GR3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C10 | sing | 1.53Å | 1.53Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.52Å | 1.53Å | |
| C2 | H21A | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.10Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | O36 | sing | 1.45Å | 1.46Å | |
| C3 | H3 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.51Å | 1.56Å | |
| C4 | C29 | sing | 1.52Å | 1.54Å | |
| C4 | C30 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| C5 | C10 | sing | 1.52Å | 1.56Å | |
| C5 | H5 | sing | 1.12Å | 1.11Å | |
| C6 | C7 | sing | 1.50Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C8 | doub | 1.30Å | 1.35Å | |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C14 | sing | 1.50Å | 1.48Å | |
| C9 | C10 | sing | 1.53Å | 1.57Å | |
| C9 | C11 | sing | 1.52Å | 1.50Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C10 | C19 | sing | 1.52Å | 1.55Å | |
| C11 | C12 | sing | 1.54Å | 1.52Å | |
| C11 | H111 | sing | 1.10Å | 1.11Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.50Å | 1.52Å | |
| C12 | H121 | sing | 1.10Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C13 | C17 | sing | 1.54Å | 1.56Å | |
| C13 | C18 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C14 | C28 | sing | 1.54Å | 1.53Å | |
| C15 | C16 | sing | 1.55Å | 1.56Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C16 | O32 | sing | 1.43Å | 1.45Å | |
| C16 | H16 | sing | 1.09Å | 1.11Å | |
| C17 | C20 | sing | 1.53Å | 1.53Å | |
| C17 | H17 | sing | 1.08Å | 1.12Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.12Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.51Å | 1.49Å | |
| C22 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.46Å | 1.48Å | |
| C23 | O35 | doub | 1.21Å | 1.21Å | |
| C24 | C25 | doub | 1.33Å | 1.35Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.50Å | |
| C25 | C27 | sing | 1.51Å | 1.52Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.09Å | 1.12Å | |
| C27 | H273 | sing | 1.09Å | 1.12Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C29 | O31 | doub | 1.21Å | 1.20Å | |
| C29 | O34 | sing | 1.34Å | 1.22Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.12Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| O32 | HO3 | sing | 0.97Å | 0.95Å | |
| O33 | C21 | doub | 1.21Å | 1.22Å | |
| O34 | HO4 | sing | 0.97Å | 0.95Å | |
| O36 | C37 | sing | 1.34Å | 1.38Å | |
| C37 | C38 | sing | 1.51Å | 1.53Å | |
| C37 | O39 | doub | 1.21Å | 1.24Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C38 | H383 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | H20 | sing | 1.09Å | 1.11Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 113.1° | 110.8° |
| C2 | C1 | H11 | 110.9° | 109.2° |
| C2 | C1 | H12 | 110.9° | 109.5° |
| C1 | C2 | C3 | 110.0° | 109.7° |
| C1 | C2 | H21A | 112.0° | 110.7° |
| C1 | C2 | H22 | 112.0° | 108.7° |
| C10 | C1 | H11 | 110.9° | 109.4° |
| C10 | C1 | H12 | 110.8° | 109.2° |
| C1 | C10 | C5 | 110.2° | 111.3° |
| C1 | C10 | C9 | 109.4° | 107.8° |
| C1 | C10 | C19 | 108.3° | 110.1° |
| H11 | C1 | H12 | 99.4° | 108.7° |
| C3 | C2 | H21A | 112.0° | 110.8° |
| C3 | C2 | H22 | 112.0° | 108.8° |
| C2 | C3 | C4 | 110.3° | 110.8° |
| C2 | C3 | O36 | 107.8° | 109.7° |
| C2 | C3 | H3 | 110.7° | 109.4° |
| H21A | C2 | H22 | 98.4° | 108.1° |
| C4 | C3 | O36 | 111.3° | 109.3° |
| C4 | C3 | H3 | 107.1° | 108.9° |
| C3 | C4 | C5 | 110.8° | 111.7° |
| C3 | C4 | C29 | 107.8° | 106.7° |
| C3 | C4 | C30 | 109.8° | 109.4° |
| O36 | C3 | H3 | 109.7° | 108.8° |
| C3 | O36 | C37 | 124.4° | 120.0° |
| C5 | C4 | C29 | 110.3° | 108.4° |
| C5 | C4 | C30 | 113.4° | 113.0° |
| C4 | C5 | C6 | 114.6° | 112.1° |
| C4 | C5 | C10 | 115.7° | 115.4° |
| C4 | C5 | H5 | 101.4° | 106.6° |
| C29 | C4 | C30 | 104.3° | 107.3° |
| C4 | C29 | O31 | 121.3° | 120.0° |
| C4 | C29 | O34 | 119.2° | 120.0° |
| C4 | C30 | H301 | 109.8° | 109.5° |
| C4 | C30 | H302 | 112.1° | 109.5° |
| C4 | C30 | H303 | 112.1° | 109.5° |
| C6 | C5 | C10 | 111.1° | 110.0° |
| C6 | C5 | H5 | 107.0° | 106.1° |
| C5 | C6 | C7 | 112.8° | 110.7° |
| C5 | C6 | H61 | 111.0° | 109.6° |
| C5 | C6 | H62 | 111.0° | 111.6° |
| C10 | C5 | H5 | 105.7° | 105.9° |
| C5 | C10 | C9 | 105.6° | 106.7° |
| C5 | C10 | C19 | 111.6° | 112.1° |
| C7 | C6 | H61 | 111.0° | 107.8° |
| C7 | C6 | H62 | 111.0° | 108.6° |
| C6 | C7 | C8 | 123.5° | 124.0° |
| C6 | C7 | H7 | 124.8° | 117.9° |
| H61 | C6 | H62 | 99.3° | 108.5° |
| C8 | C7 | H7 | 111.7° | 118.1° |
| C7 | C8 | C9 | 122.4° | 122.7° |
| C7 | C8 | C14 | 120.7° | 121.1° |
| C9 | C8 | C14 | 116.9° | 116.2° |
| C8 | C9 | C10 | 109.9° | 111.1° |
| C8 | C9 | C11 | 112.5° | 111.2° |
| C8 | C9 | H9 | 108.1° | 108.0° |
| C8 | C14 | C13 | 111.3° | 107.8° |
| C8 | C14 | C15 | 121.0° | 115.6° |
| C8 | C14 | C28 | 101.7° | 110.3° |
| C10 | C9 | C11 | 112.4° | 113.3° |
| C10 | C9 | H9 | 108.3° | 104.5° |
| C9 | C10 | C19 | 111.9° | 108.8° |
| C11 | C9 | H9 | 105.3° | 108.3° |
| C9 | C11 | C12 | 114.8° | 112.1° |
| C9 | C11 | H111 | 110.3° | 109.3° |
| C9 | C11 | H112 | 110.3° | 110.8° |
| C10 | C19 | H191 | 108.3° | 109.5° |
| C10 | C19 | H192 | 112.7° | 109.5° |
| C10 | C19 | H193 | 112.7° | 109.5° |
| C12 | C11 | H111 | 110.3° | 108.3° |
| C12 | C11 | H112 | 110.3° | 108.5° |
| C11 | C12 | C13 | 115.4° | 112.3° |
| C11 | C12 | H121 | 110.1° | 108.6° |
| C11 | C12 | H122 | 110.1° | 109.2° |
| H111 | C11 | H112 | 100.0° | 107.6° |
| C13 | C12 | H121 | 110.1° | 109.2° |
| C13 | C12 | H122 | 110.1° | 109.9° |
| C12 | C13 | C14 | 108.9° | 111.8° |
| C12 | C13 | C17 | 114.5° | 116.3° |
| C12 | C13 | C18 | 109.9° | 109.9° |
| H121 | C12 | H122 | 100.1° | 107.6° |
| C14 | C13 | C17 | 101.7° | 101.3° |
| C14 | C13 | C18 | 113.7° | 111.0° |
| C13 | C14 | C15 | 102.4° | 101.4° |
| C13 | C14 | C28 | 116.3° | 112.0° |
| C17 | C13 | C18 | 108.0° | 106.1° |
| C13 | C17 | C16 | 103.4° | 103.6° |
| C13 | C17 | C20 | 116.4° | 109.6° |
| C13 | C17 | H17 | 110.8° | 110.7° |
| C13 | C18 | H181 | 109.8° | 109.4° |
| C13 | C18 | H182 | 112.1° | 109.5° |
| C13 | C18 | H183 | 112.1° | 109.5° |
| C15 | C14 | C28 | 104.8° | 109.4° |
| C14 | C15 | C16 | 106.4° | 103.4° |
| C14 | C15 | H151 | 113.4° | 111.6° |
| C14 | C15 | H152 | 113.4° | 110.0° |
| C14 | C28 | H281 | 101.7° | 109.5° |
| C14 | C28 | H282 | 115.2° | 109.5° |
| C14 | C28 | H283 | 115.2° | 109.5° |
| C16 | C15 | H151 | 113.3° | 111.4° |
| C16 | C15 | H152 | 113.4° | 110.3° |
| C15 | C16 | C17 | 104.7° | 106.7° |
| C15 | C16 | O32 | 113.7° | 110.3° |
| C15 | C16 | H16 | 111.9° | 110.0° |
| H151 | C15 | H152 | 97.1° | 110.0° |
| C17 | C16 | O32 | 114.7° | 110.2° |
| C17 | C16 | H16 | 110.9° | 109.9° |
| C16 | C17 | C20 | 114.1° | 110.3° |
| C16 | C17 | H17 | 113.2° | 111.5° |
| O32 | C16 | H16 | 101.2° | 109.7° |
| C16 | O32 | HO3 | 113.8° | 106.8° |
| C20 | C17 | H17 | 99.3° | 110.9° |
| C17 | C20 | C22 | 112.7° | 109.5° |
| C17 | C20 | C21 | 117.2° | 109.5° |
| C17 | C20 | H20 | 99.3° | 109.5° |
| H181 | C18 | H182 | 112.1° | 109.5° |
| H181 | C18 | H183 | 112.0° | 109.5° |
| H182 | C18 | H183 | 98.4° | 109.5° |
| H191 | C19 | H192 | 112.6° | 109.4° |
| H191 | C19 | H193 | 112.6° | 109.4° |
| H192 | C19 | H193 | 97.8° | 109.5° |
| C23 | C22 | C20 | 112.4° | 109.5° |
| C23 | C22 | H221 | 111.1° | 109.5° |
| C23 | C22 | H222 | 111.1° | 109.5° |
| C22 | C23 | C24 | 118.7° | 120.0° |
| C22 | C23 | O35 | 120.9° | 120.0° |
| C20 | C22 | H221 | 111.1° | 109.5° |
| C20 | C22 | H222 | 111.1° | 109.4° |
| C22 | C20 | C21 | 100.4° | 109.4° |
| C22 | C20 | H20 | 116.4° | 109.5° |
| H221 | C22 | H222 | 99.2° | 109.5° |
| C24 | C23 | O35 | 120.4° | 120.0° |
| C23 | C24 | C25 | 126.1° | 120.0° |
| C23 | C24 | H24 | 122.2° | 120.0° |
| C25 | C24 | H24 | 111.7° | 120.0° |
| C24 | C25 | C26 | 119.1° | 120.1° |
| C24 | C25 | C27 | 126.1° | 120.0° |
| C26 | C25 | C27 | 114.8° | 120.0° |
| C25 | C26 | H261 | 119.1° | 109.5° |
| C25 | C26 | H262 | 108.8° | 109.4° |
| C25 | C26 | H263 | 108.8° | 109.4° |
| C25 | C27 | H271 | 126.1° | 109.5° |
| C25 | C27 | H272 | 106.3° | 109.5° |
| C25 | C27 | H273 | 106.3° | 109.4° |
| H261 | C26 | H262 | 108.8° | 109.5° |
| H261 | C26 | H263 | 108.7° | 109.5° |
| H262 | C26 | H263 | 101.2° | 109.5° |
| H271 | C27 | H272 | 106.3° | 109.5° |
| H271 | C27 | H273 | 106.5° | 109.5° |
| H272 | C27 | H273 | 103.1° | 109.5° |
| H281 | C28 | H282 | 115.2° | 109.5° |
| H281 | C28 | H283 | 115.2° | 109.5° |
| H282 | C28 | H283 | 95.3° | 109.4° |
| O31 | C29 | O34 | 119.0° | 120.0° |
| C29 | O34 | HO4 | 119.2° | 119.9° |
| H301 | C30 | H302 | 112.0° | 109.5° |
| H301 | C30 | H303 | 112.1° | 109.5° |
| H302 | C30 | H303 | 98.3° | 109.4° |
| O33 | C21 | C20 | 120.4° | 120.0° |
| O33 | C21 | H21 | 109.4° | 119.9° |
| O36 | C37 | C38 | 114.4° | 120.0° |
| O36 | C37 | O39 | 127.2° | 120.0° |
| C38 | C37 | O39 | 118.3° | 120.0° |
| C37 | C38 | H381 | 114.4° | 109.4° |
| C37 | C38 | H382 | 110.4° | 109.5° |
| C37 | C38 | H383 | 110.4° | 109.5° |
| H381 | C38 | H382 | 110.4° | 109.5° |
| H381 | C38 | H383 | 110.4° | 109.5° |
| H382 | C38 | H383 | 99.9° | 109.5° |
| C21 | C20 | H20 | 111.8° | 109.5° |
| C20 | C21 | H21 | 130.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H11 | 125.3° | 120.5° |
| C2 | C1 | C10 | H12 | 125.3° | 120.7° |
| C2 | C1 | H11 | H12 | 116.8° | 119.4° |
| C1 | C2 | C3 | H21A | 125.2° | 122.5° |
| C1 | C2 | C3 | H22 | 125.3° | 118.8° |
| C1 | C2 | H21A | H22 | 117.9° | 118.9° |
| C1 | C2 | C3 | C4 | 62.4° | 60.2° |
| C1 | C2 | C3 | O36 | 59.4° | 60.6° |
| C1 | C2 | C3 | H3 | 179.3° | 179.8° |
| C2 | C1 | C10 | C5 | 49.9° | 53.6° |
| C2 | C1 | C10 | C9 | 165.5° | 170.2° |
| C2 | C1 | C10 | C19 | 72.4° | 71.3° |
| C10 | C1 | H11 | H12 | 116.7° | 119.2° |
| C10 | C1 | C2 | C3 | 60.1° | 60.6° |
| C10 | C1 | C2 | H21A | 65.2° | 61.9° |
| C10 | C1 | C2 | H22 | 174.7° | 179.5° |
| C1 | C10 | C5 | C4 | 44.5° | 47.9° |
| C1 | C10 | C5 | C6 | 177.4° | 176.0° |
| C1 | C10 | C5 | C9 | 118.0° | 117.3° |
| C1 | C10 | C5 | C19 | 120.3° | 123.8° |
| C1 | C10 | C5 | H5 | 66.8° | 69.9° |
| C1 | C10 | C9 | C8 | 177.2° | 172.0° |
| C1 | C10 | C9 | C19 | 119.9° | 119.3° |
| C1 | C10 | C9 | C11 | 56.6° | 61.9° |
| C1 | C10 | C9 | H9 | 59.3° | 55.8° |
| C1 | C10 | C19 | H191 | 180.0° | 172.6° |
| C1 | C10 | C19 | H192 | 54.7° | 52.6° |
| C1 | C10 | C19 | H193 | 54.8° | 67.4° |
| H11 | C1 | C2 | C3 | 65.2° | 178.8° |
| H11 | C1 | C2 | H21A | 169.5° | 58.6° |
| H11 | C1 | C2 | H22 | 60.1° | 59.9° |
| H11 | C1 | C10 | C5 | 75.4° | 174.1° |
| H11 | C1 | C10 | C9 | 40.2° | 69.3° |
| H11 | C1 | C10 | C19 | 162.3° | 49.2° |
| H12 | C1 | C2 | C3 | 174.7° | 59.9° |
| H12 | C1 | C2 | H21A | 60.0° | 177.5° |
| H12 | C1 | C2 | H22 | 49.4° | 58.9° |
| H12 | C1 | C10 | C5 | 175.2° | 67.1° |
| H12 | C1 | C10 | C9 | 69.3° | 49.5° |
| H12 | C1 | C10 | C19 | 52.9° | 168.0° |
| C3 | C2 | H21A | H22 | 118.0° | 119.2° |
| C2 | C3 | C4 | O36 | 119.6° | 121.0° |
| C2 | C3 | C4 | H3 | 120.5° | 120.3° |
| C2 | C3 | O36 | H3 | 120.6° | 119.6° |
| C2 | C3 | C4 | C5 | 56.0° | 53.2° |
| C2 | C3 | C4 | C29 | 176.8° | 171.5° |
| C2 | C3 | C4 | C30 | 70.2° | 72.7° |
| C2 | C3 | O36 | C37 | 107.1° | 90.0° |
| H21A | C2 | C3 | C4 | 62.9° | 62.3° |
| H21A | C2 | C3 | O36 | 175.4° | 176.9° |
| H21A | C2 | C3 | H3 | 55.4° | 57.7° |
| H22 | C2 | C3 | C4 | 172.4° | 179.0° |
| H22 | C2 | C3 | O36 | 65.9° | 58.2° |
| H22 | C2 | C3 | H3 | 54.1° | 61.1° |
| C4 | C3 | O36 | H3 | 118.3° | 118.7° |
| C3 | C4 | C5 | C29 | 119.3° | 117.3° |
| C3 | C4 | C5 | C30 | 124.1° | 123.8° |
| C3 | C4 | C29 | C30 | 116.7° | 117.2° |
| C3 | C4 | C5 | C6 | 179.7° | 174.7° |
| C3 | C4 | C5 | C10 | 48.4° | 47.7° |
| C3 | C4 | C5 | H5 | 65.4° | 69.6° |
| C3 | C4 | C29 | O31 | 8.0° | 120.0° |
| C3 | C4 | C29 | O34 | 163.1° | 60.0° |
| C3 | C4 | C30 | H301 | 180.0° | 68.2° |
| C3 | C4 | C30 | H302 | 54.8° | 171.8° |
| C3 | C4 | C30 | H303 | 54.7° | 51.9° |
| C4 | C3 | O36 | C37 | 131.9° | 148.3° |
| O36 | C3 | C4 | C5 | 63.7° | 67.9° |
| O36 | C3 | C4 | C29 | 57.1° | 50.5° |
| O36 | C3 | C4 | C30 | 170.2° | 166.3° |
| C3 | O36 | C37 | C38 | 9.3° | 180.0° |
| C3 | O36 | C37 | O39 | 167.3° | 0.1° |
| H3 | C3 | C4 | C5 | 176.5° | 173.4° |
| H3 | C3 | C4 | C29 | 62.7° | 68.2° |
| H3 | C3 | C4 | C30 | 50.3° | 47.6° |
| H3 | C3 | O36 | C37 | 13.5° | 29.5° |
| C5 | C4 | C29 | C30 | 122.2° | 122.4° |
| C4 | C5 | C6 | C10 | 133.5° | 129.9° |
| C4 | C5 | C6 | H5 | 111.6° | 116.0° |
| C4 | C5 | C10 | H5 | 111.3° | 117.8° |
| C4 | C5 | C6 | C7 | 170.1° | 177.5° |
| C4 | C5 | C6 | H61 | 44.8° | 63.8° |
| C4 | C5 | C6 | H62 | 64.7° | 56.4° |
| C4 | C5 | C10 | C9 | 162.5° | 165.2° |
| C4 | C5 | C10 | C19 | 75.8° | 75.9° |
| C5 | C4 | C29 | O31 | 113.1° | 0.4° |
| C5 | C4 | C29 | O34 | 75.8° | 179.6° |
| C5 | C4 | C30 | H301 | 55.3° | 166.8° |
| C5 | C4 | C30 | H302 | 69.9° | 46.8° |
| C5 | C4 | C30 | H303 | 179.4° | 73.2° |
| C29 | C4 | C5 | C6 | 61.0° | 68.0° |
| C29 | C4 | C5 | C10 | 167.7° | 165.0° |
| C29 | C4 | C5 | H5 | 53.9° | 47.7° |
| C4 | C29 | O31 | O34 | 171.2° | 179.9° |
| C29 | C4 | C30 | H301 | 64.8° | 47.3° |
| C29 | C4 | C30 | H302 | 170.1° | 72.7° |
| C29 | C4 | C30 | H303 | 60.6° | 167.3° |
| C4 | C29 | O34 | HO4 | 180.0° | 179.9° |
| C30 | C4 | C5 | C6 | 55.5° | 50.9° |
| C30 | C4 | C5 | C10 | 75.7° | 76.1° |
| C30 | C4 | C5 | H5 | 170.4° | 166.5° |
| C30 | C4 | C29 | O31 | 124.8° | 122.8° |
| C30 | C4 | C29 | O34 | 46.4° | 57.2° |
| C4 | C30 | H301 | H302 | 125.2° | 120.0° |
| C4 | C30 | H301 | H303 | 125.3° | 120.1° |
| C4 | C30 | H302 | H303 | 118.0° | 120.0° |
| C6 | C5 | C10 | H5 | 115.8° | 114.2° |
| C5 | C6 | C7 | H61 | 125.3° | 119.8° |
| C5 | C6 | C7 | H62 | 125.3° | 122.9° |
| C5 | C6 | H61 | H62 | 116.9° | 122.1° |
| C5 | C6 | C7 | C8 | 2.3° | 15.9° |
| C5 | C6 | C7 | H7 | 177.7° | 164.1° |
| C6 | C5 | C10 | C9 | 64.6° | 66.8° |
| C6 | C5 | C10 | C19 | 57.2° | 52.2° |
| C10 | C5 | C6 | C7 | 36.6° | 47.6° |
| C10 | C5 | C6 | H61 | 88.6° | 166.4° |
| C10 | C5 | C6 | H62 | 161.9° | 73.4° |
| C5 | C10 | C9 | C8 | 58.8° | 52.5° |
| C5 | C10 | C9 | C19 | 121.6° | 121.1° |
| C5 | C10 | C9 | C11 | 175.1° | 178.5° |
| C5 | C10 | C9 | H9 | 59.2° | 63.8° |
| C5 | C10 | C19 | H191 | 58.6° | 63.0° |
| C5 | C10 | C19 | H192 | 176.1° | 177.0° |
| C5 | C10 | C19 | H193 | 66.6° | 57.0° |
| H5 | C5 | C6 | C7 | 78.3° | 66.5° |
| H5 | C5 | C6 | H61 | 156.4° | 52.3° |
| H5 | C5 | C6 | H62 | 46.9° | 172.4° |
| H5 | C5 | C10 | C9 | 51.2° | 47.4° |
| H5 | C5 | C10 | C19 | 172.9° | 166.4° |
| C7 | C6 | H61 | H62 | 116.8° | 117.4° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 2.1° | 3.5° |
| C6 | C7 | C8 | C14 | 178.2° | 176.1° |
| H61 | C6 | C7 | C8 | 122.9° | 135.7° |
| H61 | C6 | C7 | H7 | 57.0° | 44.3° |
| H62 | C6 | C7 | C8 | 127.6° | 106.9° |
| H62 | C6 | C7 | H7 | 52.4° | 73.1° |
| C7 | C8 | C9 | C14 | 176.3° | 179.6° |
| C7 | C8 | C9 | C10 | 27.6° | 22.6° |
| C7 | C8 | C9 | C11 | 153.7° | 149.8° |
| C7 | C8 | C9 | H9 | 90.4° | 91.5° |
| C7 | C8 | C14 | C13 | 151.3° | 151.7° |
| C7 | C8 | C14 | C15 | 31.1° | 39.1° |
| C7 | C8 | C14 | C28 | 84.3° | 85.7° |
| H7 | C7 | C8 | C9 | 177.9° | 176.5° |
| H7 | C7 | C8 | C14 | 1.7° | 4.0° |
| C8 | C9 | C10 | C11 | 126.2° | 126.0° |
| C8 | C9 | C10 | H9 | 117.9° | 116.3° |
| C8 | C9 | C11 | H9 | 117.6° | 118.5° |
| C8 | C9 | C10 | C19 | 62.8° | 68.6° |
| C8 | C9 | C11 | C12 | 48.2° | 58.3° |
| C8 | C9 | C11 | H111 | 173.4° | 178.4° |
| C8 | C9 | C11 | H112 | 77.1° | 63.1° |
| C9 | C8 | C14 | C13 | 32.4° | 28.7° |
| C9 | C8 | C14 | C15 | 152.6° | 141.3° |
| C9 | C8 | C14 | C28 | 92.1° | 93.8° |
| C14 | C8 | C9 | C10 | 148.7° | 157.0° |
| C14 | C8 | C9 | C11 | 22.6° | 29.8° |
| C14 | C8 | C9 | H9 | 93.3° | 88.9° |
| C8 | C14 | C13 | C12 | 62.5° | 64.8° |
| C8 | C14 | C13 | C15 | 130.7° | 121.9° |
| C8 | C14 | C13 | C28 | 115.8° | 121.5° |
| C8 | C14 | C13 | C17 | 176.2° | 170.7° |
| C8 | C14 | C13 | C18 | 60.3° | 58.4° |
| C8 | C14 | C15 | C28 | 113.7° | 125.2° |
| C8 | C14 | C15 | C16 | 156.5° | 155.5° |
| C8 | C14 | C15 | H151 | 78.3° | 35.6° |
| C8 | C14 | C15 | H152 | 31.3° | 86.8° |
| C8 | C14 | C28 | H281 | 180.0° | 66.8° |
| C8 | C14 | C28 | H282 | 54.8° | 173.2° |
| C8 | C14 | C28 | H283 | 54.7° | 53.2° |
| C10 | C9 | C11 | H9 | 117.7° | 115.5° |
| C10 | C9 | C11 | C12 | 172.9° | 175.7° |
| C10 | C9 | C11 | H111 | 61.9° | 55.6° |
| C10 | C9 | C11 | H112 | 47.7° | 62.9° |
| C9 | C10 | C19 | H191 | 59.4° | 54.7° |
| C9 | C10 | C19 | H192 | 65.9° | 65.3° |
| C9 | C10 | C19 | H193 | 175.3° | 174.7° |
| C11 | C9 | C10 | C19 | 63.3° | 57.4° |
| C9 | C11 | C12 | H111 | 125.3° | 120.7° |
| C9 | C11 | C12 | H112 | 125.2° | 122.7° |
| C9 | C11 | H111 | H112 | 116.1° | 120.4° |
| C9 | C11 | C12 | C13 | 17.3° | 23.2° |
| C9 | C11 | C12 | H121 | 108.0° | 97.6° |
| C9 | C11 | C12 | H122 | 142.5° | 145.3° |
| H9 | C9 | C10 | C19 | 179.3° | 175.1° |
| H9 | C9 | C11 | C12 | 69.4° | 60.2° |
| H9 | C9 | C11 | H111 | 55.8° | 59.9° |
| H9 | C9 | C11 | H112 | 165.3° | 178.4° |
| C10 | C19 | H191 | H192 | 125.3° | 120.0° |
| C10 | C19 | H191 | H193 | 125.3° | 120.0° |
| C10 | C19 | H192 | H193 | 118.6° | 120.0° |
| C12 | C11 | H111 | H112 | 116.1° | 117.1° |
| C11 | C12 | C13 | H121 | 125.3° | 120.5° |
| C11 | C12 | C13 | H122 | 125.3° | 121.7° |
| C11 | C12 | H121 | H122 | 115.9° | 118.1° |
| C11 | C12 | C13 | C14 | 37.0° | 37.2° |
| C11 | C12 | C13 | C17 | 150.1° | 152.9° |
| C11 | C12 | C13 | C18 | 88.2° | 86.6° |
| H111 | C11 | C12 | C13 | 142.5° | 143.9° |
| H111 | C11 | C12 | H121 | 17.2° | 23.1° |
| H111 | C11 | C12 | H122 | 92.2° | 94.0° |
| H112 | C11 | C12 | C13 | 108.0° | 99.5° |
| H112 | C11 | C12 | H121 | 126.7° | 139.7° |
| H112 | C11 | C12 | H122 | 17.3° | 22.6° |
| C13 | C12 | H121 | H122 | 115.9° | 119.2° |
| C12 | C13 | C14 | C17 | 121.3° | 124.5° |
| C12 | C13 | C14 | C18 | 122.9° | 123.1° |
| C12 | C13 | C17 | C18 | 122.7° | 122.6° |
| C12 | C13 | C14 | C15 | 166.8° | 173.4° |
| C12 | C13 | C14 | C28 | 53.2° | 56.8° |
| C12 | C13 | C17 | C16 | 159.4° | 160.3° |
| C12 | C13 | C17 | C20 | 74.6° | 82.0° |
| C12 | C13 | C17 | H17 | 37.8° | 40.6° |
| C12 | C13 | C18 | H181 | 180.0° | 53.6° |
| C12 | C13 | C18 | H182 | 54.8° | 173.7° |
| C12 | C13 | C18 | H183 | 54.8° | 66.3° |
| H121 | C12 | C13 | C14 | 162.3° | 157.7° |
| H121 | C12 | C13 | C17 | 84.6° | 86.6° |
| H121 | C12 | C13 | C18 | 37.1° | 33.9° |
| H122 | C12 | C13 | C14 | 88.3° | 84.5° |
| H122 | C12 | C13 | C17 | 24.8° | 31.2° |
| H122 | C12 | C13 | C18 | 146.5° | 151.7° |
| C14 | C13 | C17 | C18 | 120.0° | 116.0° |
| C13 | C14 | C15 | C28 | 121.8° | 118.5° |
| C13 | C14 | C15 | C16 | 32.0° | 39.2° |
| C13 | C14 | C15 | H151 | 157.2° | 80.7° |
| C13 | C14 | C15 | H152 | 93.3° | 156.9° |
| C14 | C13 | C17 | C16 | 42.1° | 38.9° |
| C14 | C13 | C17 | C20 | 168.1° | 156.6° |
| C14 | C13 | C17 | H17 | 79.5° | 80.7° |
| C14 | C13 | C18 | H181 | 57.7° | 177.8° |
| C14 | C13 | C18 | H182 | 67.6° | 62.1° |
| C14 | C13 | C18 | H183 | 177.2° | 57.9° |
| C13 | C14 | C28 | H281 | 59.0° | 173.1° |
| C13 | C14 | C28 | H282 | 66.3° | 53.1° |
| C13 | C14 | C28 | H283 | 175.8° | 66.9° |
| C17 | C13 | C14 | C15 | 45.5° | 48.8° |
| C17 | C13 | C14 | C28 | 68.0° | 67.8° |
| C13 | C17 | C16 | C15 | 22.1° | 14.8° |
| C13 | C17 | C16 | C20 | 127.4° | 117.2° |
| C13 | C17 | C16 | H17 | 119.9° | 119.1° |
| C13 | C17 | C16 | O32 | 147.4° | 134.5° |
| C13 | C17 | C16 | H16 | 98.8° | 104.4° |
| C13 | C17 | C20 | H17 | 118.8° | 122.5° |
| C17 | C13 | C18 | H181 | 54.4° | 72.9° |
| C17 | C13 | C18 | H182 | 179.7° | 47.1° |
| C17 | C13 | C18 | H183 | 70.7° | 167.1° |
| C13 | C17 | C20 | C22 | 69.9° | 73.3° |
| C13 | C17 | C20 | C21 | 174.4° | 166.8° |
| C13 | C17 | C20 | H20 | 54.0° | 46.7° |
| C18 | C13 | C14 | C15 | 70.3° | 63.5° |
| C18 | C13 | C14 | C28 | 176.1° | 179.9° |
| C18 | C13 | C17 | C16 | 77.9° | 77.1° |
| C18 | C13 | C17 | C20 | 48.1° | 40.6° |
| C18 | C13 | C17 | H17 | 160.5° | 163.2° |
| C13 | C18 | H181 | H182 | 125.3° | 120.0° |
| C13 | C18 | H181 | H183 | 125.2° | 120.0° |
| C13 | C18 | H182 | H183 | 118.0° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 117.6° |
| C14 | C15 | H151 | H152 | 119.3° | 122.3° |
| C14 | C15 | C16 | C17 | 5.8° | 15.3° |
| C14 | C15 | C16 | O32 | 120.2° | 104.4° |
| C14 | C15 | C16 | H16 | 125.9° | 134.4° |
| C15 | C14 | C28 | H281 | 53.2° | 61.4° |
| C15 | C14 | C28 | H282 | 178.5° | 58.6° |
| C15 | C14 | C28 | H283 | 72.0° | 178.6° |
| C28 | C14 | C15 | C16 | 89.8° | 79.3° |
| C28 | C14 | C15 | H151 | 35.4° | 160.8° |
| C28 | C14 | C15 | H152 | 145.0° | 38.5° |
| C14 | C28 | H281 | H282 | 125.3° | 120.0° |
| C14 | C28 | H281 | H283 | 125.3° | 120.0° |
| C14 | C28 | H282 | H283 | 121.1° | 120.0° |
| C16 | C15 | H151 | H152 | 119.3° | 122.6° |
| C15 | C16 | C17 | O32 | 125.3° | 119.7° |
| C15 | C16 | C17 | H16 | 120.9° | 119.2° |
| C15 | C16 | O32 | H16 | 120.2° | 121.3° |
| C15 | C16 | C17 | C20 | 149.5° | 132.0° |
| C15 | C16 | C17 | H17 | 97.9° | 104.3° |
| C15 | C16 | O32 | HO3 | 180.0° | 62.5° |
| H151 | C15 | C16 | C17 | 131.0° | 104.7° |
| H151 | C15 | C16 | O32 | 5.1° | 135.6° |
| H151 | C15 | C16 | H16 | 108.8° | 14.4° |
| H152 | C15 | C16 | C17 | 119.5° | 132.8° |
| H152 | C15 | C16 | O32 | 114.5° | 13.1° |
| H152 | C15 | C16 | H16 | 0.7° | 108.1° |
| C17 | C16 | O32 | H16 | 119.4° | 121.1° |
| C16 | C17 | C20 | H17 | 120.7° | 124.1° |
| C16 | C17 | C20 | C22 | 169.7° | 173.3° |
| C17 | C16 | O32 | HO3 | 59.5° | 179.9° |
| C16 | C17 | C20 | C21 | 54.0° | 53.3° |
| C16 | C17 | C20 | H20 | 66.5° | 66.7° |
| O32 | C16 | C17 | C20 | 85.1° | 108.2° |
| O32 | C16 | C17 | H17 | 27.5° | 15.5° |
| H16 | C16 | C17 | C20 | 28.7° | 12.8° |
| H16 | C16 | C17 | H17 | 141.3° | 136.5° |
| H16 | C16 | O32 | HO3 | 59.9° | 58.8° |
| C17 | C20 | C22 | C23 | 124.6° | 175.5° |
| C17 | C20 | C22 | C21 | 125.5° | 120.0° |
| C17 | C20 | C22 | H20 | 113.8° | 120.0° |
| C17 | C20 | C22 | H221 | 110.1° | 64.5° |
| C17 | C20 | C22 | H222 | 0.6° | 55.5° |
| C17 | C20 | C21 | O33 | 127.1° | 120.0° |
| C17 | C20 | C21 | H20 | 113.6° | 120.1° |
| C17 | C20 | C21 | H21 | 52.9° | 59.9° |
| H17 | C17 | C20 | C22 | 49.0° | 49.2° |
| H17 | C17 | C20 | C21 | 66.8° | 70.7° |
| H17 | C17 | C20 | H20 | 172.8° | 169.2° |
| H181 | C18 | H182 | H183 | 118.0° | 120.0° |
| H191 | C19 | H192 | H193 | 118.5° | 119.9° |
| C23 | C22 | C20 | H221 | 125.2° | 120.0° |
| C23 | C22 | C20 | H222 | 125.3° | 120.0° |
| C23 | C22 | H221 | H222 | 117.0° | 120.0° |
| C22 | C23 | C24 | O35 | 179.0° | 180.0° |
| C22 | C23 | C24 | C25 | 168.5° | 171.2° |
| C22 | C23 | C24 | H24 | 11.6° | 8.8° |
| C23 | C22 | C20 | C21 | 109.9° | 64.5° |
| C23 | C22 | C20 | H20 | 10.9° | 55.5° |
| C20 | C22 | H221 | H222 | 117.0° | 120.0° |
| C20 | C22 | C23 | C24 | 174.1° | 180.0° |
| C20 | C22 | C23 | O35 | 4.9° | 0.1° |
| C22 | C20 | C21 | O33 | 110.6° | 120.0° |
| C22 | C20 | C21 | H20 | 124.1° | 120.0° |
| C22 | C20 | C21 | H21 | 69.4° | 60.1° |
| H221 | C22 | C23 | C24 | 48.9° | 60.0° |
| H221 | C22 | C23 | O35 | 130.2° | 120.0° |
| H221 | C22 | C20 | C21 | 15.4° | 55.5° |
| H221 | C22 | C20 | H20 | 136.1° | 175.5° |
| H222 | C22 | C23 | C24 | 60.6° | 60.0° |
| H222 | C22 | C23 | O35 | 120.3° | 120.0° |
| H222 | C22 | C20 | C21 | 124.8° | 175.5° |
| H222 | C22 | C20 | H20 | 114.4° | 64.5° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 175.3° | 172.6° |
| C23 | C24 | C25 | C27 | 7.8° | 7.4° |
| O35 | C23 | C24 | C25 | 12.5° | 8.8° |
| O35 | C23 | C24 | H24 | 167.5° | 171.1° |
| C24 | C25 | C26 | C27 | 177.2° | 180.0° |
| C24 | C25 | C26 | H261 | 179.9° | 180.0° |
| C24 | C25 | C26 | H262 | 54.7° | 60.0° |
| C24 | C25 | C26 | H263 | 54.7° | 60.0° |
| C24 | C25 | C27 | H271 | 179.9° | 8.0° |
| C24 | C25 | C27 | H272 | 54.7° | 128.1° |
| C24 | C25 | C27 | H273 | 54.7° | 112.0° |
| H24 | C24 | C25 | C26 | 4.7° | 7.4° |
| H24 | C24 | C25 | C27 | 172.2° | 172.6° |
| C25 | C26 | H261 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H263 | 125.2° | 120.0° |
| C25 | C26 | H262 | H263 | 114.5° | 119.9° |
| C26 | C25 | C27 | H271 | 3.0° | 172.0° |
| C26 | C25 | C27 | H272 | 128.3° | 51.9° |
| C26 | C25 | C27 | H273 | 122.3° | 68.1° |
| C27 | C25 | C26 | H261 | 2.8° | 0.0° |
| C27 | C25 | C26 | H262 | 122.5° | 120.0° |
| C27 | C25 | C26 | H263 | 128.0° | 120.0° |
| C25 | C27 | H271 | H272 | 125.2° | 120.0° |
| C25 | C27 | H271 | H273 | 125.3° | 119.9° |
| C25 | C27 | H272 | H273 | 111.6° | 119.9° |
| H261 | C26 | H262 | H263 | 114.4° | 120.0° |
| H271 | C27 | H272 | H273 | 111.8° | 120.0° |
| H281 | C28 | H282 | H283 | 121.0° | 120.0° |
| O31 | C29 | O34 | HO4 | 8.6° | 0.0° |
| H301 | C30 | H302 | H303 | 118.0° | 120.0° |
| O33 | C21 | C20 | H21 | 180.0° | 179.9° |
| O33 | C21 | C20 | H20 | 13.5° | 0.1° |
| O36 | C37 | C38 | O39 | 176.9° | 179.9° |
| O36 | C37 | C38 | H381 | 180.0° | 180.0° |
| O36 | C37 | C38 | H382 | 54.7° | 60.0° |
| O36 | C37 | C38 | H383 | 54.7° | 60.1° |
| C37 | C38 | H381 | H382 | 125.2° | 120.0° |
| C37 | C38 | H381 | H383 | 125.2° | 120.0° |
| C37 | C38 | H382 | H383 | 116.2° | 120.0° |
| O39 | C37 | C38 | H381 | 3.1° | 0.0° |
| O39 | C37 | C38 | H382 | 128.4° | 119.9° |
| O39 | C37 | C38 | H383 | 122.1° | 120.0° |
| H381 | C38 | H382 | H383 | 116.3° | 120.0° |
| H20 | C20 | C21 | H21 | 166.5° | 180.0° |
