PI2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C23 | sing | 1.53Å | 1.52Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| 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 | 1.52Å | |
| 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 | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | O11 | doub | 1.21Å | 1.22Å | |
| C10 | N12 | sing | 1.35Å | 1.33Å | |
| N12 | H121 | sing | 0.97Å | 1.02Å | |
| N12 | H122 | sing | 0.97Å | 1.02Å | |
| N13 | C14 | sing | 1.46Å | 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 | 1.51Å | |
| 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 | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.39Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | O22 | sing | 1.36Å | 1.37Å | |
| O22 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| O25 | H25 | sing | 0.97Å | 0.95Å | |
| C26 | N27 | sing | 1.47Å | 1.47Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| N27 | C28 | sing | 1.47Å | 1.47Å | |
| N27 | H27 | sing | 1.01Å | 1.02Å | |
| C28 | C29 | sing | 1.53Å | 1.50Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | 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 | 1.51Å | |
| C30 | C32 | sing | 1.53Å | 1.51Å | |
| C30 | H30 | sing | 1.09Å | 1.12Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C32 | H323 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C23 | 110.5° | 109.5° |
| C4 | C1 | H11 | 111.8° | 109.5° |
| C4 | C1 | H12 | 111.8° | 109.4° |
| C1 | C4 | C2 | 113.4° | 109.5° |
| C1 | C4 | H41 | 110.8° | 109.5° |
| C1 | C4 | H42 | 110.8° | 109.5° |
| C23 | C1 | H11 | 111.8° | 109.5° |
| C23 | C1 | H12 | 111.8° | 109.5° |
| C1 | C23 | O22 | 111.3° | 109.5° |
| C1 | C23 | H231 | 111.5° | 109.5° |
| C1 | C23 | H232 | 111.5° | 109.4° |
| H11 | C1 | H12 | 98.6° | 109.4° |
| O3 | C2 | C4 | 120.5° | 120.5° |
| O3 | C2 | N5 | 123.1° | 120.6° |
| C4 | C2 | N5 | 116.4° | 118.9° |
| C2 | C4 | H41 | 110.8° | 109.5° |
| C2 | C4 | H42 | 110.8° | 109.5° |
| C2 | N5 | C6 | 122.0° | 115.9° |
| C2 | N5 | HN5 | 113.8° | 122.1° |
| H41 | C4 | H42 | 99.5° | 109.4° |
| C6 | N5 | HN5 | 124.2° | 122.0° |
| N5 | C6 | C7 | 114.2° | 108.7° |
| N5 | C6 | C9 | 109.0° | 109.5° |
| N5 | C6 | H6 | 107.0° | 109.6° |
| C7 | C6 | C9 | 110.7° | 109.7° |
| C7 | C6 | H6 | 105.1° | 109.6° |
| C6 | C7 | O8 | 121.1° | 120.0° |
| C6 | C7 | N13 | 115.5° | 120.1° |
| C9 | C6 | H6 | 110.8° | 109.6° |
| C6 | C9 | C10 | 112.0° | 109.5° |
| C6 | C9 | H91 | 111.3° | 109.5° |
| C6 | C9 | H92 | 111.3° | 109.4° |
| O8 | C7 | N13 | 123.4° | 119.9° |
| C7 | N13 | C14 | 122.6° | 120.4° |
| C7 | N13 | H13 | 113.4° | 119.8° |
| C10 | C9 | H91 | 111.3° | 109.5° |
| C10 | C9 | H92 | 111.3° | 109.4° |
| C9 | C10 | O11 | 120.4° | 120.0° |
| C9 | C10 | N12 | 116.8° | 120.0° |
| H91 | C9 | H92 | 99.1° | 109.5° |
| O11 | C10 | N12 | 122.7° | 120.0° |
| C10 | N12 | H121 | 122.7° | 120.1° |
| C10 | N12 | H122 | 116.8° | 120.0° |
| H121 | N12 | H122 | 120.3° | 120.0° |
| C14 | N13 | H13 | 124.0° | 119.8° |
| N13 | C14 | C15 | 108.3° | 109.3° |
| N13 | C14 | C24 | 112.0° | 109.5° |
| N13 | C14 | H14 | 108.8° | 109.5° |
| C15 | C14 | C24 | 110.4° | 109.5° |
| C15 | C14 | H14 | 110.6° | 109.5° |
| C14 | C15 | C16 | 112.1° | 109.1° |
| C14 | C15 | H151 | 111.2° | 109.5° |
| C14 | C15 | H152 | 111.2° | 109.5° |
| C24 | C14 | H14 | 106.7° | 109.5° |
| C14 | C24 | O25 | 109.8° | 109.5° |
| C14 | C24 | C26 | 110.9° | 109.5° |
| C14 | C24 | H24 | 108.3° | 109.4° |
| C16 | C15 | H151 | 111.2° | 109.6° |
| C16 | C15 | H152 | 111.2° | 109.5° |
| C15 | C16 | C17 | 120.6° | 119.9° |
| C15 | C16 | C19 | 120.9° | 120.0° |
| H151 | C15 | H152 | 99.1° | 109.6° |
| C17 | C16 | C19 | 118.4° | 120.2° |
| C16 | C17 | C18 | 121.2° | 120.0° |
| C16 | C17 | H17 | 119.9° | 119.9° |
| C16 | C19 | C20 | 121.0° | 120.0° |
| C16 | C19 | H19 | 119.9° | 120.0° |
| C18 | C17 | H17 | 118.9° | 120.1° |
| C17 | C18 | C21 | 119.3° | 120.0° |
| C17 | C18 | H18 | 120.2° | 120.0° |
| C21 | C18 | H18 | 120.5° | 120.0° |
| C18 | C21 | C20 | 120.6° | 119.9° |
| C18 | C21 | O22 | 119.6° | 120.1° |
| C20 | C19 | H19 | 119.1° | 120.0° |
| C19 | C20 | C21 | 119.5° | 120.0° |
| C19 | C20 | H20 | 120.1° | 120.0° |
| C21 | C20 | H20 | 120.4° | 120.1° |
| C20 | C21 | O22 | 119.7° | 120.1° |
| C21 | O22 | C23 | 118.8° | 106.8° |
| O22 | C23 | H231 | 111.6° | 109.4° |
| O22 | C23 | H232 | 111.6° | 109.5° |
| H231 | C23 | H232 | 98.8° | 109.5° |
| O25 | C24 | C26 | 109.3° | 109.5° |
| O25 | C24 | H24 | 109.8° | 109.5° |
| C24 | O25 | H25 | 109.7° | 106.7° |
| C26 | C24 | H24 | 108.8° | 109.4° |
| C24 | C26 | N27 | 112.5° | 109.5° |
| C24 | C26 | H261 | 111.0° | 109.4° |
| C24 | C26 | H262 | 111.1° | 109.5° |
| N27 | C26 | H261 | 111.1° | 109.4° |
| N27 | C26 | H262 | 111.1° | 109.5° |
| C26 | N27 | C28 | 104.8° | 106.7° |
| C26 | N27 | H27 | 114.0° | 106.6° |
| H261 | C26 | H262 | 99.3° | 109.5° |
| C28 | N27 | H27 | 114.0° | 106.6° |
| N27 | C28 | C29 | 102.1° | 109.5° |
| N27 | C28 | H281 | 115.0° | 109.4° |
| N27 | C28 | H282 | 115.0° | 109.5° |
| C29 | C28 | H281 | 115.0° | 109.4° |
| C29 | C28 | H282 | 115.0° | 109.5° |
| C28 | C29 | C30 | 113.7° | 109.5° |
| C28 | C29 | H291 | 110.6° | 109.4° |
| C28 | C29 | H292 | 110.7° | 109.5° |
| H281 | C28 | H282 | 95.5° | 109.5° |
| C30 | C29 | H291 | 110.7° | 109.5° |
| C30 | C29 | H292 | 110.6° | 109.5° |
| C29 | C30 | C31 | 107.8° | 109.5° |
| C29 | C30 | C32 | 110.0° | 109.4° |
| C29 | C30 | H30 | 110.9° | 109.5° |
| H291 | C29 | H292 | 99.6° | 109.4° |
| C31 | C30 | C32 | 111.4° | 109.5° |
| C31 | C30 | H30 | 109.5° | 109.4° |
| C30 | C31 | H311 | 107.8° | 109.5° |
| C30 | C31 | H312 | 112.8° | 109.5° |
| C30 | C31 | H313 | 112.9° | 109.4° |
| C32 | C30 | H30 | 107.4° | 109.5° |
| C30 | C32 | H321 | 109.9° | 109.5° |
| C30 | C32 | H322 | 112.0° | 109.5° |
| C30 | C32 | H323 | 112.0° | 109.5° |
| H311 | C31 | H312 | 112.7° | 109.5° |
| H311 | C31 | H313 | 112.9° | 109.5° |
| H312 | C31 | H313 | 97.6° | 109.5° |
| H321 | C32 | H322 | 112.0° | 109.5° |
| H321 | C32 | H323 | 112.1° | 109.5° |
| H322 | C32 | H323 | 98.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C23 | H11 | 125.2° | 120.0° |
| C4 | C1 | C23 | H12 | 125.3° | 120.0° |
| C4 | C1 | H11 | H12 | 117.7° | 120.0° |
| C1 | C4 | C2 | O3 | 63.0° | 58.0° |
| C1 | C4 | C2 | H41 | 125.3° | 120.0° |
| C1 | C4 | C2 | H42 | 125.3° | 120.0° |
| C1 | C4 | C2 | N5 | 116.1° | 122.0° |
| C1 | C4 | H41 | H42 | 116.7° | 120.0° |
| C4 | C1 | C23 | O22 | 130.6° | 141.6° |
| C4 | C1 | C23 | H231 | 5.3° | 98.4° |
| C4 | C1 | C23 | H232 | 104.0° | 21.5° |
| C23 | C1 | H11 | H12 | 117.7° | 120.0° |
| C23 | C1 | C4 | C2 | 102.1° | 109.3° |
| C23 | C1 | C4 | H41 | 132.6° | 130.7° |
| C23 | C1 | C4 | H42 | 23.2° | 10.7° |
| C1 | C23 | O22 | C21 | 73.6° | 85.7° |
| C1 | C23 | O22 | H231 | 125.3° | 120.0° |
| C1 | C23 | O22 | H232 | 125.3° | 120.0° |
| C1 | C23 | H231 | H232 | 117.4° | 119.9° |
| H11 | C1 | C4 | C2 | 132.7° | 10.8° |
| H11 | C1 | C4 | H41 | 7.4° | 109.3° |
| H11 | C1 | C4 | H42 | 102.1° | 130.8° |
| H11 | C1 | C23 | O22 | 104.1° | 21.5° |
| H11 | C1 | C23 | H231 | 130.6° | 141.5° |
| H11 | C1 | C23 | H232 | 21.2° | 98.5° |
| H12 | C1 | C4 | C2 | 23.2° | 130.7° |
| H12 | C1 | C4 | H41 | 102.1° | 10.7° |
| H12 | C1 | C4 | H42 | 148.4° | 109.3° |
| H12 | C1 | C23 | O22 | 5.4° | 98.4° |
| H12 | C1 | C23 | H231 | 119.9° | 21.6° |
| H12 | C1 | C23 | H232 | 130.7° | 141.5° |
| O3 | C2 | C4 | N5 | 179.1° | 180.0° |
| O3 | C2 | C4 | H41 | 62.2° | 62.0° |
| O3 | C2 | C4 | H42 | 171.6° | 178.0° |
| O3 | C2 | N5 | C6 | 2.1° | 0.1° |
| O3 | C2 | N5 | HN5 | 177.9° | 179.8° |
| C2 | C4 | H41 | H42 | 116.6° | 120.0° |
| C4 | C2 | N5 | C6 | 178.8° | 179.9° |
| C4 | C2 | N5 | HN5 | 1.2° | 0.2° |
| N5 | C2 | C4 | H41 | 118.7° | 118.0° |
| N5 | C2 | C4 | H42 | 9.2° | 2.0° |
| C2 | N5 | C6 | HN5 | 180.0° | 179.9° |
| C2 | N5 | C6 | C7 | 122.3° | 130.7° |
| C2 | N5 | C6 | C9 | 113.3° | 109.4° |
| C2 | N5 | C6 | H6 | 6.5° | 10.9° |
| N5 | C6 | C7 | C9 | 123.4° | 119.8° |
| N5 | C6 | C7 | H6 | 117.0° | 119.8° |
| N5 | C6 | C9 | H6 | 117.4° | 120.2° |
| N5 | C6 | C7 | O8 | 71.3° | 86.7° |
| N5 | C6 | C7 | N13 | 110.0° | 93.4° |
| N5 | C6 | C9 | C10 | 55.2° | 60.1° |
| N5 | C6 | C9 | H91 | 70.0° | 60.0° |
| N5 | C6 | C9 | H92 | 179.5° | 180.0° |
| HN5 | N5 | C6 | C7 | 57.7° | 49.4° |
| HN5 | N5 | C6 | C9 | 66.6° | 70.5° |
| HN5 | N5 | C6 | H6 | 173.6° | 169.2° |
| C7 | C6 | C9 | H6 | 116.2° | 120.4° |
| C6 | C7 | O8 | N13 | 178.6° | 179.9° |
| C7 | C6 | C9 | C10 | 178.4° | 179.4° |
| C7 | C6 | C9 | H91 | 56.4° | 59.3° |
| C7 | C6 | C9 | H92 | 53.1° | 60.7° |
| C6 | C7 | N13 | C14 | 179.0° | 180.0° |
| C6 | C7 | N13 | H13 | 1.0° | 0.1° |
| C9 | C6 | C7 | O8 | 52.1° | 33.1° |
| C9 | C6 | C7 | N13 | 126.6° | 146.8° |
| C6 | C9 | C10 | H91 | 125.2° | 120.1° |
| C6 | C9 | C10 | H92 | 125.3° | 119.9° |
| C6 | C9 | H91 | H92 | 117.2° | 120.0° |
| C6 | C9 | C10 | O11 | 82.2° | 0.1° |
| C6 | C9 | C10 | N12 | 94.2° | 180.0° |
| H6 | C6 | C7 | O8 | 171.8° | 153.5° |
| H6 | C6 | C7 | N13 | 6.9° | 26.4° |
| H6 | C6 | C9 | C10 | 62.2° | 60.2° |
| H6 | C6 | C9 | H91 | 172.6° | 179.7° |
| H6 | C6 | C9 | H92 | 63.1° | 59.7° |
| O8 | C7 | N13 | C14 | 2.4° | 0.1° |
| O8 | C7 | N13 | H13 | 177.6° | 179.9° |
| C7 | N13 | C14 | H13 | 180.0° | 179.8° |
| C7 | N13 | C14 | C15 | 120.4° | 138.8° |
| C7 | N13 | C14 | C24 | 117.6° | 101.3° |
| C7 | N13 | C14 | H14 | 0.2° | 18.9° |
| C10 | C9 | H91 | H92 | 117.1° | 120.0° |
| C9 | C10 | O11 | N12 | 176.2° | 179.9° |
| C9 | C10 | N12 | H121 | 3.7° | 179.9° |
| C9 | C10 | N12 | H122 | 179.9° | 0.1° |
| H91 | C9 | C10 | O11 | 152.5° | 119.9° |
| H91 | C9 | C10 | N12 | 31.1° | 59.9° |
| H92 | C9 | C10 | O11 | 43.1° | 120.0° |
| H92 | C9 | C10 | N12 | 140.5° | 60.1° |
| O11 | C10 | N12 | H121 | 180.0° | 0.2° |
| O11 | C10 | N12 | H122 | 3.7° | 180.0° |
| C10 | N12 | H121 | H122 | 176.1° | 179.8° |
| N13 | C14 | C15 | C24 | 123.0° | 120.0° |
| N13 | C14 | C15 | H14 | 119.1° | 119.9° |
| N13 | C14 | C24 | H14 | 119.0° | 120.1° |
| N13 | C14 | C15 | C16 | 38.6° | 25.9° |
| N13 | C14 | C15 | H151 | 86.7° | 94.1° |
| N13 | C14 | C15 | H152 | 163.8° | 145.7° |
| N13 | C14 | C24 | O25 | 59.7° | 179.9° |
| N13 | C14 | C24 | C26 | 179.4° | 60.0° |
| N13 | C14 | C24 | H24 | 60.2° | 59.9° |
| H13 | N13 | C14 | C15 | 59.6° | 41.1° |
| H13 | N13 | C14 | C24 | 62.4° | 78.9° |
| H13 | N13 | C14 | H14 | 179.8° | 161.0° |
| C15 | C14 | C24 | H14 | 120.2° | 120.1° |
| C14 | C15 | C16 | H151 | 125.2° | 119.9° |
| C14 | C15 | C16 | H152 | 125.3° | 119.9° |
| C14 | C15 | H151 | H152 | 117.1° | 120.2° |
| C14 | C15 | C16 | C17 | 98.7° | 72.0° |
| C14 | C15 | C16 | C19 | 76.7° | 108.0° |
| C15 | C14 | C24 | O25 | 61.1° | 60.0° |
| C15 | C14 | C24 | C26 | 59.8° | 179.8° |
| C15 | C14 | C24 | H24 | 179.0° | 59.9° |
| C24 | C14 | C15 | C16 | 161.6° | 145.8° |
| C24 | C14 | C15 | H151 | 36.3° | 25.9° |
| C24 | C14 | C15 | H152 | 73.1° | 94.3° |
| C14 | C24 | O25 | C26 | 121.8° | 120.1° |
| C14 | C24 | O25 | H24 | 118.9° | 119.9° |
| C14 | C24 | C26 | H24 | 118.9° | 119.9° |
| C14 | C24 | O25 | H25 | 180.0° | 60.1° |
| C14 | C24 | C26 | N27 | 68.5° | 180.0° |
| C14 | C24 | C26 | H261 | 56.8° | 60.1° |
| C14 | C24 | C26 | H262 | 166.3° | 59.9° |
| H14 | C14 | C15 | C16 | 80.5° | 94.1° |
| H14 | C14 | C15 | H151 | 154.2° | 146.0° |
| H14 | C14 | C15 | H152 | 44.7° | 25.8° |
| H14 | C14 | C24 | O25 | 178.7° | 60.0° |
| H14 | C14 | C24 | C26 | 60.4° | 60.1° |
| H14 | C14 | C24 | H24 | 58.8° | 180.0° |
| C16 | C15 | H151 | H152 | 117.1° | 120.2° |
| C15 | C16 | C17 | C19 | 175.5° | 179.9° |
| C15 | C16 | C17 | C18 | 175.0° | 179.7° |
| C15 | C16 | C17 | H17 | 5.0° | 0.3° |
| C15 | C16 | C19 | C20 | 174.9° | 179.7° |
| C15 | C16 | C19 | H19 | 5.1° | 0.3° |
| H151 | C15 | C16 | C17 | 26.5° | 168.1° |
| H151 | C15 | C16 | C19 | 158.1° | 12.0° |
| H152 | C15 | C16 | C17 | 136.0° | 47.9° |
| H152 | C15 | C16 | C19 | 48.6° | 132.2° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C21 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C16 | C19 | C20 | 0.7° | 0.3° |
| C17 | C16 | C19 | H19 | 179.4° | 179.8° |
| C19 | C16 | C17 | C18 | 0.6° | 0.3° |
| C19 | C16 | C17 | H17 | 179.4° | 179.7° |
| C16 | C19 | C20 | H19 | 180.0° | 180.0° |
| C16 | C19 | C20 | C21 | 0.3° | 0.0° |
| C16 | C19 | C20 | H20 | 179.6° | 179.9° |
| C17 | C18 | C21 | H18 | 180.0° | 180.0° |
| C17 | C18 | C21 | C20 | 0.2° | 0.3° |
| C17 | C18 | C21 | O22 | 178.8° | 179.7° |
| H17 | C17 | C18 | C21 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.2° | 0.0° |
| C18 | C21 | C20 | C19 | 0.1° | 0.3° |
| C18 | C21 | C20 | O22 | 179.0° | 180.0° |
| C18 | C21 | C20 | H20 | 179.9° | 179.7° |
| C18 | C21 | O22 | C23 | 90.8° | 51.6° |
| H18 | C18 | C21 | C20 | 179.8° | 179.7° |
| H18 | C18 | C21 | O22 | 1.1° | 0.3° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | O22 | 178.9° | 179.7° |
| H19 | C19 | C20 | C21 | 179.7° | 180.0° |
| H19 | C19 | C20 | H20 | 0.3° | 0.1° |
| C20 | C21 | O22 | C23 | 88.2° | 128.4° |
| H20 | C20 | C21 | O22 | 1.0° | 0.3° |
| C21 | O22 | C23 | H231 | 51.6° | 154.3° |
| C21 | O22 | C23 | H232 | 161.1° | 34.3° |
| O22 | C23 | H231 | H232 | 117.4° | 120.0° |
| O25 | C24 | C26 | H24 | 119.9° | 120.0° |
| O25 | C24 | C26 | N27 | 170.4° | 59.9° |
| O25 | C24 | C26 | H261 | 64.4° | 60.0° |
| O25 | C24 | C26 | H262 | 45.1° | 180.0° |
| C26 | C24 | O25 | H25 | 58.2° | 60.0° |
| C24 | C26 | N27 | H261 | 125.2° | 119.9° |
| C24 | C26 | N27 | H262 | 125.3° | 120.1° |
| C24 | C26 | H261 | H262 | 117.0° | 120.0° |
| C24 | C26 | N27 | C28 | 109.1° | 180.0° |
| C24 | C26 | N27 | H27 | 125.6° | 66.3° |
| H24 | C24 | O25 | H25 | 61.1° | 180.0° |
| H24 | C24 | C26 | N27 | 50.4° | 60.1° |
| H24 | C24 | C26 | H261 | 175.7° | 180.0° |
| H24 | C24 | C26 | H262 | 74.8° | 60.0° |
| N27 | C26 | H261 | H262 | 117.0° | 120.0° |
| C26 | N27 | C28 | H27 | 125.3° | 113.7° |
| C26 | N27 | C28 | C29 | 124.9° | 180.0° |
| C26 | N27 | C28 | H281 | 109.9° | 60.1° |
| C26 | N27 | C28 | H282 | 0.3° | 59.9° |
| H261 | C26 | N27 | C28 | 125.7° | 60.1° |
| H261 | C26 | N27 | H27 | 0.4° | 173.8° |
| H262 | C26 | N27 | C28 | 16.1° | 59.9° |
| H262 | C26 | N27 | H27 | 109.1° | 53.8° |
| N27 | C28 | C29 | H281 | 125.3° | 119.9° |
| N27 | C28 | C29 | H282 | 125.2° | 120.1° |
| N27 | C28 | H281 | H282 | 120.9° | 120.0° |
| N27 | C28 | C29 | C30 | 142.0° | 179.9° |
| N27 | C28 | C29 | H291 | 16.8° | 60.1° |
| N27 | C28 | C29 | H292 | 92.7° | 59.9° |
| H27 | N27 | C28 | C29 | 109.8° | 66.3° |
| H27 | N27 | C28 | H281 | 15.4° | 173.8° |
| H27 | N27 | C28 | H282 | 124.9° | 53.8° |
| C29 | C28 | H281 | H282 | 120.9° | 120.0° |
| C28 | C29 | C30 | H291 | 125.2° | 120.0° |
| C28 | C29 | C30 | H292 | 125.3° | 120.1° |
| C28 | C29 | H291 | H292 | 116.6° | 120.0° |
| C28 | C29 | C30 | C31 | 164.9° | 180.0° |
| C28 | C29 | C30 | C32 | 73.5° | 60.0° |
| C28 | C29 | C30 | H30 | 45.1° | 60.0° |
| H281 | C28 | C29 | C30 | 92.7° | 60.0° |
| H281 | C28 | C29 | H291 | 142.0° | NaN° |
| H281 | C28 | C29 | H292 | 32.6° | 60.1° |
| H282 | C28 | C29 | C30 | 16.8° | 60.0° |
| H282 | C28 | C29 | H291 | 108.5° | 60.0° |
| H282 | C28 | C29 | H292 | 142.0° | 180.0° |
| C30 | C29 | H291 | H292 | 116.5° | 120.0° |
| C29 | C30 | C31 | C32 | 120.7° | 120.0° |
| C29 | C30 | C31 | H30 | 120.7° | 120.0° |
| C29 | C30 | C32 | H30 | 120.7° | 120.0° |
| C29 | C30 | C31 | H311 | 180.0° | 180.0° |
| C29 | C30 | C31 | H312 | 54.8° | 60.0° |
| C29 | C30 | C31 | H313 | 54.7° | 60.0° |
| C29 | C30 | C32 | H321 | 180.0° | 60.0° |
| C29 | C30 | C32 | H322 | 54.8° | 60.0° |
| C29 | C30 | C32 | H323 | 54.7° | 179.9° |
| H291 | C29 | C30 | C31 | 39.7° | 60.0° |
| H291 | C29 | C30 | C32 | 161.3° | 60.0° |
| H291 | C29 | C30 | H30 | 80.2° | 180.0° |
| H292 | C29 | C30 | C31 | 69.8° | 60.0° |
| H292 | C29 | C30 | C32 | 51.8° | 180.0° |
| H292 | C29 | C30 | H30 | 170.4° | 60.0° |
| C31 | C30 | C32 | H30 | 119.8° | 119.9° |
| C30 | C31 | H311 | H312 | 125.2° | 120.0° |
| C30 | C31 | H311 | H313 | 125.4° | 120.0° |
| C30 | C31 | H312 | H313 | 118.8° | 120.0° |
| C31 | C30 | C32 | H321 | 60.6° | 60.0° |
| C31 | C30 | C32 | H322 | 64.7° | 180.0° |
| C31 | C30 | C32 | H323 | 174.2° | 60.0° |
| C32 | C30 | C31 | H311 | 59.3° | 60.0° |
| C32 | C30 | C31 | H312 | 175.5° | 180.0° |
| C32 | C30 | C31 | H313 | 66.0° | 60.0° |
| C30 | C32 | H321 | H322 | 125.2° | 120.0° |
| C30 | C32 | H321 | H323 | 125.2° | 120.0° |
| C30 | C32 | H322 | H323 | 117.9° | 120.0° |
| H30 | C30 | C31 | H311 | 59.2° | 60.0° |
| H30 | C30 | C31 | H312 | 66.0° | 60.0° |
| H30 | C30 | C31 | H313 | 175.4° | 180.0° |
| H30 | C30 | C32 | H321 | 59.3° | 179.9° |
| H30 | C30 | C32 | H322 | 175.5° | 60.0° |
| H30 | C30 | C32 | H323 | 66.0° | 59.9° |
| H311 | C31 | H312 | H313 | 118.7° | 120.0° |
| H321 | C32 | H322 | H323 | 118.0° | 120.0° |
