IH4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C26 | doub | 1.21Å | 1.23Å | |
| C26 | O28 | sing | 1.34Å | 1.37Å | |
| C26 | C25 | sing | 1.51Å | 1.53Å | |
| O28 | C29 | sing | 1.45Å | 1.44Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.12Å | |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.11Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C24 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C21 | C20 | sing | 1.48Å | 1.46Å | Aromatic |
| C20 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C19 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | N3 | sing | 1.47Å | 1.46Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| N3 | C2 | sing | 1.35Å | 1.44Å | |
| N3 | C4 | sing | 1.46Å | 1.46Å | |
| C2 | C34 | sing | 1.48Å | 1.52Å | |
| C2 | O1 | doub | 1.22Å | 1.25Å | |
| C34 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C34 | C44 | sing | 1.39Å | 1.38Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | C37 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | C43 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C43 | C44 | doub | 1.38Å | 1.39Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.10Å | |
| C44 | H44 | sing | 1.08Å | 1.10Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.11Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.12Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H423 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C4 | C15 | sing | 1.53Å | 1.51Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H5C1 | sing | 1.09Å | 1.12Å | |
| C5 | H5C2 | sing | 1.09Å | 1.12Å | |
| C6 | N7 | sing | 1.47Å | 1.49Å | |
| C6 | H6C1 | sing | 1.09Å | 1.11Å | |
| C6 | H6C2 | sing | 1.09Å | 1.11Å | |
| N7 | C14 | sing | 1.47Å | 1.48Å | |
| N7 | C8 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | H8C1 | sing | 1.09Å | 1.12Å | |
| C8 | H8C2 | sing | 1.09Å | 1.12Å | |
| C9 | N10 | sing | 1.35Å | 1.37Å | Aromatic |
| C9 | N13 | doub | 1.31Å | 1.36Å | Aromatic |
| N10 | C11 | sing | 1.37Å | 1.37Å | Aromatic |
| N10 | H10 | sing | 0.97Å | 1.02Å | |
| C11 | C12 | doub | 1.35Å | 1.35Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C12 | N13 | sing | 1.34Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C26 | O28 | 119.4° | 120.0° |
| O27 | C26 | C25 | 119.9° | 119.9° |
| O28 | C26 | C25 | 120.1° | 120.0° |
| C26 | O28 | C29 | 112.4° | 120.0° |
| C26 | C25 | C24 | 115.2° | 109.5° |
| C26 | C25 | H251 | 110.1° | 109.4° |
| C26 | C25 | H252 | 110.1° | 109.5° |
| O28 | C29 | H291 | 112.4° | 109.5° |
| O28 | C29 | H292 | 111.1° | 109.5° |
| O28 | C29 | H293 | 111.1° | 109.5° |
| H291 | C29 | H292 | 111.1° | 109.5° |
| H291 | C29 | H293 | 111.1° | 109.4° |
| H292 | C29 | H293 | 99.3° | 109.5° |
| C24 | C25 | H251 | 110.1° | 109.5° |
| C24 | C25 | H252 | 110.1° | 109.5° |
| C25 | C24 | C30 | 120.6° | 119.8° |
| C25 | C24 | C23 | 120.6° | 119.9° |
| H251 | C25 | H252 | 100.1° | 109.4° |
| C30 | C24 | C23 | 118.8° | 120.3° |
| C24 | C30 | C31 | 119.3° | 120.1° |
| C24 | C30 | H30 | 120.4° | 120.0° |
| C24 | C23 | C22 | 120.9° | 120.1° |
| C24 | C23 | H23 | 119.5° | 119.9° |
| C31 | C30 | H30 | 120.4° | 119.9° |
| C30 | C31 | C21 | 122.8° | 119.9° |
| C30 | C31 | H31 | 118.6° | 120.1° |
| C21 | C31 | H31 | 118.6° | 120.1° |
| C31 | C21 | C22 | 117.0° | 119.8° |
| C31 | C21 | C20 | 121.0° | 120.1° |
| C22 | C23 | H23 | 119.6° | 120.0° |
| C23 | C22 | C21 | 121.1° | 119.9° |
| C23 | C22 | H22 | 119.4° | 120.1° |
| C21 | C22 | H22 | 119.4° | 120.0° |
| C22 | C21 | C20 | 121.9° | 120.1° |
| C21 | C20 | C32 | 120.7° | 120.1° |
| C21 | C20 | C19 | 121.9° | 120.1° |
| C32 | C20 | C19 | 117.3° | 119.8° |
| C20 | C32 | C33 | 121.1° | 119.9° |
| C20 | C32 | H32 | 119.5° | 120.1° |
| C20 | C19 | C18 | 122.3° | 119.8° |
| C20 | C19 | H19 | 118.9° | 120.1° |
| C33 | C32 | H32 | 119.4° | 120.1° |
| C32 | C33 | C17 | 121.3° | 120.2° |
| C32 | C33 | H33 | 119.4° | 119.9° |
| C17 | C33 | H33 | 119.3° | 119.9° |
| C33 | C17 | C18 | 118.6° | 120.2° |
| C33 | C17 | C16 | 118.7° | 120.0° |
| C18 | C19 | H19 | 118.9° | 120.1° |
| C19 | C18 | C17 | 119.4° | 120.2° |
| C19 | C18 | H18 | 120.3° | 119.9° |
| C17 | C18 | H18 | 120.3° | 119.9° |
| C18 | C17 | C16 | 122.7° | 119.9° |
| C17 | C16 | N3 | 110.3° | 109.4° |
| C17 | C16 | H161 | 111.9° | 109.4° |
| C17 | C16 | H162 | 111.9° | 109.5° |
| N3 | C16 | H161 | 111.9° | 109.5° |
| N3 | C16 | H162 | 111.9° | 109.5° |
| C16 | N3 | C2 | 119.6° | 119.9° |
| C16 | N3 | C4 | 123.9° | 120.0° |
| H161 | C16 | H162 | 98.5° | 109.5° |
| C2 | N3 | C4 | 116.3° | 120.0° |
| N3 | C2 | C34 | 119.5° | 120.0° |
| N3 | C2 | O1 | 121.1° | 120.0° |
| N3 | C4 | C5 | 109.3° | 109.6° |
| N3 | C4 | C15 | 110.9° | 109.6° |
| N3 | C4 | H4 | 109.0° | 109.6° |
| C34 | C2 | O1 | 119.4° | 120.0° |
| C2 | C34 | C35 | 121.4° | 120.1° |
| C2 | C34 | C44 | 117.6° | 120.1° |
| C35 | C34 | C44 | 120.6° | 119.7° |
| C34 | C35 | C36 | 119.3° | 119.9° |
| C34 | C35 | H35 | 120.3° | 120.1° |
| C34 | C44 | C43 | 120.1° | 119.8° |
| C34 | C44 | H44 | 120.0° | 120.2° |
| C36 | C35 | H35 | 120.3° | 120.0° |
| C35 | C36 | C37 | 120.4° | 120.1° |
| C35 | C36 | H36 | 119.8° | 120.0° |
| C37 | C36 | H36 | 119.8° | 119.9° |
| C36 | C37 | C43 | 119.9° | 120.3° |
| C36 | C37 | C38 | 121.0° | 119.8° |
| C43 | C37 | C38 | 119.0° | 119.9° |
| C37 | C43 | C44 | 119.7° | 120.1° |
| C37 | C43 | H43 | 120.2° | 119.9° |
| C37 | C38 | C39 | 111.7° | 109.5° |
| C37 | C38 | H381 | 111.4° | 109.5° |
| C37 | C38 | H382 | 111.4° | 109.5° |
| C44 | C43 | H43 | 120.2° | 119.9° |
| C43 | C44 | H44 | 120.0° | 120.0° |
| C39 | C38 | H381 | 111.4° | 109.4° |
| C39 | C38 | H382 | 111.4° | 109.5° |
| C38 | C39 | C40 | 112.2° | 109.5° |
| C38 | C39 | H391 | 111.2° | 109.4° |
| C38 | C39 | H392 | 111.2° | 109.5° |
| H381 | C38 | H382 | 98.9° | 109.4° |
| C40 | C39 | H391 | 111.2° | 109.4° |
| C40 | C39 | H392 | 111.2° | 109.5° |
| C39 | C40 | C41 | 111.2° | 109.5° |
| C39 | C40 | H401 | 111.6° | 109.4° |
| C39 | C40 | H402 | 111.6° | 109.5° |
| H391 | C39 | H392 | 99.1° | 109.4° |
| C41 | C40 | H401 | 111.6° | 109.5° |
| C41 | C40 | H402 | 111.6° | 109.5° |
| C40 | C41 | C42 | 112.2° | 109.4° |
| C40 | C41 | H411 | 111.2° | 109.5° |
| C40 | C41 | H412 | 111.2° | 109.5° |
| H401 | C40 | H402 | 98.8° | 109.4° |
| C42 | C41 | H411 | 111.2° | 109.5° |
| C42 | C41 | H412 | 111.2° | 109.5° |
| C41 | C42 | H421 | 112.2° | 109.5° |
| C41 | C42 | H422 | 111.2° | 109.5° |
| C41 | C42 | H423 | 111.2° | 109.5° |
| H411 | C41 | H412 | 99.2° | 109.5° |
| H421 | C42 | H422 | 111.2° | 109.5° |
| H421 | C42 | H423 | 111.2° | 109.5° |
| H422 | C42 | H423 | 99.1° | 109.4° |
| C5 | C4 | C15 | 109.6° | 108.9° |
| C5 | C4 | H4 | 109.0° | 109.5° |
| C4 | C5 | C6 | 107.1° | 109.3° |
| C4 | C5 | H5C1 | 113.1° | 109.6° |
| C4 | C5 | H5C2 | 113.1° | 109.5° |
| C15 | C4 | H4 | 109.0° | 109.7° |
| C4 | C15 | C14 | 105.7° | 109.2° |
| C4 | C15 | H151 | 113.6° | 109.5° |
| C4 | C15 | H152 | 113.6° | 109.5° |
| C6 | C5 | H5C1 | 113.1° | 109.5° |
| C6 | C5 | H5C2 | 113.1° | 109.5° |
| C5 | C6 | N7 | 110.4° | 109.8° |
| C5 | C6 | H6C1 | 111.9° | 109.4° |
| C5 | C6 | H6C2 | 111.9° | 109.4° |
| H5C1 | C5 | H5C2 | 97.4° | 109.5° |
| N7 | C6 | H6C1 | 111.9° | 109.4° |
| N7 | C6 | H6C2 | 111.8° | 109.5° |
| C6 | N7 | C14 | 113.5° | 107.4° |
| C6 | N7 | C8 | 111.0° | 106.7° |
| H6C1 | C6 | H6C2 | 98.5° | 109.3° |
| C14 | N7 | C8 | 101.0° | 106.7° |
| N7 | C14 | C15 | 110.5° | 109.8° |
| N7 | C14 | H141 | 111.8° | 109.4° |
| N7 | C14 | H142 | 111.8° | 109.4° |
| N7 | C8 | C9 | 109.3° | 109.5° |
| N7 | C8 | H8C1 | 112.3° | 109.5° |
| N7 | C8 | H8C2 | 112.2° | 109.5° |
| C15 | C14 | H141 | 111.8° | 109.4° |
| C15 | C14 | H142 | 111.8° | 109.5° |
| C14 | C15 | H151 | 113.6° | 109.5° |
| C14 | C15 | H152 | 113.6° | 109.5° |
| H141 | C14 | H142 | 98.6° | 109.3° |
| H151 | C15 | H152 | 96.8° | 109.6° |
| C9 | C8 | H8C1 | 112.2° | 109.5° |
| C9 | C8 | H8C2 | 112.3° | 109.5° |
| C8 | C9 | N10 | 120.1° | 125.7° |
| C8 | C9 | N13 | 130.3° | 125.6° |
| H8C1 | C8 | H8C2 | 98.2° | 109.4° |
| N10 | C9 | N13 | 109.6° | 108.7° |
| C9 | N10 | C11 | 107.3° | 107.3° |
| C9 | N10 | H10 | 126.3° | 126.4° |
| C9 | N13 | C12 | 105.5° | 109.2° |
| C11 | N10 | H10 | 126.3° | 126.3° |
| N10 | C11 | C12 | 107.0° | 106.8° |
| N10 | C11 | H11 | 126.4° | 126.7° |
| C12 | C11 | H11 | 126.5° | 126.6° |
| C11 | C12 | N13 | 110.5° | 108.0° |
| C11 | C12 | H12 | 124.7° | 125.9° |
| N13 | C12 | H12 | 124.8° | 126.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C26 | O28 | C25 | 171.3° | 180.0° |
| O27 | C26 | O28 | C29 | 5.0° | 0.0° |
| O27 | C26 | C25 | C24 | 103.0° | 0.0° |
| O27 | C26 | C25 | H251 | 22.3° | 120.1° |
| O27 | C26 | C25 | H252 | 131.7° | 120.1° |
| C26 | O28 | C29 | H291 | 180.0° | 180.0° |
| C26 | O28 | C29 | H292 | 54.8° | 60.0° |
| C26 | O28 | C29 | H293 | 54.8° | 60.0° |
| O28 | C26 | C25 | C24 | 85.8° | 180.0° |
| O28 | C26 | C25 | H251 | 148.9° | 60.0° |
| O28 | C26 | C25 | H252 | 39.5° | 59.9° |
| C25 | C26 | O28 | C29 | 176.2° | 180.0° |
| C26 | C25 | C24 | H251 | 125.2° | 120.0° |
| C26 | C25 | C24 | H252 | 125.3° | 120.1° |
| C26 | C25 | H251 | H252 | 115.9° | 119.9° |
| C26 | C25 | C24 | C30 | 68.6° | 90.0° |
| C26 | C25 | C24 | C23 | 111.9° | 90.0° |
| O28 | C29 | H291 | H292 | 125.3° | 120.0° |
| O28 | C29 | H291 | H293 | 125.2° | 120.0° |
| O28 | C29 | H292 | H293 | 117.0° | 120.0° |
| H291 | C29 | H292 | H293 | 117.0° | 120.0° |
| C24 | C25 | H251 | H252 | 115.9° | 120.0° |
| C25 | C24 | C30 | C23 | 179.5° | 180.0° |
| C25 | C24 | C30 | C31 | 179.1° | 180.0° |
| C25 | C24 | C30 | H30 | 0.9° | 0.0° |
| C25 | C24 | C23 | C22 | 179.5° | 179.7° |
| C25 | C24 | C23 | H23 | 0.5° | 0.0° |
| H251 | C25 | C24 | C30 | 166.2° | 150.0° |
| H251 | C25 | C24 | C23 | 13.3° | 30.0° |
| H252 | C25 | C24 | C30 | 56.7° | 30.0° |
| H252 | C25 | C24 | C23 | 122.8° | 150.0° |
| C24 | C30 | C31 | H30 | 180.0° | 180.0° |
| C24 | C30 | C31 | C21 | 1.0° | 0.0° |
| C24 | C30 | C31 | H31 | 179.0° | 179.9° |
| C30 | C24 | C23 | C22 | 1.1° | 0.3° |
| C30 | C24 | C23 | H23 | 178.9° | 180.0° |
| C23 | C24 | C30 | C31 | 1.5° | 0.0° |
| C23 | C24 | C30 | H30 | 178.6° | 180.0° |
| C24 | C23 | C22 | H23 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 0.2° | 0.6° |
| C24 | C23 | C22 | H22 | 179.8° | 180.0° |
| C30 | C31 | C21 | H31 | 180.0° | 180.0° |
| C30 | C31 | C21 | C22 | 0.1° | 0.3° |
| C30 | C31 | C21 | C20 | 178.5° | 180.0° |
| H30 | C30 | C31 | C21 | 179.0° | 180.0° |
| H30 | C30 | C31 | H31 | 1.0° | 0.0° |
| C31 | C21 | C22 | C23 | 0.3° | 0.6° |
| C31 | C21 | C22 | C20 | 178.6° | 179.7° |
| C31 | C21 | C22 | H22 | 179.7° | 180.0° |
| C31 | C21 | C20 | C32 | 138.2° | 140.2° |
| C31 | C21 | C20 | C19 | 41.5° | 39.7° |
| H31 | C31 | C21 | C22 | 179.8° | 179.7° |
| H31 | C31 | C21 | C20 | 1.5° | 0.0° |
| C23 | C22 | C21 | H22 | 180.0° | 179.4° |
| C23 | C22 | C21 | C20 | 178.9° | 179.7° |
| H23 | C23 | C22 | C21 | 179.8° | 179.7° |
| H23 | C23 | C22 | H22 | 0.2° | 0.4° |
| C22 | C21 | C20 | C32 | 40.3° | 40.1° |
| C22 | C21 | C20 | C19 | 139.9° | 139.9° |
| H22 | C22 | C21 | C20 | 1.1° | 0.3° |
| C21 | C20 | C32 | C19 | 179.8° | 180.0° |
| C21 | C20 | C32 | C33 | 179.7° | 180.0° |
| C21 | C20 | C32 | H32 | 0.3° | 0.1° |
| C21 | C20 | C19 | C18 | 179.4° | 179.7° |
| C21 | C20 | C19 | H19 | 0.6° | 0.1° |
| C20 | C32 | C33 | H32 | 180.0° | 179.9° |
| C20 | C32 | C33 | C17 | 0.1° | 0.0° |
| C20 | C32 | C33 | H33 | 179.9° | 180.0° |
| C32 | C20 | C19 | C18 | 0.4° | 0.2° |
| C32 | C20 | C19 | H19 | 179.6° | 179.9° |
| C19 | C20 | C32 | C33 | 0.1° | 0.0° |
| C19 | C20 | C32 | H32 | 179.9° | 179.9° |
| C20 | C19 | C18 | H19 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 0.6° | 0.5° |
| C20 | C19 | C18 | H18 | 179.3° | 180.0° |
| C32 | C33 | C17 | H33 | 180.0° | 180.0° |
| C32 | C33 | C17 | C18 | 0.3° | 0.2° |
| C32 | C33 | C17 | C16 | 179.8° | 179.9° |
| H32 | C32 | C33 | C17 | 179.9° | 179.9° |
| H32 | C32 | C33 | H33 | 0.1° | 0.1° |
| C33 | C17 | C18 | C19 | 0.6° | 0.5° |
| C33 | C17 | C18 | C16 | 179.4° | 179.7° |
| C33 | C17 | C18 | H18 | 179.4° | 180.0° |
| C33 | C17 | C16 | N3 | 129.9° | 90.0° |
| C33 | C17 | C16 | H161 | 4.6° | 30.0° |
| C33 | C17 | C16 | H162 | 104.8° | 150.0° |
| H33 | C33 | C17 | C18 | 179.6° | 179.7° |
| H33 | C33 | C17 | C16 | 0.2° | 0.0° |
| C19 | C18 | C17 | H18 | 180.0° | 179.4° |
| C19 | C18 | C17 | C16 | 180.0° | 179.8° |
| H19 | C19 | C18 | C17 | 179.4° | 179.8° |
| H19 | C19 | C18 | H18 | 0.6° | 0.3° |
| C18 | C17 | C16 | N3 | 50.7° | 90.3° |
| C18 | C17 | C16 | H161 | 175.9° | 149.7° |
| C18 | C17 | C16 | H162 | 74.6° | 29.7° |
| H18 | C18 | C17 | C16 | 0.0° | 0.3° |
| C17 | C16 | N3 | H161 | 125.3° | 119.9° |
| C17 | C16 | N3 | H162 | 125.3° | 120.0° |
| C17 | C16 | H161 | H162 | 117.8° | 120.0° |
| C17 | C16 | N3 | C2 | 109.9° | 90.1° |
| C17 | C16 | N3 | C4 | 76.6° | 90.0° |
| N3 | C16 | H161 | H162 | 117.8° | 120.1° |
| C16 | N3 | C2 | C4 | 174.0° | 180.0° |
| C16 | N3 | C2 | C34 | 5.4° | 87.0° |
| C16 | N3 | C2 | O1 | 175.0° | 93.0° |
| C16 | N3 | C4 | C5 | 83.8° | 50.6° |
| C16 | N3 | C4 | C15 | 37.1° | 68.8° |
| C16 | N3 | C4 | H4 | 157.1° | 170.8° |
| H161 | C16 | N3 | C2 | 124.8° | 150.0° |
| H161 | C16 | N3 | C4 | 48.7° | 30.0° |
| H162 | C16 | N3 | C2 | 15.4° | 30.0° |
| H162 | C16 | N3 | C4 | 158.2° | 150.0° |
| N3 | C2 | C34 | O1 | 179.6° | 180.0° |
| N3 | C2 | C34 | C35 | 82.5° | 6.8° |
| N3 | C2 | C34 | C44 | 104.3° | 173.1° |
| C2 | N3 | C4 | C5 | 89.9° | 129.3° |
| C2 | N3 | C4 | C15 | 149.2° | 111.2° |
| C2 | N3 | C4 | H4 | 29.1° | 9.2° |
| C4 | N3 | C2 | C34 | 179.5° | 93.0° |
| C4 | N3 | C2 | O1 | 1.0° | 87.0° |
| N3 | C4 | C5 | C15 | 121.7° | 119.8° |
| N3 | C4 | C5 | H4 | 119.1° | 120.2° |
| N3 | C4 | C15 | H4 | 120.0° | 120.3° |
| N3 | C4 | C5 | C6 | 173.9° | 175.4° |
| N3 | C4 | C5 | H5C1 | 60.9° | 64.6° |
| N3 | C4 | C5 | H5C2 | 48.6° | 55.5° |
| N3 | C4 | C15 | C14 | 172.7° | 175.4° |
| N3 | C4 | C15 | H151 | 47.5° | 55.5° |
| N3 | C4 | C15 | H152 | 62.0° | 64.7° |
| C2 | C34 | C35 | C44 | 173.0° | 179.9° |
| C2 | C34 | C35 | C36 | 173.2° | 179.9° |
| C2 | C34 | C35 | H35 | 6.8° | 0.1° |
| C2 | C34 | C44 | C43 | 173.5° | 179.8° |
| C2 | C34 | C44 | H44 | 6.5° | 0.1° |
| O1 | C2 | C34 | C35 | 97.9° | 173.1° |
| O1 | C2 | C34 | C44 | 75.3° | 7.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | C37 | 0.9° | 0.0° |
| C34 | C35 | C36 | H36 | 179.1° | 180.0° |
| C35 | C34 | C44 | C43 | 0.2° | 0.3° |
| C35 | C34 | C44 | H44 | 179.8° | 180.0° |
| C44 | C34 | C35 | C36 | 0.1° | 0.0° |
| C44 | C34 | C35 | H35 | 179.9° | 180.0° |
| C34 | C44 | C43 | C37 | 1.1° | 0.6° |
| C34 | C44 | C43 | H44 | 180.0° | 179.7° |
| C34 | C44 | C43 | H43 | 178.8° | 180.0° |
| C35 | C36 | C37 | H36 | 180.0° | 180.0° |
| C35 | C36 | C37 | C43 | 1.8° | 0.3° |
| C35 | C36 | C37 | C38 | 179.5° | 180.0° |
| H35 | C35 | C36 | C37 | 179.1° | 180.0° |
| H35 | C35 | C36 | H36 | 1.0° | 0.0° |
| C36 | C37 | C43 | C38 | 177.7° | 179.7° |
| C36 | C37 | C43 | C44 | 1.9° | 0.5° |
| C36 | C37 | C43 | H43 | 178.0° | 180.0° |
| C36 | C37 | C38 | C39 | 87.2° | 90.0° |
| C36 | C37 | C38 | H381 | 147.5° | 30.0° |
| C36 | C37 | C38 | H382 | 38.1° | 150.0° |
| H36 | C36 | C37 | C43 | 178.2° | 179.7° |
| H36 | C36 | C37 | C38 | 0.5° | 0.0° |
| C37 | C43 | C44 | H43 | 180.0° | 179.4° |
| C37 | C43 | C44 | H44 | 178.9° | 179.7° |
| C43 | C37 | C38 | C39 | 90.4° | 90.3° |
| C43 | C37 | C38 | H381 | 34.8° | 149.7° |
| C43 | C37 | C38 | H382 | 144.3° | 29.7° |
| C38 | C37 | C43 | C44 | 179.6° | 179.8° |
| C38 | C37 | C43 | H43 | 0.4° | 0.3° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 120.1° |
| C37 | C38 | H381 | H382 | 117.3° | 120.1° |
| C37 | C38 | C39 | C40 | 177.0° | 180.0° |
| C37 | C38 | C39 | H391 | 57.8° | 60.0° |
| C37 | C38 | C39 | H392 | 51.7° | 60.0° |
| H43 | C43 | C44 | H44 | 1.2° | 0.3° |
| C39 | C38 | H381 | H382 | 117.3° | 119.9° |
| C38 | C39 | C40 | H391 | 125.3° | 120.0° |
| C38 | C39 | C40 | H392 | 125.3° | 120.1° |
| C38 | C39 | H391 | H392 | 117.1° | 120.0° |
| C38 | C39 | C40 | C41 | 179.8° | 180.0° |
| C38 | C39 | C40 | H401 | 54.9° | 60.0° |
| C38 | C39 | C40 | H402 | 54.5° | 59.9° |
| H381 | C38 | C39 | C40 | 51.7° | 60.0° |
| H381 | C38 | C39 | H391 | 177.0° | 180.0° |
| H381 | C38 | C39 | H392 | 73.6° | 60.1° |
| H382 | C38 | C39 | C40 | 57.7° | 59.9° |
| H382 | C38 | C39 | H391 | 67.5° | 60.1° |
| H382 | C38 | C39 | H392 | 177.0° | 180.0° |
| C40 | C39 | H391 | H392 | 117.1° | 119.9° |
| C39 | C40 | C41 | H401 | 125.3° | 120.0° |
| C39 | C40 | C41 | H402 | 125.2° | 120.0° |
| C39 | C40 | H401 | H402 | 117.5° | 119.9° |
| C39 | C40 | C41 | C42 | 178.6° | 180.0° |
| C39 | C40 | C41 | H411 | 56.2° | 60.0° |
| C39 | C40 | C41 | H412 | 53.4° | 60.0° |
| H391 | C39 | C40 | C41 | 54.5° | 60.0° |
| H391 | C39 | C40 | H401 | 179.8° | 180.0° |
| H391 | C39 | C40 | H402 | 70.7° | 60.1° |
| H392 | C39 | C40 | C41 | 54.9° | 60.0° |
| H392 | C39 | C40 | H401 | 70.3° | 60.1° |
| H392 | C39 | C40 | H402 | 179.8° | 180.0° |
| C41 | C40 | H401 | H402 | 117.5° | 120.0° |
| C40 | C41 | C42 | H411 | 125.3° | 120.0° |
| C40 | C41 | C42 | H412 | 125.2° | 120.0° |
| C40 | C41 | H411 | H412 | 117.1° | 120.0° |
| C40 | C41 | C42 | H421 | 180.0° | 180.0° |
| C40 | C41 | C42 | H422 | 54.7° | 60.0° |
| C40 | C41 | C42 | H423 | 54.7° | 60.0° |
| H401 | C40 | C41 | C42 | 53.3° | 60.0° |
| H401 | C40 | C41 | H411 | 178.6° | 180.0° |
| H401 | C40 | C41 | H412 | 71.9° | 60.0° |
| H402 | C40 | C41 | C42 | 56.2° | 60.0° |
| H402 | C40 | C41 | H411 | 69.1° | 60.0° |
| H402 | C40 | C41 | H412 | 178.6° | 180.0° |
| C42 | C41 | H411 | H412 | 117.1° | 120.0° |
| C41 | C42 | H421 | H422 | 125.2° | 120.0° |
| C41 | C42 | H421 | H423 | 125.3° | 120.0° |
| C41 | C42 | H422 | H423 | 117.1° | 120.0° |
| H411 | C41 | C42 | H421 | 54.7° | 60.0° |
| H411 | C41 | C42 | H422 | NaN° | 60.0° |
| H411 | C41 | C42 | H423 | 70.5° | 180.0° |
| H412 | C41 | C42 | H421 | 54.7° | 60.0° |
| H412 | C41 | C42 | H422 | 70.5° | 179.9° |
| H412 | C41 | C42 | H423 | 180.0° | 60.0° |
| H421 | C42 | H422 | H423 | 117.1° | 120.0° |
| C5 | C4 | C15 | H4 | 119.3° | 119.9° |
| C4 | C5 | C6 | H5C1 | 125.3° | 120.0° |
| C4 | C5 | C6 | H5C2 | 125.2° | 119.9° |
| C4 | C5 | H5C1 | H5C2 | 119.0° | 120.1° |
| C4 | C5 | C6 | N7 | 55.8° | 61.3° |
| C4 | C5 | C6 | H6C1 | 178.9° | 58.8° |
| C4 | C5 | C6 | H6C2 | 69.4° | 178.5° |
| C5 | C4 | C15 | C14 | 66.6° | 55.6° |
| C5 | C4 | C15 | H151 | 168.2° | 64.3° |
| C5 | C4 | C15 | H152 | 58.7° | 175.4° |
| C15 | C4 | C5 | C6 | 64.5° | 55.6° |
| C15 | C4 | C5 | H5C1 | 60.8° | 175.5° |
| C15 | C4 | C5 | H5C2 | 170.3° | 64.3° |
| C4 | C15 | C14 | N7 | 60.9° | 61.4° |
| C4 | C15 | C14 | H151 | 125.3° | 119.9° |
| C4 | C15 | C14 | H152 | 125.3° | 119.8° |
| C4 | C15 | C14 | H141 | 64.4° | 58.7° |
| C4 | C15 | C14 | H142 | 173.9° | 178.5° |
| C4 | C15 | H151 | H152 | 119.6° | 120.1° |
| H4 | C4 | C5 | C6 | 54.8° | 64.4° |
| H4 | C4 | C5 | H5C1 | 180.0° | 55.6° |
| H4 | C4 | C5 | H5C2 | 70.4° | 175.7° |
| H4 | C4 | C15 | C14 | 52.7° | 64.3° |
| H4 | C4 | C15 | H151 | 72.6° | 175.8° |
| H4 | C4 | C15 | H152 | 178.0° | 55.6° |
| C6 | C5 | H5C1 | H5C2 | 119.0° | 120.1° |
| C5 | C6 | N7 | H6C1 | 125.3° | 120.1° |
| C5 | C6 | N7 | H6C2 | 125.3° | 120.1° |
| C5 | C6 | H6C1 | H6C2 | 117.8° | 119.8° |
| C5 | C6 | N7 | C14 | 53.5° | 65.6° |
| C5 | C6 | N7 | C8 | 166.4° | 179.7° |
| H5C1 | C5 | C6 | N7 | 69.5° | 178.7° |
| H5C1 | C5 | C6 | H6C1 | 55.8° | 61.2° |
| H5C1 | C5 | C6 | H6C2 | 165.3° | 58.5° |
| H5C2 | C5 | C6 | N7 | 178.9° | 58.6° |
| H5C2 | C5 | C6 | H6C1 | 53.7° | 178.7° |
| H5C2 | C5 | C6 | H6C2 | 55.8° | 61.6° |
| N7 | C6 | H6C1 | H6C2 | 117.7° | 119.9° |
| C6 | N7 | C14 | C8 | 118.9° | 114.1° |
| C6 | N7 | C14 | C15 | 56.5° | 65.6° |
| C6 | N7 | C14 | H141 | 68.8° | 54.4° |
| C6 | N7 | C14 | H142 | 178.3° | 174.2° |
| C6 | N7 | C8 | C9 | 61.9° | 180.0° |
| C6 | N7 | C8 | H8C1 | 63.3° | 60.0° |
| C6 | N7 | C8 | H8C2 | 172.8° | 59.9° |
| H6C1 | C6 | N7 | C14 | 178.8° | 54.5° |
| H6C1 | C6 | N7 | C8 | 68.3° | 59.6° |
| H6C2 | C6 | N7 | C14 | 71.8° | 174.3° |
| H6C2 | C6 | N7 | C8 | 41.2° | 60.2° |
| N7 | C14 | C15 | H141 | 125.3° | 120.1° |
| N7 | C14 | C15 | H142 | 125.2° | 120.1° |
| N7 | C14 | H141 | H142 | 117.7° | 119.8° |
| N7 | C14 | C15 | H151 | 173.9° | 58.5° |
| N7 | C14 | C15 | H152 | 64.4° | 178.8° |
| C14 | N7 | C8 | C9 | 177.4° | 65.5° |
| C14 | N7 | C8 | H8C1 | 57.4° | 54.6° |
| C14 | N7 | C8 | H8C2 | 52.1° | 174.5° |
| C8 | N7 | C14 | C15 | 175.4° | 179.7° |
| C8 | N7 | C14 | H141 | 50.1° | 59.7° |
| C8 | N7 | C14 | H142 | 59.4° | 60.1° |
| N7 | C8 | C9 | H8C1 | 125.3° | 120.1° |
| N7 | C8 | C9 | H8C2 | 125.2° | 120.1° |
| N7 | C8 | H8C1 | H8C2 | 118.2° | 120.0° |
| N7 | C8 | C9 | N10 | 110.6° | 180.0° |
| N7 | C8 | C9 | N13 | 71.7° | 0.3° |
| C15 | C14 | H141 | H142 | 117.7° | 119.9° |
| C14 | C15 | H151 | H152 | 119.5° | 120.1° |
| H141 | C14 | C15 | H151 | 60.8° | 178.6° |
| H141 | C14 | C15 | H152 | 170.3° | 61.2° |
| H142 | C14 | C15 | H151 | 48.6° | 61.6° |
| H142 | C14 | C15 | H152 | 60.8° | 58.6° |
| C9 | C8 | H8C1 | H8C2 | 118.2° | 119.9° |
| C8 | C9 | N10 | N13 | 178.1° | 179.8° |
| C8 | C9 | N10 | C11 | 179.7° | 180.0° |
| C8 | C9 | N10 | H10 | 0.3° | 0.0° |
| C8 | C9 | N13 | C12 | 179.4° | 179.8° |
| H8C1 | C8 | C9 | N10 | 14.7° | 59.9° |
| H8C1 | C8 | C9 | N13 | 163.0° | 120.3° |
| H8C2 | C8 | C9 | N10 | 124.2° | 60.0° |
| H8C2 | C8 | C9 | N13 | 53.5° | 119.8° |
| C9 | N10 | C11 | H10 | 180.0° | 180.0° |
| C9 | N10 | C11 | C12 | 0.9° | 0.0° |
| C9 | N10 | C11 | H11 | 179.1° | 180.0° |
| N10 | C9 | N13 | C12 | 1.6° | 0.4° |
| N13 | C9 | N10 | C11 | 1.6° | 0.2° |
| N13 | C9 | N10 | H10 | 178.4° | 179.7° |
| C9 | N13 | C12 | C11 | 1.0° | 0.4° |
| C9 | N13 | C12 | H12 | 179.0° | 179.9° |
| N10 | C11 | C12 | H11 | 180.0° | 180.0° |
| N10 | C11 | C12 | N13 | 0.1° | 0.2° |
| N10 | C11 | C12 | H12 | 179.9° | 180.0° |
| H10 | N10 | C11 | C12 | 179.1° | 180.0° |
| H10 | N10 | C11 | H11 | 0.9° | 0.0° |
| C11 | C12 | N13 | H12 | 180.0° | 179.7° |
| H11 | C11 | C12 | N13 | 179.9° | 179.7° |
| H11 | C11 | C12 | H12 | 0.1° | 0.0° |
