C16 | C18 | 119.7° | 120.0° |
| C22 | C17 | C16 | H17 | 119.9° | 120.0° |
| C22 | C17 | C18 | H17 | 119.9° | 120.0° |
| C22 | C17 | C16 | H162 | 60.2° | 60.0° |
| C22 | C17 | C16 | H161 | 179.8° | 180.0° |
| C17 | C22 | H222 | H221 | 119.9° | 120.0° |
| C22 | C17 | C18 | H182 | 179.7° | 180.0° |
| C22 | C17 | C18 | H181 | 60.4° | 60.0° |
| C16 | C17 | C18 | H17 | 120.3° | 120.0° |
| C17 | C16 | C15 | H15 | 179.7° | 180.0° |
| C17 | C16 | H162 | H161 | 119.9° | 120.0° |
| C16 | C17 | C22 | H222 | 179.6° | 180.0° |
| C16 | C17 | C22 | H221 | 59.7° | 60.0° |
| C16 | C17 | C18 | H182 | 60.0° | 60.0° |
| C16 | C17 | C18 | H181 | 179.8° | 180.0° |
| N10 | N5 | C6 | N7 | 176.6° | 179.7° |
| N10 | N5 | C6 | C4 | 175.1° | 180.0° |
| N10 | N5 | C4 | C3 | 172.1° | 180.0° |
| N10 | N5 | C4 | C25 | 10.7° | 0.0° |
| N5 | N10 | C9 | H9 | 179.9° | 179.9° |
| N7 | C6 | N5 | C4 | 1.5° | 0.3° |
| C6 | N7 | C2 | C1 | 175.5° | 179.7° |
| C6 | N7 | C2 | C3 | 2.7° | 0.6° |
| N5 | C6 | N7 | C2 | 4.1° | 0.6° |
| C6 | N5 | C4 | C3 | 2.3° | 0.0° |
| C6 | N5 | C4 | C25 | 174.9° | 180.0° |
| C18 | C17 | C16 | H162 | 179.9° | 180.0° |
| C18 | C17 | C16 | H161 | 60.1° | 60.0° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C18 | C17 | C22 | H222 | 60.4° | 60.0° |
| C18 | C17 | C22 | H221 | 179.7° | 180.0° |
| C17 | C18 | H182 | H181 | 119.8° | 120.0° |
| N7 | C2 | C1 | C3 | 178.2° | 179.7° |
| N7 | C2 | C3 | C4 | 1.1° | 0.3° |
| N7 | C2 | C1 | H12 | 0.0° | 90.3° |
| N7 | C2 | C1 | H13 | 120.0° | 29.7° |
| N7 | C2 | C1 | H11 | 120.0° | 149.7° |
| N7 | C2 | C3 | H3 | 178.9° | 179.7° |
| N5 | C4 | C3 | C2 | 3.6° | 0.0° |
| N5 | C4 | C3 | C25 | 177.2° | 180.0° |
| N5 | C4 | C3 | H3 | 176.4° | 180.0° |
| N5 | C4 | C25 | H251 | 88.5° | 180.0° |
| N5 | C4 | C25 | H252 | 151.4° | 60.1° |
| N5 | C4 | C25 | H253 | 31.5° | 60.0° |
| C1 | C2 | C3 | C4 | 179.3° | 180.0° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H11 | 120.0° | 120.1° |
| C2 | C1 | H13 | H11 | 120.0° | 120.0° |
| C1 | C2 | C3 | H3 | 0.7° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C25 | 173.6° | 180.0° |
| C3 | C2 | C1 | H12 | 178.3° | 90.1° |
| C3 | C2 | C1 | H13 | 58.2° | 150.0° |
| C3 | C2 | C1 | H11 | 61.8° | 30.0° |
| C3 | C4 | C25 | H251 | 88.5° | 0.0° |
| C3 | C4 | C25 | H252 | 31.5° | 119.9° |
| C3 | C4 | C25 | H253 | 151.5° | 120.0° |
| C25 | C4 | C3 | H3 | 6.4° | 0.0° |
| C4 | C25 | H251 | H252 | 120.0° | 120.0° |
| C4 | C25 | H251 | H253 | 120.0° | 120.0° |
| C4 | C25 | H252 | H253 | 120.0° | 120.0° |
| H12 | C1 | H13 | H11 | 120.0° | 120.0° |
| H14 | C14 | C15 | H15 | 64.8° | 60.0° |
| H14 | C14 | C19 | H19 | 65.1° | 60.1° |
| H14 | C14 | N13 | H1 | 127.7° | 145.0° |
| H15 | C15 | C16 | H162 | 60.3° | 60.0° |
| H15 | C15 | C16 | H161 | 59.6° | 60.0° |
| H15 | C15 | C23 | H232 | 61.0° | 60.0° |
| H15 | C15 | C23 | H231 | 58.8° | 59.9° |
| H162 | C16 | C17 | H17 | 59.7° | 60.0° |
| H161 | C16 | C17 | H17 | 60.2° | 60.0° |
| H19 | C19 | C20 | H201 | 59.0° | 59.9° |
| H19 | C19 | C20 | H202 | 60.9° | 60.0° |
| H19 | C19 | C18 | H182 | 59.5° | 60.0° |
| H19 | C19 | C18 | H181 | 60.5° | 60.0° |
| H222 | C22 | C17 | H17 | 59.6° | 60.0° |
| H221 | C22 | C17 | H17 | 60.3° | 60.1° |
| H17 | C17 | C18 | H182 | 60.4° | 60.0° |
| H17 | C17 | C18 | H181 | 59.5° | 60.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
