PI4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.53Å | 1.51Å | |
| C1 | C23 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | O3 | doub | 1.21Å | 1.23Å | |
| C2 | C4 | sing | 1.51Å | 1.52Å | |
| C2 | N5 | sing | 1.36Å | 1.33Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| N5 | C6 | sing | 1.48Å | 1.47Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.11Å | |
| C7 | O8 | doub | 1.21Å | 1.23Å | |
| C7 | N13 | sing | 1.35Å | 1.33Å | |
| C9 | C10 | sing | 1.51Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | O11 | doub | 1.21Å | 1.23Å | |
| C10 | N12 | sing | 1.35Å | 1.33Å | |
| N12 | H121 | sing | 0.97Å | 1.02Å | |
| N12 | H122 | sing | 0.97Å | 1.02Å | |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| N13 | H13 | sing | 0.97Å | 1.02Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C24 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C21 | sing | 1.39Å | 1.38Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | O22 | sing | 1.36Å | 1.37Å | |
| O22 | C23 | sing | 1.43Å | 1.41Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C26 | N27 | sing | 1.47Å | 1.48Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| N27 | C28 | sing | 1.47Å | 1.49Å | |
| N27 | C32 | sing | 1.47Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C33 | sing | 1.51Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C33 | O34 | doub | 1.21Å | 1.23Å | |
| C33 | N39 | sing | 1.35Å | 1.34Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | C38 | sing | 1.53Å | 1.52Å | |
| C35 | N39 | sing | 1.46Å | 1.47Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C36 | H363 | sing | 1.09Å | 1.11Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H373 | sing | 1.09Å | 1.11Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C38 | H383 | sing | 1.09Å | 1.11Å | |
| N39 | H39 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C23 | 110.8° | 109.5° |
| C4 | C1 | H11 | 111.7° | 109.5° |
| C4 | C1 | H12 | 111.7° | 109.5° |
| C1 | C4 | C2 | 112.9° | 109.5° |
| C1 | C4 | H41 | 111.0° | 109.5° |
| C1 | C4 | H42 | 111.0° | 109.5° |
| C23 | C1 | H11 | 111.8° | 109.4° |
| C23 | C1 | H12 | 111.8° | 109.4° |
| C1 | C23 | O22 | 110.4° | 109.5° |
| C1 | C23 | H231 | 111.8° | 109.5° |
| C1 | C23 | H232 | 111.8° | 109.4° |
| H11 | C1 | H12 | 98.6° | 109.5° |
| O3 | C2 | C4 | 120.6° | 120.5° |
| O3 | C2 | N5 | 123.0° | 120.5° |
| C4 | C2 | N5 | 116.3° | 118.9° |
| C2 | C4 | H41 | 111.0° | 109.4° |
| C2 | C4 | H42 | 110.9° | 109.5° |
| C2 | N5 | C6 | 121.9° | 115.9° |
| C2 | N5 | HN5 | 113.9° | 122.0° |
| H41 | C4 | H42 | 99.4° | 109.5° |
| C6 | N5 | HN5 | 124.2° | 122.0° |
| N5 | C6 | C7 | 114.4° | 108.8° |
| N5 | C6 | C9 | 109.6° | 109.6° |
| N5 | C6 | H6 | 105.8° | 109.6° |
| C7 | C6 | C9 | 108.9° | 109.7° |
| C7 | C6 | H6 | 106.6° | 109.6° |
| C6 | C7 | O8 | 121.0° | 120.0° |
| C6 | C7 | N13 | 116.0° | 120.1° |
| C9 | C6 | H6 | 111.6° | 109.6° |
| C6 | C9 | C10 | 112.5° | 109.5° |
| C6 | C9 | H91 | 111.1° | 109.5° |
| C6 | C9 | H92 | 111.1° | 109.5° |
| O8 | C7 | N13 | 123.1° | 119.9° |
| C7 | N13 | C14 | 121.8° | 120.4° |
| C7 | N13 | H13 | 113.9° | 119.9° |
| C10 | C9 | H91 | 111.1° | 109.5° |
| C10 | C9 | H92 | 111.1° | 109.5° |
| C9 | C10 | O11 | 120.9° | 120.0° |
| C9 | C10 | N12 | 116.4° | 120.0° |
| H91 | C9 | H92 | 99.2° | 109.5° |
| O11 | C10 | N12 | 122.7° | 120.0° |
| C10 | N12 | H121 | 122.7° | 120.0° |
| C10 | N12 | H122 | 116.4° | 119.9° |
| H121 | N12 | H122 | 120.8° | 120.0° |
| C14 | N13 | H13 | 124.3° | 119.8° |
| N13 | C14 | C15 | 110.1° | 109.2° |
| N13 | C14 | C24 | 110.1° | 109.5° |
| N13 | C14 | H14 | 108.9° | 109.5° |
| C15 | C14 | C24 | 110.5° | 109.5° |
| C15 | C14 | H14 | 108.6° | 109.5° |
| C14 | C15 | C16 | 112.5° | 109.1° |
| C14 | C15 | H151 | 111.1° | 109.5° |
| C14 | C15 | H152 | 111.1° | 109.6° |
| C24 | C14 | H14 | 108.6° | 109.6° |
| C14 | C24 | O25 | 110.1° | 109.5° |
| C14 | C24 | C26 | 111.2° | 109.5° |
| C14 | C24 | H24 | 108.0° | 109.5° |
| C16 | C15 | H151 | 111.1° | 109.5° |
| C16 | C15 | H152 | 111.1° | 109.5° |
| C15 | C16 | C17 | 120.3° | 119.9° |
| C15 | C16 | C19 | 121.2° | 120.0° |
| H151 | C15 | H152 | 99.3° | 109.5° |
| C17 | C16 | C19 | 118.4° | 120.1° |
| C16 | C17 | C18 | 121.3° | 120.1° |
| C16 | C17 | H17 | 120.0° | 120.0° |
| C16 | C19 | C20 | 120.7° | 120.0° |
| C16 | C19 | H19 | 120.0° | 120.0° |
| C18 | C17 | H17 | 118.8° | 119.9° |
| C17 | C18 | C21 | 119.7° | 119.9° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C21 | C18 | H18 | 120.3° | 120.0° |
| C18 | C21 | C20 | 120.7° | 119.9° |
| C18 | C21 | O22 | 118.2° | 120.1° |
| C20 | C19 | H19 | 119.3° | 120.0° |
| C19 | C20 | C21 | 119.2° | 120.0° |
| C19 | C20 | H20 | 120.4° | 120.0° |
| C21 | C20 | H20 | 120.4° | 120.1° |
| C20 | C21 | O22 | 121.1° | 120.0° |
| C21 | O22 | C23 | 117.4° | 106.8° |
| O22 | C23 | H231 | 111.9° | 109.5° |
| O22 | C23 | H232 | 111.9° | 109.4° |
| H231 | C23 | H232 | 98.6° | 109.5° |
| O25 | C24 | C26 | 109.8° | 109.5° |
| O25 | C24 | H24 | 109.4° | 109.4° |
| C24 | O25 | H25 | 110.1° | 106.8° |
| C26 | C24 | H24 | 108.4° | 109.5° |
| C24 | C26 | N27 | 108.9° | 109.5° |
| C24 | C26 | H261 | 112.4° | 109.5° |
| C24 | C26 | H262 | 112.4° | 109.5° |
| N27 | C26 | H261 | 112.4° | 109.4° |
| N27 | C26 | H262 | 112.4° | 109.5° |
| C26 | N27 | C28 | 107.9° | 106.7° |
| C26 | N27 | C32 | 109.6° | 106.7° |
| H261 | C26 | H262 | 98.0° | 109.5° |
| C28 | N27 | C32 | 110.1° | 107.3° |
| N27 | C28 | C29 | 109.7° | 109.8° |
| N27 | C28 | C33 | 110.2° | 109.4° |
| N27 | C28 | H28 | 109.0° | 109.4° |
| N27 | C32 | C31 | 112.2° | 109.7° |
| N27 | C32 | H321 | 111.2° | 109.4° |
| N27 | C32 | H322 | 111.2° | 109.5° |
| C29 | C28 | C33 | 110.2° | 109.4° |
| C29 | C28 | H28 | 109.1° | 109.5° |
| C28 | C29 | C30 | 113.6° | 109.2° |
| C28 | C29 | H291 | 110.7° | 109.5° |
| C28 | C29 | H292 | 110.7° | 109.6° |
| C33 | C28 | H28 | 108.6° | 109.4° |
| C28 | C33 | O34 | 120.2° | 120.0° |
| C28 | C33 | N39 | 116.2° | 120.0° |
| C30 | C29 | H291 | 110.7° | 109.5° |
| C30 | C29 | H292 | 110.7° | 109.5° |
| C29 | C30 | C31 | 110.3° | 108.9° |
| C29 | C30 | H301 | 111.9° | 109.6° |
| C29 | C30 | H302 | 111.9° | 109.5° |
| H291 | C29 | H292 | 99.6° | 109.6° |
| C31 | C30 | H301 | 111.9° | 109.6° |
| C31 | C30 | H302 | 111.9° | 109.6° |
| C30 | C31 | C32 | 111.0° | 109.2° |
| C30 | C31 | H311 | 111.7° | 109.5° |
| C30 | C31 | H312 | 111.6° | 109.5° |
| H301 | C30 | H302 | 98.5° | 109.7° |
| C32 | C31 | H311 | 111.6° | 109.5° |
| C32 | C31 | H312 | 111.6° | 109.6° |
| C31 | C32 | H321 | 111.2° | 109.4° |
| C31 | C32 | H322 | 111.2° | 109.4° |
| H311 | C31 | H312 | 98.7° | 109.6° |
| H321 | C32 | H322 | 99.2° | 109.4° |
| O34 | C33 | N39 | 123.6° | 120.0° |
| C33 | N39 | C35 | 124.4° | 120.0° |
| C33 | N39 | H39 | 112.5° | 120.0° |
| C36 | C35 | C37 | 108.6° | 109.5° |
| C36 | C35 | C38 | 109.7° | 109.4° |
| C36 | C35 | N39 | 110.6° | 109.5° |
| C35 | C36 | H361 | 108.7° | 109.5° |
| C35 | C36 | H362 | 112.6° | 109.5° |
| C35 | C36 | H363 | 112.5° | 109.5° |
| C37 | C35 | C38 | 108.3° | 109.5° |
| C37 | C35 | N39 | 109.5° | 109.5° |
| C35 | C37 | H371 | 108.6° | 109.5° |
| C35 | C37 | H372 | 112.5° | 109.5° |
| C35 | C37 | H373 | 112.5° | 109.5° |
| C38 | C35 | N39 | 110.0° | 109.5° |
| C35 | C38 | H381 | 109.7° | 109.5° |
| C35 | C38 | H382 | 112.1° | 109.4° |
| C35 | C38 | H383 | 112.1° | 109.5° |
| C35 | N39 | H39 | 123.1° | 120.0° |
| H361 | C36 | H362 | 112.4° | 109.4° |
| H361 | C36 | H363 | 112.5° | 109.4° |
| H362 | C36 | H363 | 97.9° | 109.5° |
| H371 | C37 | H372 | 112.6° | 109.5° |
| H371 | C37 | H373 | 112.6° | 109.5° |
| H372 | C37 | H373 | 97.9° | 109.4° |
| H381 | C38 | H382 | 112.1° | 109.5° |
| H381 | C38 | H383 | 112.2° | 109.5° |
| H382 | C38 | H383 | 98.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C23 | H11 | 125.3° | 120.0° |
| C4 | C1 | C23 | H12 | 125.2° | 120.0° |
| C4 | C1 | H11 | H12 | 117.6° | 120.1° |
| C1 | C4 | C2 | O3 | 111.8° | 58.0° |
| C1 | C4 | C2 | H41 | 125.3° | 120.0° |
| C1 | C4 | C2 | H42 | 125.3° | 120.0° |
| C1 | C4 | C2 | N5 | 67.1° | 122.0° |
| C1 | C4 | H41 | H42 | 116.8° | 120.1° |
| C4 | C1 | C23 | O22 | 145.3° | 141.5° |
| C4 | C1 | C23 | H231 | 89.4° | 98.4° |
| C4 | C1 | C23 | H232 | 20.0° | 21.6° |
| C23 | C1 | H11 | H12 | 117.7° | 119.9° |
| C23 | C1 | C4 | C2 | 75.9° | 109.3° |
| C23 | C1 | C4 | H41 | 49.4° | 130.7° |
| C23 | C1 | C4 | H42 | 158.9° | 10.7° |
| C1 | C23 | O22 | C21 | 74.5° | 85.7° |
| C1 | C23 | O22 | H231 | 125.2° | 120.1° |
| C1 | C23 | O22 | H232 | 125.2° | 119.9° |
| C1 | C23 | H231 | H232 | 117.7° | 120.0° |
| H11 | C1 | C4 | C2 | 49.4° | 10.7° |
| H11 | C1 | C4 | H41 | 174.7° | 109.3° |
| H11 | C1 | C4 | H42 | 75.8° | 130.7° |
| H11 | C1 | C23 | O22 | 20.0° | 21.5° |
| H11 | C1 | C23 | H231 | 145.3° | 141.5° |
| H11 | C1 | C23 | H232 | 105.2° | 98.4° |
| H12 | C1 | C4 | C2 | 158.8° | 130.7° |
| H12 | C1 | C4 | H41 | 75.9° | 10.8° |
| H12 | C1 | C4 | H42 | 33.6° | 109.2° |
| H12 | C1 | C23 | O22 | 89.5° | 98.5° |
| H12 | C1 | C23 | H231 | 35.8° | 21.6° |
| H12 | C1 | C23 | H232 | 145.3° | 141.6° |
| O3 | C2 | C4 | N5 | 179.0° | 179.9° |
| O3 | C2 | C4 | H41 | 13.4° | 62.0° |
| O3 | C2 | C4 | H42 | 122.9° | 178.1° |
| O3 | C2 | N5 | C6 | 2.1° | 0.2° |
| O3 | C2 | N5 | HN5 | 178.0° | 179.8° |
| C2 | C4 | H41 | H42 | 116.8° | 120.0° |
| C4 | C2 | N5 | C6 | 179.0° | 179.9° |
| C4 | C2 | N5 | HN5 | 1.0° | 0.1° |
| N5 | C2 | C4 | H41 | 167.6° | 118.0° |
| N5 | C2 | C4 | H42 | 58.1° | 2.0° |
| C2 | N5 | C6 | HN5 | 180.0° | 180.0° |
| C2 | N5 | C6 | C7 | 130.3° | 130.6° |
| C2 | N5 | C6 | C9 | 107.1° | 109.5° |
| C2 | N5 | C6 | H6 | 13.3° | 10.8° |
| N5 | C6 | C7 | C9 | 123.0° | 119.8° |
| N5 | C6 | C7 | H6 | 116.6° | 119.8° |
| N5 | C6 | C9 | H6 | 116.9° | 120.3° |
| N5 | C6 | C7 | O8 | 62.0° | 86.7° |
| N5 | C6 | C7 | N13 | 118.6° | 93.3° |
| N5 | C6 | C9 | C10 | 55.9° | 64.9° |
| N5 | C6 | C9 | H91 | 69.3° | 55.1° |
| N5 | C6 | C9 | H92 | 178.8° | 175.1° |
| HN5 | N5 | C6 | C7 | 49.7° | 49.3° |
| HN5 | N5 | C6 | C9 | 72.8° | 70.5° |
| HN5 | N5 | C6 | H6 | 166.7° | 169.2° |
| C7 | C6 | C9 | H6 | 117.3° | 120.4° |
| C6 | C7 | O8 | N13 | 179.4° | 180.0° |
| C7 | C6 | C9 | C10 | 178.3° | 175.7° |
| C7 | C6 | C9 | H91 | 56.5° | 64.2° |
| C7 | C6 | C9 | H92 | 53.0° | 55.8° |
| C6 | C7 | N13 | C14 | 179.6° | 180.0° |
| C6 | C7 | N13 | H13 | 0.4° | 0.0° |
| C9 | C6 | C7 | O8 | 61.0° | 33.1° |
| C9 | C6 | C7 | N13 | 118.5° | 146.9° |
| C6 | C9 | C10 | H91 | 125.3° | 120.0° |
| C6 | C9 | C10 | H92 | 125.3° | 120.0° |
| C6 | C9 | H91 | H92 | 117.0° | 120.0° |
| C6 | C9 | C10 | O11 | 95.9° | 0.0° |
| C6 | C9 | C10 | N12 | 82.9° | 180.0° |
| H6 | C6 | C7 | O8 | 178.6° | 153.5° |
| H6 | C6 | C7 | N13 | 2.0° | 26.4° |
| H6 | C6 | C9 | C10 | 60.9° | 55.3° |
| H6 | C6 | C9 | H91 | 173.8° | 175.4° |
| H6 | C6 | C9 | H92 | 64.3° | 64.6° |
| O8 | C7 | N13 | C14 | 0.2° | 0.0° |
| O8 | C7 | N13 | H13 | 179.8° | 180.0° |
| C7 | N13 | C14 | H13 | 180.0° | 179.9° |
| C7 | N13 | C14 | C15 | 110.4° | 138.8° |
| C7 | N13 | C14 | C24 | 127.5° | 101.3° |
| C7 | N13 | C14 | H14 | 8.5° | 18.9° |
| C10 | C9 | H91 | H92 | 117.0° | 120.0° |
| C9 | C10 | O11 | N12 | 178.7° | 180.0° |
| C9 | C10 | N12 | H121 | 1.3° | 180.0° |
| C9 | C10 | N12 | H122 | 180.0° | 0.1° |
| H91 | C9 | C10 | O11 | 138.8° | 120.0° |
| H91 | C9 | C10 | N12 | 42.4° | 60.0° |
| H92 | C9 | C10 | O11 | 29.3° | 120.0° |
| H92 | C9 | C10 | N12 | 151.8° | 60.0° |
| O11 | C10 | N12 | H121 | 179.9° | 0.0° |
| O11 | C10 | N12 | H122 | 1.2° | 180.0° |
| C10 | N12 | H121 | H122 | 178.6° | 180.0° |
| N13 | C14 | C15 | C24 | 121.8° | 119.9° |
| N13 | C14 | C15 | H14 | 119.2° | 119.9° |
| N13 | C14 | C24 | H14 | 119.2° | 120.1° |
| N13 | C14 | C15 | C16 | 28.7° | 25.8° |
| N13 | C14 | C15 | H151 | 96.6° | 94.1° |
| N13 | C14 | C15 | H152 | 153.9° | 145.8° |
| N13 | C14 | C24 | O25 | 67.8° | 174.0° |
| N13 | C14 | C24 | C26 | 170.3° | 53.9° |
| N13 | C14 | C24 | H24 | 51.5° | 66.1° |
| H13 | N13 | C14 | C15 | 69.6° | 41.1° |
| H13 | N13 | C14 | C24 | 52.5° | 78.8° |
| H13 | N13 | C14 | H14 | 171.5° | 161.0° |
| C15 | C14 | C24 | H14 | 119.0° | 120.1° |
| C14 | C15 | C16 | H151 | 125.2° | 119.9° |
| C14 | C15 | C16 | H152 | 125.2° | 120.0° |
| C14 | C15 | H151 | H152 | 117.0° | 120.2° |
| C14 | C15 | C16 | C17 | 92.4° | 72.0° |
| C14 | C15 | C16 | C19 | 84.0° | 107.9° |
| C15 | C14 | C24 | O25 | 54.0° | 66.3° |
| C15 | C14 | C24 | C26 | 67.9° | 173.7° |
| C15 | C14 | C24 | H24 | 173.4° | 53.7° |
| C24 | C14 | C15 | C16 | 150.5° | 145.8° |
| C24 | C14 | C15 | H151 | 25.2° | 25.9° |
| C24 | C14 | C15 | H152 | 84.3° | 94.3° |
| C14 | C24 | O25 | C26 | 122.7° | 120.0° |
| C14 | C24 | O25 | H24 | 118.5° | 120.0° |
| C14 | C24 | C26 | H24 | 118.5° | 120.0° |
| C14 | C24 | O25 | H25 | 180.0° | 60.0° |
| C14 | C24 | C26 | N27 | 74.4° | 179.5° |
| C14 | C24 | C26 | H261 | 50.9° | 59.6° |
| C14 | C24 | C26 | H262 | 160.4° | 60.4° |
| H14 | C14 | C15 | C16 | 90.5° | 94.1° |
| H14 | C14 | C15 | H151 | 144.2° | 146.0° |
| H14 | C14 | C15 | H152 | 34.7° | 25.8° |
| H14 | C14 | C24 | O25 | 173.0° | 53.8° |
| H14 | C14 | C24 | C26 | 51.1° | 66.2° |
| H14 | C14 | C24 | H24 | 67.6° | 173.8° |
| C16 | C15 | H151 | H152 | 117.0° | 120.2° |
| C15 | C16 | C17 | C19 | 176.4° | 179.9° |
| C15 | C16 | C17 | C18 | 175.5° | 179.7° |
| C15 | C16 | C17 | H17 | 4.5° | 0.4° |
| C15 | C16 | C19 | C20 | 175.5° | 179.6° |
| C15 | C16 | C19 | H19 | 4.5° | 0.3° |
| H151 | C15 | C16 | C17 | 32.9° | 168.1° |
| H151 | C15 | C16 | C19 | 150.8° | 12.0° |
| H152 | C15 | C16 | C17 | 142.4° | 48.0° |
| H152 | C15 | C16 | C19 | 41.3° | 132.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C21 | 0.5° | 0.0° |
| C16 | C17 | C18 | H18 | 179.4° | 180.0° |
| C17 | C16 | C19 | C20 | 1.0° | 0.3° |
| C17 | C16 | C19 | H19 | 179.1° | 179.7° |
| C19 | C16 | C17 | C18 | 1.0° | 0.2° |
| C19 | C16 | C17 | H17 | 179.1° | 179.7° |
| C16 | C19 | C20 | H19 | 180.0° | 180.0° |
| C16 | C19 | C20 | C21 | 0.5° | 0.0° |
| C16 | C19 | C20 | H20 | 179.5° | 179.9° |
| C17 | C18 | C21 | H18 | 180.0° | 180.0° |
| C17 | C18 | C21 | C20 | 0.1° | 0.3° |
| C17 | C18 | C21 | O22 | 178.3° | 179.7° |
| H17 | C17 | C18 | C21 | 179.5° | 180.0° |
| H17 | C17 | C18 | H18 | 0.5° | 0.0° |
| C18 | C21 | C20 | C19 | 0.1° | 0.2° |
| C18 | C21 | C20 | O22 | 178.2° | 180.0° |
| C18 | C21 | C20 | H20 | 179.9° | 179.7° |
| C18 | C21 | O22 | C23 | 62.4° | 51.6° |
| H18 | C18 | C21 | C20 | 179.9° | 179.7° |
| H18 | C18 | C21 | O22 | 1.6° | 0.3° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | O22 | 178.3° | 179.7° |
| H19 | C19 | C20 | C21 | 179.5° | 180.0° |
| H19 | C19 | C20 | H20 | 0.5° | 0.1° |
| C20 | C21 | O22 | C23 | 115.9° | 128.3° |
| H20 | C20 | C21 | O22 | 1.7° | 0.4° |
| C21 | O22 | C23 | H231 | 160.3° | 154.2° |
| C21 | O22 | C23 | H232 | 50.8° | 34.2° |
| O22 | C23 | H231 | H232 | 117.8° | 119.9° |
| O25 | C24 | C26 | H24 | 119.4° | 120.0° |
| O25 | C24 | C26 | N27 | 163.5° | 59.5° |
| O25 | C24 | C26 | H261 | 71.2° | 60.5° |
| O25 | C24 | C26 | H262 | 38.3° | 179.5° |
| C26 | C24 | O25 | H25 | 57.3° | 60.0° |
| C24 | C26 | N27 | H261 | 125.2° | 120.0° |
| C24 | C26 | N27 | H262 | 125.2° | 120.0° |
| C24 | C26 | H261 | H262 | 118.3° | 120.0° |
| C24 | C26 | N27 | C28 | 162.1° | 164.8° |
| C24 | C26 | N27 | C32 | 78.0° | 80.8° |
| H24 | C24 | O25 | H25 | 61.5° | 180.0° |
| H24 | C24 | C26 | N27 | 44.1° | 60.5° |
| H24 | C24 | C26 | H261 | 169.4° | 179.6° |
| H24 | C24 | C26 | H262 | 81.2° | 59.6° |
| N27 | C26 | H261 | H262 | 118.4° | 120.0° |
| C26 | N27 | C28 | C32 | 119.6° | 114.1° |
| C26 | N27 | C28 | C29 | 177.2° | 179.8° |
| C26 | N27 | C28 | C33 | 61.3° | 60.1° |
| C26 | N27 | C28 | H28 | 57.8° | 59.7° |
| C26 | N27 | C32 | C31 | 178.2° | 179.7° |
| C26 | N27 | C32 | H321 | 52.9° | 60.2° |
| C26 | N27 | C32 | H322 | 56.6° | 59.6° |
| H261 | C26 | N27 | C28 | 36.8° | 75.2° |
| H261 | C26 | N27 | C32 | 156.7° | 39.2° |
| H262 | C26 | N27 | C28 | 72.7° | 44.8° |
| H262 | C26 | N27 | C32 | 47.2° | 159.2° |
| N27 | C28 | C29 | C33 | 121.6° | 120.0° |
| N27 | C28 | C29 | H28 | 119.3° | 120.1° |
| N27 | C28 | C33 | H28 | 119.3° | 119.8° |
| N27 | C28 | C29 | C30 | 55.6° | 61.4° |
| N27 | C28 | C29 | H291 | 69.6° | 58.5° |
| N27 | C28 | C29 | H292 | 179.1° | 178.7° |
| C28 | N27 | C32 | C31 | 59.7° | 65.7° |
| C28 | N27 | C32 | H321 | 65.6° | 174.2° |
| C28 | N27 | C32 | H322 | 175.1° | 54.4° |
| N27 | C28 | C33 | O34 | 34.6° | 15.0° |
| N27 | C28 | C33 | N39 | 145.1° | 165.0° |
| C32 | N27 | C28 | C29 | 57.6° | 65.7° |
| C32 | N27 | C28 | C33 | 179.1° | 174.2° |
| C32 | N27 | C28 | H28 | 61.8° | 54.4° |
| N27 | C32 | C31 | C30 | 56.4° | 61.4° |
| N27 | C32 | C31 | H321 | 125.3° | 120.1° |
| N27 | C32 | C31 | H322 | 125.3° | 120.1° |
| N27 | C32 | C31 | H311 | 68.9° | 58.5° |
| N27 | C32 | C31 | H312 | 178.3° | 178.7° |
| N27 | C32 | H321 | H322 | 117.1° | 119.9° |
| C29 | C28 | C33 | H28 | 119.4° | 119.9° |
| C28 | C29 | C30 | H291 | 125.2° | 119.9° |
| C28 | C29 | C30 | H292 | 125.3° | 119.9° |
| C28 | C29 | H291 | H292 | 116.6° | 120.2° |
| C28 | C29 | C30 | C31 | 52.2° | 55.6° |
| C28 | C29 | C30 | H301 | 177.5° | 175.4° |
| C28 | C29 | C30 | H302 | 73.0° | 64.3° |
| C29 | C28 | C33 | O34 | 86.7° | 105.2° |
| C29 | C28 | C33 | N39 | 93.6° | 74.8° |
| C33 | C28 | C29 | C30 | 177.2° | 178.5° |
| C33 | C28 | C29 | H291 | 51.9° | 61.6° |
| C33 | C28 | C29 | H292 | 57.6° | 58.6° |
| C28 | C33 | O34 | N39 | 179.6° | 180.0° |
| C28 | C33 | N39 | C35 | 179.7° | 173.9° |
| C28 | C33 | N39 | H39 | 0.3° | 6.0° |
| H28 | C28 | C29 | C30 | 63.7° | 58.7° |
| H28 | C28 | C29 | H291 | 171.0° | 178.6° |
| H28 | C28 | C29 | H292 | 61.6° | 61.2° |
| H28 | C28 | C33 | O34 | 153.9° | 134.8° |
| H28 | C28 | C33 | N39 | 25.8° | 45.2° |
| C30 | C29 | H291 | H292 | 116.6° | 120.1° |
| C29 | C30 | C31 | H301 | 125.3° | 119.8° |
| C29 | C30 | C31 | H302 | 125.3° | 119.8° |
| C29 | C30 | H301 | H302 | 117.8° | 120.2° |
| C29 | C30 | C31 | C32 | 51.4° | 55.6° |
| C29 | C30 | C31 | H311 | 73.9° | 64.4° |
| C29 | C30 | C31 | H312 | 176.7° | 175.5° |
| H291 | C29 | C30 | C31 | 73.0° | 64.4° |
| H291 | C29 | C30 | H301 | 52.3° | 55.5° |
| H291 | C29 | C30 | H302 | 161.8° | 175.8° |
| H292 | C29 | C30 | C31 | 177.5° | 175.5° |
| H292 | C29 | C30 | H301 | 57.3° | 64.6° |
| H292 | C29 | C30 | H302 | 52.2° | 55.7° |
| C31 | C30 | H301 | H302 | 117.8° | 120.3° |
| C30 | C31 | C32 | H311 | 125.3° | 119.9° |
| C30 | C31 | C32 | H312 | 125.3° | 119.9° |
| C30 | C31 | H311 | H312 | 117.5° | 120.1° |
| C30 | C31 | C32 | H321 | 68.9° | 178.5° |
| C30 | C31 | C32 | H322 | 178.4° | 58.7° |
| H301 | C30 | C31 | C32 | 176.7° | 175.4° |
| H301 | C30 | C31 | H311 | 51.4° | 55.5° |
| H301 | C30 | C31 | H312 | 58.1° | 64.6° |
| H302 | C30 | C31 | C32 | 73.9° | 64.2° |
| H302 | C30 | C31 | H311 | 160.8° | 175.9° |
| H302 | C30 | C31 | H312 | 51.4° | 55.7° |
| C32 | C31 | H311 | H312 | 117.5° | 120.2° |
| C31 | C32 | H321 | H322 | 117.1° | 119.8° |
| H311 | C31 | C32 | H321 | 165.8° | 61.6° |
| H311 | C31 | C32 | H322 | 56.3° | 178.6° |
| H312 | C31 | C32 | H321 | 56.4° | 58.6° |
| H312 | C31 | C32 | H322 | 53.1° | 61.2° |
| O34 | C33 | N39 | C35 | 0.7° | 6.1° |
| O34 | C33 | N39 | H39 | 179.3° | 174.0° |
| C33 | N39 | C35 | C36 | 49.8° | 176.9° |
| C33 | N39 | C35 | C37 | 169.5° | 63.1° |
| C33 | N39 | C35 | C38 | 71.5° | 57.0° |
| C33 | N39 | C35 | H39 | 180.0° | 179.9° |
| C36 | C35 | C37 | C38 | 119.1° | 120.0° |
| C36 | C35 | C37 | N39 | 120.9° | 120.0° |
| C36 | C35 | C38 | N39 | 121.9° | 120.0° |
| C35 | C36 | H361 | H362 | 125.3° | 120.0° |
| C35 | C36 | H361 | H363 | 125.3° | 120.0° |
| C35 | C36 | H362 | H363 | 118.5° | 120.0° |
| C36 | C35 | C37 | H371 | 180.0° | 63.8° |
| C36 | C35 | C37 | H372 | 54.7° | 56.2° |
| C36 | C35 | C37 | H373 | 54.7° | 176.2° |
| C36 | C35 | C38 | H381 | 180.0° | 60.0° |
| C36 | C35 | C38 | H382 | 54.7° | 180.0° |
| C36 | C35 | C38 | H383 | 54.7° | 60.0° |
| C36 | C35 | N39 | H39 | 130.1° | 3.0° |
| C37 | C35 | C38 | N39 | 119.6° | 120.0° |
| C37 | C35 | C36 | H361 | 180.0° | 60.0° |
| C37 | C35 | C36 | H362 | 54.8° | 60.0° |
| C37 | C35 | C36 | H363 | 54.8° | 180.0° |
| C35 | C37 | H371 | H372 | 125.2° | 120.0° |
| C35 | C37 | H371 | H373 | 125.2° | 120.0° |
| C35 | C37 | H372 | H373 | 118.4° | 120.0° |
| C37 | C35 | C38 | H381 | 61.6° | 180.0° |
| C37 | C35 | C38 | H382 | 173.2° | 60.0° |
| C37 | C35 | C38 | H383 | 63.8° | 60.0° |
| C37 | C35 | N39 | H39 | 10.5° | 117.0° |
| C38 | C35 | C36 | H361 | 61.7° | 60.0° |
| C38 | C35 | C36 | H362 | 173.0° | 180.0° |
| C38 | C35 | C36 | H363 | 63.5° | 60.0° |
| C38 | C35 | C37 | H371 | 60.9° | 176.2° |
| C38 | C35 | C37 | H372 | 64.4° | 63.7° |
| C38 | C35 | C37 | H373 | 173.8° | 56.2° |
| C35 | C38 | H381 | H382 | 125.2° | 120.0° |
| C35 | C38 | H381 | H383 | 125.3° | 120.0° |
| C35 | C38 | H382 | H383 | 118.0° | 120.0° |
| C38 | C35 | N39 | H39 | 108.5° | 122.9° |
| N39 | C35 | C36 | H361 | 59.8° | 180.0° |
| N39 | C35 | C36 | H362 | 65.4° | 60.0° |
| N39 | C35 | C36 | H363 | 174.9° | 60.0° |
| N39 | C35 | C37 | H371 | 59.1° | 56.2° |
| N39 | C35 | C37 | H372 | 175.6° | 176.2° |
| N39 | C35 | C37 | H373 | 66.2° | 63.8° |
| N39 | C35 | C38 | H381 | 58.0° | 60.0° |
| N39 | C35 | C38 | H382 | 67.2° | 60.0° |
| N39 | C35 | C38 | H383 | 176.6° | 180.0° |
| H361 | C36 | H362 | H363 | 118.4° | 119.9° |
| H371 | C37 | H372 | H373 | 118.6° | 120.0° |
| H381 | C38 | H382 | H383 | 118.1° | 120.0° |
