FUA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C10 | sing | 1.53Å | 1.51Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | H21 | sing | 1.10Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | sing | 1.53Å | 1.61Å | |
| C3 | O6 | sing | 1.43Å | 1.46Å | |
| C3 | H3 | sing | 1.10Å | 1.11Å | |
| C4 | C5 | sing | 1.54Å | 1.49Å | |
| C4 | C18 | sing | 1.53Å | 1.49Å | |
| C4 | H4 | sing | 1.08Å | 1.11Å | |
| C5 | C6 | sing | 1.52Å | 1.51Å | |
| C5 | C10 | sing | 1.52Å | 1.48Å | |
| C5 | H5 | sing | 1.10Å | 1.11Å | |
| C6 | C7 | sing | 1.52Å | 1.55Å | |
| C6 | H61 | sing | 1.10Å | 1.11Å | |
| C6 | H62 | sing | 1.10Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.10Å | 1.12Å | |
| C8 | C9 | sing | 1.52Å | 1.56Å | |
| C8 | C14 | sing | 1.52Å | 1.63Å | |
| C8 | C20 | sing | 1.53Å | 1.47Å | |
| C9 | C10 | sing | 1.52Å | 1.60Å | |
| C9 | C11 | sing | 1.52Å | 1.61Å | |
| C9 | H9 | sing | 1.13Å | 1.11Å | |
| C10 | C19 | sing | 1.54Å | 1.57Å | |
| C11 | C12 | sing | 1.54Å | 1.53Å | |
| C11 | O1 | sing | 1.42Å | 1.44Å | |
| C11 | H11 | sing | 1.10Å | 1.11Å | |
| C12 | C13 | sing | 1.51Å | 1.56Å | |
| C12 | H121 | sing | 1.10Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.55Å | 1.55Å | |
| C13 | C17 | sing | 1.51Å | 1.46Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.54Å | 1.49Å | |
| C14 | C21 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C15 | H151 | sing | 1.08Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | O2 | sing | 1.45Å | 1.49Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C17 | C22 | doub | 1.33Å | 1.32Å | |
| C18 | H181 | sing | 1.09Å | 1.12Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C18 | H183 | sing | 1.09Å | 1.11Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.12Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C21 | H213 | sing | 1.09Å | 1.11Å | |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | C29 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | doub | 1.31Å | 1.24Å | |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.51Å | 1.58Å | |
| C26 | C28 | sing | 1.51Å | 1.61Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C27 | H273 | sing | 1.09Å | 1.11Å | |
| C28 | H281 | sing | 1.09Å | 1.12Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.12Å | |
| C29 | O4 | doub | 1.22Å | 1.27Å | |
| C29 | O5 | sing | 1.35Å | 1.29Å | |
| C31 | C32 | sing | 1.51Å | 1.42Å | |
| C31 | O2 | sing | 1.34Å | 1.35Å | |
| C31 | O3 | doub | 1.21Å | 1.14Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C32 | H323 | sing | 1.09Å | 1.11Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | HO6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C10 | 114.9° | 110.5° |
| C2 | C1 | H11A | 110.2° | 108.6° |
| C2 | C1 | H12 | 110.2° | 109.3° |
| C1 | C2 | C3 | 116.6° | 110.8° |
| C1 | C2 | H21 | 109.6° | 108.3° |
| C1 | C2 | H22 | 109.6° | 111.1° |
| C10 | C1 | H11A | 110.2° | 109.2° |
| C10 | C1 | H12 | 110.2° | 109.7° |
| C1 | C10 | C5 | 107.4° | 108.6° |
| C1 | C10 | C9 | 111.8° | 110.9° |
| C1 | C10 | C19 | 109.1° | 108.1° |
| H11A | C1 | H12 | 100.0° | 109.5° |
| C3 | C2 | H21 | 109.6° | 108.4° |
| C3 | C2 | H22 | 109.7° | 110.4° |
| C2 | C3 | C4 | 113.2° | 111.0° |
| C2 | C3 | O6 | 107.4° | 109.6° |
| C2 | C3 | H3 | 108.8° | 109.1° |
| H21 | C2 | H22 | 100.6° | 107.7° |
| C4 | C3 | O6 | 110.7° | 109.5° |
| C4 | C3 | H3 | 105.3° | 108.9° |
| C3 | C4 | C5 | 109.3° | 109.6° |
| C3 | C4 | C18 | 102.4° | 108.3° |
| C3 | C4 | H4 | 117.5° | 110.3° |
| O6 | C3 | H3 | 111.5° | 108.6° |
| C3 | O6 | HO6 | 107.4° | 106.8° |
| C5 | C4 | C18 | 117.9° | 109.0° |
| C5 | C4 | H4 | 101.8° | 111.1° |
| C4 | C5 | C6 | 112.2° | 110.0° |
| C4 | C5 | C10 | 119.1° | 109.8° |
| C4 | C5 | H5 | 103.2° | 105.2° |
| C18 | C4 | H4 | 108.7° | 108.5° |
| C4 | C18 | H181 | 102.4° | 109.5° |
| C4 | C18 | H182 | 114.9° | 109.4° |
| C4 | C18 | H183 | 114.9° | 109.5° |
| C6 | C5 | C10 | 117.2° | 112.4° |
| C6 | C5 | H5 | 106.0° | 110.0° |
| C5 | C6 | C7 | 116.6° | 113.9° |
| C5 | C6 | H61 | 109.6° | 109.6° |
| C5 | C6 | H62 | 109.6° | 109.5° |
| C10 | C5 | H5 | 95.3° | 109.3° |
| C5 | C10 | C9 | 114.5° | 112.9° |
| C5 | C10 | C19 | 105.0° | 109.3° |
| C7 | C6 | H61 | 109.7° | 108.7° |
| C7 | C6 | H62 | 109.6° | 107.9° |
| C6 | C7 | C8 | 113.3° | 112.0° |
| C6 | C7 | H71 | 110.8° | 108.3° |
| C6 | C7 | H72 | 110.8° | 109.0° |
| H61 | C6 | H62 | 100.5° | 107.0° |
| C8 | C7 | H71 | 110.8° | 110.3° |
| C8 | C7 | H72 | 110.8° | 108.9° |
| C7 | C8 | C9 | 108.4° | 108.5° |
| C7 | C8 | C14 | 110.4° | 110.7° |
| C7 | C8 | C20 | 110.3° | 109.1° |
| H71 | C7 | H72 | 99.5° | 108.2° |
| C9 | C8 | C14 | 106.5° | 107.8° |
| C9 | C8 | C20 | 110.1° | 112.3° |
| C8 | C9 | C10 | 113.7° | 114.2° |
| C8 | C9 | C11 | 109.3° | 114.0° |
| C8 | C9 | H9 | 108.2° | 105.7° |
| C14 | C8 | C20 | 111.0° | 108.4° |
| C8 | C14 | C13 | 112.7° | 108.7° |
| C8 | C14 | C15 | 116.5° | 116.2° |
| C8 | C14 | C21 | 117.5° | 111.7° |
| C8 | C20 | H201 | 110.4° | 109.4° |
| C8 | C20 | H202 | 111.9° | 109.4° |
| C8 | C20 | H203 | 111.9° | 109.5° |
| C10 | C9 | C11 | 113.6° | 114.7° |
| C10 | C9 | H9 | 103.3° | 102.4° |
| C9 | C10 | C19 | 108.7° | 106.8° |
| C11 | C9 | H9 | 108.3° | 103.9° |
| C9 | C11 | C12 | 110.2° | 110.3° |
| C9 | C11 | O1 | 104.6° | 112.3° |
| C9 | C11 | H11 | 112.3° | 109.0° |
| C10 | C19 | H191 | 109.1° | 109.5° |
| C10 | C19 | H192 | 112.3° | 109.5° |
| C10 | C19 | H193 | 112.3° | 109.5° |
| C12 | C11 | O1 | 109.8° | 109.0° |
| C12 | C11 | H11 | 107.3° | 107.5° |
| C11 | C12 | C13 | 111.8° | 108.3° |
| C11 | C12 | H121 | 111.4° | 108.5° |
| C11 | C12 | H122 | 111.3° | 110.0° |
| O1 | C11 | H11 | 112.7° | 108.6° |
| C11 | O1 | HO1 | 104.6° | 106.8° |
| C13 | C12 | H121 | 111.3° | 109.6° |
| C13 | C12 | H122 | 111.3° | 111.7° |
| C12 | C13 | C14 | 109.5° | 110.7° |
| C12 | C13 | C17 | 124.6° | 116.9° |
| C12 | C13 | H13 | 96.9° | 109.3° |
| H121 | C12 | H122 | 99.1° | 108.7° |
| C14 | C13 | C17 | 104.8° | 101.9° |
| C14 | C13 | H13 | 119.6° | 110.7° |
| C13 | C14 | C15 | 100.5° | 100.7° |
| C13 | C14 | C21 | 105.5° | 110.8° |
| C17 | C13 | H13 | 102.3° | 107.1° |
| C13 | C17 | C16 | 106.1° | 104.6° |
| C13 | C17 | C22 | 140.2° | 127.5° |
| C15 | C14 | C21 | 102.0° | 108.3° |
| C14 | C15 | C16 | 106.8° | 102.9° |
| C14 | C15 | H151 | 113.2° | 113.0° |
| C14 | C15 | H152 | 113.3° | 110.0° |
| C14 | C21 | H211 | 117.5° | 109.4° |
| C14 | C21 | H212 | 109.3° | 109.5° |
| C14 | C21 | H213 | 109.3° | 109.5° |
| C16 | C15 | H151 | 113.2° | 110.3° |
| C16 | C15 | H152 | 113.2° | 110.2° |
| C15 | C16 | C17 | 104.1° | 106.7° |
| C15 | C16 | O2 | 108.6° | 110.4° |
| C15 | C16 | H16 | 110.2° | 109.6° |
| H151 | C15 | H152 | 97.2° | 110.3° |
| C17 | C16 | O2 | 97.7° | 110.5° |
| C17 | C16 | H16 | 119.4° | 109.8° |
| C16 | C17 | C22 | 113.6° | 127.9° |
| O2 | C16 | H16 | 115.5° | 109.9° |
| C16 | O2 | C31 | 118.7° | 120.1° |
| C17 | C22 | C23 | 122.0° | 120.0° |
| C17 | C22 | C29 | 122.2° | 120.0° |
| H181 | C18 | H182 | 114.9° | 109.5° |
| H181 | C18 | H183 | 114.9° | 109.4° |
| H182 | C18 | H183 | 95.6° | 109.5° |
| H191 | C19 | H192 | 112.4° | 109.5° |
| H191 | C19 | H193 | 112.3° | 109.5° |
| H192 | C19 | H193 | 98.1° | 109.5° |
| H201 | C20 | H202 | 111.8° | 109.5° |
| H201 | C20 | H203 | 111.9° | 109.5° |
| H202 | C20 | H203 | 98.5° | 109.5° |
| H211 | C21 | H212 | 109.4° | 109.4° |
| H211 | C21 | H213 | 109.3° | 109.5° |
| H212 | C21 | H213 | 100.9° | 109.6° |
| C23 | C22 | C29 | 115.7° | 120.0° |
| C22 | C23 | C24 | 121.5° | 109.5° |
| C22 | C23 | H231 | 107.9° | 109.5° |
| C22 | C23 | H232 | 107.9° | 109.5° |
| C22 | C29 | O4 | 119.3° | 120.0° |
| C22 | C29 | O5 | 126.7° | 120.1° |
| C24 | C23 | H231 | 107.9° | 109.5° |
| C24 | C23 | H232 | 108.0° | 109.5° |
| C23 | C24 | C25 | 121.0° | 109.5° |
| C23 | C24 | H241 | 108.1° | 109.5° |
| C23 | C24 | H242 | 108.1° | 109.5° |
| H231 | C23 | H232 | 101.9° | 109.4° |
| C25 | C24 | H241 | 108.1° | 109.4° |
| C25 | C24 | H242 | 108.1° | 109.4° |
| C24 | C25 | C26 | 127.0° | 120.0° |
| C24 | C25 | H25 | 126.8° | 120.0° |
| H241 | C24 | H242 | 101.8° | 109.5° |
| C26 | C25 | H25 | 106.2° | 120.0° |
| C25 | C26 | C27 | 139.3° | 120.0° |
| C25 | C26 | C28 | 121.9° | 120.0° |
| C27 | C26 | C28 | 98.8° | 120.0° |
| C26 | C27 | H271 | 139.3° | 109.5° |
| C26 | C27 | H272 | 102.1° | 109.5° |
| C26 | C27 | H273 | 102.1° | 109.4° |
| C26 | C28 | H281 | 121.9° | 109.5° |
| C26 | C28 | H282 | 107.8° | 109.5° |
| C26 | C28 | H283 | 107.8° | 109.5° |
| H271 | C27 | H272 | 102.1° | 109.5° |
| H271 | C27 | H273 | 102.1° | 109.5° |
| H272 | C27 | H273 | 106.0° | 109.5° |
| H281 | C28 | H282 | 107.8° | 109.5° |
| H281 | C28 | H283 | 107.8° | 109.5° |
| H282 | C28 | H283 | 102.0° | 109.4° |
| O4 | C29 | O5 | 113.9° | 119.9° |
| C29 | O5 | HO5 | 126.7° | 120.1° |
| C32 | C31 | O2 | 109.0° | 120.1° |
| C32 | C31 | O3 | 128.2° | 119.9° |
| C31 | C32 | H321 | 108.9° | 109.5° |
| C31 | C32 | H322 | 112.4° | 109.4° |
| C31 | C32 | H323 | 112.4° | 109.4° |
| O2 | C31 | O3 | 122.8° | 119.9° |
| H321 | C32 | H322 | 112.4° | 109.5° |
| H321 | C32 | H323 | 112.4° | 109.5° |
| H322 | C32 | H323 | 98.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C10 | H11A | 125.2° | 119.5° |
| C2 | C1 | C10 | H12 | 125.3° | 120.6° |
| C2 | C1 | H11A | H12 | 116.1° | 119.3° |
| C1 | C2 | C3 | H21 | 125.2° | 118.7° |
| C1 | C2 | C3 | H22 | 125.2° | 123.6° |
| C1 | C2 | H21 | H22 | 115.4° | 120.3° |
| C1 | C2 | C3 | C4 | 39.6° | 55.4° |
| C1 | C2 | C3 | O6 | 82.9° | 65.7° |
| C1 | C2 | C3 | H3 | 156.3° | 175.4° |
| C2 | C1 | C10 | C5 | 49.8° | 59.9° |
| C2 | C1 | C10 | C9 | 176.2° | 175.5° |
| C2 | C1 | C10 | C19 | 63.5° | 58.7° |
| C10 | C1 | H11A | H12 | 116.1° | 120.1° |
| C10 | C1 | C2 | C3 | 45.2° | 56.9° |
| C10 | C1 | C2 | H21 | 80.1° | 175.7° |
| C10 | C1 | C2 | H22 | 170.4° | 66.2° |
| C1 | C10 | C5 | C4 | 58.5° | 61.6° |
| C1 | C10 | C5 | C6 | 160.8° | 175.7° |
| C1 | C10 | C5 | C9 | 124.8° | 123.4° |
| C1 | C10 | C5 | C19 | 116.0° | 117.8° |
| C1 | C10 | C5 | H5 | 49.8° | 53.3° |
| C1 | C10 | C9 | C8 | 112.9° | 128.9° |
| C1 | C10 | C9 | C19 | 120.6° | 117.6° |
| C1 | C10 | C9 | C11 | 13.0° | 5.4° |
| C1 | C10 | C9 | H9 | 130.1° | 117.3° |
| C1 | C10 | C19 | H191 | 180.0° | 60.0° |
| C1 | C10 | C19 | H192 | 54.8° | 180.0° |
| C1 | C10 | C19 | H193 | 54.8° | 60.0° |
| H11A | C1 | C2 | C3 | 80.1° | 62.9° |
| H11A | C1 | C2 | H21 | 154.7° | 55.9° |
| H11A | C1 | C2 | H22 | 45.2° | 174.0° |
| H11A | C1 | C10 | C5 | 75.5° | 59.6° |
| H11A | C1 | C10 | C9 | 51.0° | 65.1° |
| H11A | C1 | C10 | C19 | 171.3° | 178.1° |
| H12 | C1 | C2 | C3 | 170.4° | 177.7° |
| H12 | C1 | C2 | H21 | 45.2° | 63.5° |
| H12 | C1 | C2 | H22 | 64.3° | 54.6° |
| H12 | C1 | C10 | C5 | 175.1° | 179.6° |
| H12 | C1 | C10 | C9 | 58.5° | 54.9° |
| H12 | C1 | C10 | C19 | 61.8° | 61.9° |
| C3 | C2 | H21 | H22 | 115.5° | 119.5° |
| C2 | C3 | C4 | O6 | 120.6° | 121.2° |
| C2 | C3 | C4 | H3 | 118.8° | 120.2° |
| C2 | C3 | O6 | H3 | 119.1° | 119.1° |
| C2 | C3 | C4 | C5 | 41.8° | 56.8° |
| C2 | C3 | C4 | C18 | 167.6° | 175.5° |
| C2 | C3 | C4 | H4 | 73.4° | 65.9° |
| C2 | C3 | O6 | HO6 | 180.0° | 57.9° |
| H21 | C2 | C3 | C4 | 85.7° | 174.1° |
| H21 | C2 | C3 | O6 | 151.9° | 53.0° |
| H21 | C2 | C3 | H3 | 31.1° | 65.9° |
| H22 | C2 | C3 | C4 | 164.8° | 68.2° |
| H22 | C2 | C3 | O6 | 42.3° | 170.7° |
| H22 | C2 | C3 | H3 | 78.5° | 51.9° |
| C4 | C3 | O6 | H3 | 116.9° | 118.8° |
| C3 | C4 | C5 | C18 | 116.3° | 118.4° |
| C3 | C4 | C5 | H4 | 124.9° | 122.2° |
| C3 | C4 | C18 | H4 | 125.0° | 119.8° |
| C3 | C4 | C5 | C6 | 162.9° | 175.6° |
| C3 | C4 | C5 | C10 | 54.6° | 60.3° |
| C3 | C4 | C5 | H5 | 49.3° | 57.2° |
| C3 | C4 | C18 | H181 | 180.0° | 59.8° |
| C3 | C4 | C18 | H182 | 54.7° | 60.2° |
| C3 | C4 | C18 | H183 | 54.8° | 179.8° |
| C4 | C3 | O6 | HO6 | 55.9° | 180.0° |
| O6 | C3 | C4 | C5 | 78.8° | 64.4° |
| O6 | C3 | C4 | C18 | 47.0° | 54.4° |
| O6 | C3 | C4 | H4 | 166.0° | 173.0° |
| H3 | C3 | C4 | C5 | 160.6° | 176.9° |
| H3 | C3 | C4 | C18 | 73.6° | 64.3° |
| H3 | C3 | C4 | H4 | 45.4° | 54.3° |
| H3 | C3 | O6 | HO6 | 61.0° | 61.2° |
| C5 | C4 | C18 | H4 | 115.1° | 121.1° |
| C4 | C5 | C6 | C10 | 143.2° | 122.6° |
| C4 | C5 | C6 | H5 | 111.9° | 115.4° |
| C4 | C5 | C10 | H5 | 108.3° | 114.9° |
| C4 | C5 | C6 | C7 | 179.0° | 162.4° |
| C4 | C5 | C6 | H61 | 53.7° | 40.3° |
| C4 | C5 | C6 | H62 | 55.8° | 76.7° |
| C4 | C5 | C10 | C9 | 176.6° | 175.0° |
| C4 | C5 | C10 | C19 | 57.5° | 56.2° |
| C5 | C4 | C18 | H181 | 60.1° | 179.0° |
| C5 | C4 | C18 | H182 | 174.7° | 59.0° |
| C5 | C4 | C18 | H183 | 65.2° | 61.1° |
| C18 | C4 | C5 | C6 | 46.6° | 57.2° |
| C18 | C4 | C5 | C10 | 170.9° | 178.6° |
| C18 | C4 | C5 | H5 | 67.0° | 61.1° |
| C4 | C18 | H181 | H182 | 125.3° | 120.0° |
| C4 | C18 | H181 | H183 | 125.3° | 120.0° |
| C4 | C18 | H182 | H183 | 120.8° | 120.0° |
| H4 | C4 | C5 | C6 | 72.2° | 62.3° |
| H4 | C4 | C5 | C10 | 70.3° | 61.9° |
| H4 | C4 | C5 | H5 | 174.2° | 179.4° |
| H4 | C4 | C18 | H181 | 55.0° | 60.0° |
| H4 | C4 | C18 | H182 | 70.2° | 180.0° |
| H4 | C4 | C18 | H183 | 179.8° | 60.0° |
| C6 | C5 | C10 | H5 | 111.1° | 122.4° |
| C5 | C6 | C7 | H61 | 125.3° | 122.5° |
| C5 | C6 | C7 | H62 | 125.3° | 121.8° |
| C5 | C6 | H61 | H62 | 115.4° | 118.7° |
| C5 | C6 | C7 | C8 | 11.8° | 16.4° |
| C5 | C6 | C7 | H71 | 113.5° | 105.5° |
| C5 | C6 | C7 | H72 | 137.1° | 137.0° |
| C6 | C5 | C10 | C9 | 36.0° | 52.3° |
| C6 | C5 | C10 | C19 | 83.2° | 66.5° |
| C10 | C5 | C6 | C7 | 35.8° | 39.8° |
| C10 | C5 | C6 | H61 | 89.6° | 82.3° |
| C10 | C5 | C6 | H62 | 161.0° | 160.7° |
| C5 | C10 | C9 | C8 | 9.5° | 6.7° |
| C5 | C10 | C9 | C19 | 117.0° | 120.2° |
| C5 | C10 | C9 | C11 | 135.4° | 127.6° |
| C5 | C10 | C9 | H9 | 107.5° | 120.5° |
| C5 | C10 | C19 | H191 | 65.2° | 58.1° |
| C5 | C10 | C19 | H192 | 169.6° | 61.9° |
| C5 | C10 | C19 | H193 | 60.0° | 178.1° |
| H5 | C5 | C6 | C7 | 69.1° | 82.2° |
| H5 | C5 | C6 | H61 | 165.6° | 155.7° |
| H5 | C5 | C6 | H62 | 56.1° | 38.7° |
| H5 | C5 | C10 | C9 | 75.1° | 70.1° |
| H5 | C5 | C10 | C19 | 165.8° | 171.1° |
| C7 | C6 | H61 | H62 | 115.4° | 116.3° |
| C6 | C7 | C8 | H71 | 125.3° | 120.8° |
| C6 | C7 | C8 | H72 | 125.3° | 120.7° |
| C6 | C7 | H71 | H72 | 116.6° | 118.0° |
| C6 | C7 | C8 | C9 | 54.9° | 60.9° |
| C6 | C7 | C8 | C14 | 171.2° | 179.1° |
| C6 | C7 | C8 | C20 | 65.7° | 61.7° |
| H61 | C6 | C7 | C8 | 137.2° | 138.9° |
| H61 | C6 | C7 | H71 | 11.9° | 17.0° |
| H61 | C6 | C7 | H72 | 97.6° | 100.5° |
| H62 | C6 | C7 | C8 | 113.4° | 105.4° |
| H62 | C6 | C7 | H71 | 121.3° | 132.7° |
| H62 | C6 | C7 | H72 | 11.9° | 15.2° |
| C8 | C7 | H71 | H72 | 116.7° | 119.0° |
| C7 | C8 | C9 | C14 | 118.8° | 119.9° |
| C7 | C8 | C9 | C20 | 120.7° | 120.7° |
| C7 | C8 | C14 | C20 | 122.7° | 119.6° |
| C7 | C8 | C9 | C10 | 54.0° | 48.5° |
| C7 | C8 | C9 | C11 | 177.8° | 176.9° |
| C7 | C8 | C9 | H9 | 60.1° | 63.4° |
| C7 | C8 | C14 | C13 | 176.8° | 177.3° |
| C7 | C8 | C14 | C15 | 67.7° | 70.0° |
| C7 | C8 | C14 | C21 | 53.7° | 54.8° |
| C7 | C8 | C20 | H201 | 180.0° | 53.1° |
| C7 | C8 | C20 | H202 | 54.7° | 173.0° |
| C7 | C8 | C20 | H203 | 54.7° | 66.9° |
| H71 | C7 | C8 | C9 | 70.4° | 59.8° |
| H71 | C7 | C8 | C14 | 45.9° | 58.3° |
| H71 | C7 | C8 | C20 | 169.0° | 177.5° |
| H72 | C7 | C8 | C9 | 179.9° | 178.4° |
| H72 | C7 | C8 | C14 | 63.6° | 60.2° |
| H72 | C7 | C8 | C20 | 59.5° | 59.0° |
| C9 | C8 | C14 | C20 | 119.9° | 121.8° |
| C8 | C9 | C10 | C11 | 125.9° | 134.3° |
| C8 | C9 | C10 | H9 | 117.0° | 113.8° |
| C8 | C9 | C11 | H9 | 117.6° | 114.6° |
| C8 | C9 | C10 | C19 | 126.5° | 113.5° |
| C8 | C9 | C11 | C12 | 61.3° | 55.5° |
| C8 | C9 | C11 | O1 | 56.7° | 66.3° |
| C8 | C9 | C11 | H11 | 179.1° | 173.3° |
| C9 | C8 | C14 | C13 | 59.3° | 58.8° |
| C9 | C8 | C14 | C15 | 174.8° | 171.4° |
| C9 | C8 | C14 | C21 | 63.7° | 63.8° |
| C9 | C8 | C20 | H201 | 60.5° | 67.3° |
| C9 | C8 | C20 | H202 | 174.3° | 52.7° |
| C9 | C8 | C20 | H203 | 64.9° | 172.7° |
| C14 | C8 | C9 | C10 | 172.9° | 168.4° |
| C14 | C8 | C9 | C11 | 59.0° | 56.9° |
| C14 | C8 | C9 | H9 | 58.7° | 56.6° |
| C8 | C14 | C13 | C12 | 57.0° | 64.0° |
| C8 | C14 | C13 | C15 | 124.8° | 122.5° |
| C8 | C14 | C13 | C21 | 129.5° | 123.1° |
| C8 | C14 | C13 | C17 | 167.2° | 171.0° |
| C8 | C14 | C13 | H13 | 53.4° | 57.3° |
| C8 | C14 | C15 | C21 | 129.3° | 126.6° |
| C8 | C14 | C15 | C16 | 157.5° | 156.5° |
| C8 | C14 | C15 | H151 | 77.3° | 37.5° |
| C8 | C14 | C15 | H152 | 32.2° | 86.2° |
| C14 | C8 | C20 | H201 | 57.2° | 173.7° |
| C14 | C8 | C20 | H202 | 68.0° | 66.4° |
| C14 | C8 | C20 | H203 | 177.4° | 53.7° |
| C8 | C14 | C21 | H211 | 180.0° | 171.5° |
| C8 | C14 | C21 | H212 | 54.7° | 51.6° |
| C8 | C14 | C21 | H213 | 54.8° | 68.5° |
| C20 | C8 | C9 | C10 | 66.7° | 72.2° |
| C20 | C8 | C9 | C11 | 61.5° | 62.4° |
| C20 | C8 | C9 | H9 | 179.2° | 176.0° |
| C20 | C8 | C14 | C13 | 60.6° | 63.1° |
| C20 | C8 | C14 | C15 | 55.0° | 49.6° |
| C20 | C8 | C14 | C21 | 176.4° | 174.4° |
| C8 | C20 | H201 | H202 | 125.3° | 119.9° |
| C8 | C20 | H201 | H203 | 125.3° | 120.0° |
| C8 | C20 | H202 | H203 | 117.8° | 120.0° |
| C10 | C9 | C11 | H9 | 114.1° | 111.0° |
| C10 | C9 | C11 | C12 | 170.5° | 170.1° |
| C10 | C9 | C11 | O1 | 71.6° | 68.1° |
| C10 | C9 | C11 | H11 | 50.9° | 52.3° |
| C9 | C10 | C19 | H191 | 57.8° | 179.4° |
| C9 | C10 | C19 | H192 | 67.5° | 60.6° |
| C9 | C10 | C19 | H193 | 177.0° | 59.4° |
| C11 | C9 | C10 | C19 | 107.6° | 112.2° |
| C9 | C11 | C12 | O1 | 114.7° | 123.7° |
| C9 | C11 | C12 | H11 | 122.5° | 118.7° |
| C9 | C11 | O1 | H11 | 122.2° | 120.6° |
| C9 | C11 | C12 | C13 | 58.7° | 55.6° |
| C9 | C11 | C12 | H121 | 176.1° | 174.5° |
| C9 | C11 | C12 | H122 | 66.5° | 66.8° |
| C9 | C11 | O1 | HO1 | 180.0° | 179.9° |
| H9 | C9 | C10 | C19 | 9.5° | 0.3° |
| H9 | C9 | C11 | C12 | 56.3° | 59.1° |
| H9 | C9 | C11 | O1 | 174.3° | 179.1° |
| H9 | C9 | C11 | H11 | 63.2° | 58.7° |
| C10 | C19 | H191 | H192 | 125.2° | 120.0° |
| C10 | C19 | H191 | H193 | 125.2° | 120.0° |
| C10 | C19 | H192 | H193 | 118.3° | 120.0° |
| C12 | C11 | O1 | H11 | 119.6° | 116.9° |
| C11 | C12 | C13 | H121 | 125.3° | 118.2° |
| C11 | C12 | C13 | H122 | 125.2° | 121.3° |
| C11 | C12 | H121 | H122 | 117.3° | 119.6° |
| C11 | C12 | C13 | C14 | 56.5° | 60.9° |
| C11 | C12 | C13 | C17 | 178.5° | 176.9° |
| C11 | C12 | C13 | H13 | 68.4° | 61.3° |
| C12 | C11 | O1 | HO1 | 61.7° | 57.6° |
| O1 | C11 | C12 | C13 | 56.0° | 68.1° |
| O1 | C11 | C12 | H121 | 69.2° | 50.8° |
| O1 | C11 | C12 | H122 | 178.8° | 169.5° |
| H11 | C11 | C12 | C13 | 178.8° | 174.3° |
| H11 | C11 | C12 | H121 | 53.6° | 66.8° |
| H11 | C11 | C12 | H122 | 56.0° | 52.0° |
| H11 | C11 | O1 | HO1 | 57.8° | 59.3° |
| C13 | C12 | H121 | H122 | 117.2° | 122.3° |
| C12 | C13 | C14 | C17 | 135.8° | 125.0° |
| C12 | C13 | C14 | H13 | 110.4° | 121.3° |
| C12 | C13 | C17 | H13 | 107.4° | 123.0° |
| C12 | C13 | C14 | C15 | 178.2° | 173.5° |
| C12 | C13 | C14 | C21 | 72.5° | 59.1° |
| C12 | C13 | C17 | C16 | 159.9° | 158.9° |
| C12 | C13 | C17 | C22 | 16.6° | 21.2° |
| H121 | C12 | C13 | C14 | 178.2° | 179.1° |
| H121 | C12 | C13 | C17 | 53.2° | 64.9° |
| H121 | C12 | C13 | H13 | 56.9° | 57.0° |
| H122 | C12 | C13 | C14 | 68.7° | 60.4° |
| H122 | C12 | C13 | C17 | 56.3° | 55.6° |
| H122 | C12 | C13 | H13 | 166.4° | 177.4° |
| C14 | C13 | C17 | H13 | 125.6° | 116.3° |
| C13 | C14 | C15 | C21 | 108.5° | 116.2° |
| C13 | C14 | C15 | C16 | 35.3° | 39.3° |
| C13 | C14 | C15 | H151 | 160.6° | 79.7° |
| C13 | C14 | C15 | H152 | 90.0° | 156.7° |
| C14 | C13 | C17 | C16 | 32.9° | 38.2° |
| C14 | C13 | C17 | C22 | 143.6° | 142.0° |
| C13 | C14 | C21 | H211 | 53.4° | 50.2° |
| C13 | C14 | C21 | H212 | 71.9° | 69.8° |
| C13 | C14 | C21 | H213 | 178.6° | 170.1° |
| C17 | C13 | C14 | C15 | 42.4° | 48.4° |
| C17 | C13 | C14 | C21 | 63.3° | 65.9° |
| C13 | C17 | C16 | C15 | 10.6° | 13.5° |
| C13 | C17 | C16 | C22 | 177.6° | 179.8° |
| C13 | C17 | C16 | O2 | 122.1° | 133.5° |
| C13 | C17 | C16 | H16 | 112.8° | 105.2° |
| C13 | C17 | C22 | C23 | 2.3° | 9.2° |
| C13 | C17 | C22 | C29 | 176.0° | 170.9° |
| H13 | C13 | C14 | C15 | 71.4° | 65.2° |
| H13 | C13 | C14 | C21 | 177.1° | 179.6° |
| H13 | C13 | C17 | C16 | 92.7° | 78.1° |
| H13 | C13 | C17 | C22 | 90.8° | 101.8° |
| C14 | C15 | C16 | H151 | 125.3° | 120.8° |
| C14 | C15 | C16 | H152 | 125.3° | 117.2° |
| C14 | C15 | H151 | H152 | 119.2° | 123.5° |
| C14 | C15 | C16 | C17 | 16.5° | 16.6° |
| C14 | C15 | C16 | O2 | 86.9° | 103.5° |
| C14 | C15 | C16 | H16 | 145.7° | 135.3° |
| C15 | C14 | C21 | H211 | 51.3° | 59.3° |
| C15 | C14 | C21 | H212 | 176.6° | 179.3° |
| C15 | C14 | C21 | H213 | 73.9° | 60.6° |
| C21 | C14 | C15 | C16 | 73.2° | 77.0° |
| C21 | C14 | C15 | H151 | 52.1° | 164.1° |
| C21 | C14 | C15 | H152 | 161.5° | 40.4° |
| C14 | C21 | H211 | H212 | 125.3° | 119.9° |
| C14 | C21 | H211 | H213 | 125.2° | 120.0° |
| C14 | C21 | H212 | H213 | 115.0° | 120.1° |
| C16 | C15 | H151 | H152 | 119.1° | 121.9° |
| C15 | C16 | C17 | O2 | 111.5° | 119.9° |
| C15 | C16 | C17 | H16 | 123.4° | 118.7° |
| C15 | C16 | O2 | H16 | 124.4° | 121.0° |
| C15 | C16 | C17 | C22 | 167.0° | 166.7° |
| C15 | C16 | O2 | C31 | 89.1° | 93.8° |
| H151 | C15 | C16 | C17 | 141.8° | 104.2° |
| H151 | C15 | C16 | O2 | 38.4° | 135.8° |
| H151 | C15 | C16 | H16 | 89.0° | 14.6° |
| H152 | C15 | C16 | C17 | 108.8° | 133.8° |
| H152 | C15 | C16 | O2 | 147.8° | 13.8° |
| H152 | C15 | C16 | H16 | 20.4° | 107.4° |
| C17 | C16 | O2 | H16 | 127.9° | 121.3° |
| C16 | C17 | C22 | C23 | 178.7° | 171.0° |
| C16 | C17 | C22 | C29 | 0.3° | 8.9° |
| C17 | C16 | O2 | C31 | 163.1° | 148.5° |
| O2 | C16 | C17 | C22 | 55.5° | 46.7° |
| C16 | O2 | C31 | C32 | 179.2° | 174.9° |
| C16 | O2 | C31 | O3 | 0.7° | 5.2° |
| H16 | C16 | C17 | C22 | 69.7° | 74.7° |
| H16 | C16 | O2 | C31 | 35.2° | 27.2° |
| C17 | C22 | C23 | C29 | 178.4° | 180.0° |
| C17 | C22 | C23 | C24 | 164.3° | 91.8° |
| C17 | C22 | C23 | H231 | 70.4° | 28.2° |
| C17 | C22 | C23 | H232 | 39.0° | 148.2° |
| C17 | C22 | C29 | O4 | 139.7° | 6.2° |
| C17 | C22 | C29 | O5 | 45.6° | 173.7° |
| H181 | C18 | H182 | H183 | 120.7° | 119.9° |
| H191 | C19 | H192 | H193 | 118.3° | 120.0° |
| H201 | C20 | H202 | H203 | 117.8° | 120.0° |
| H211 | C21 | H212 | H213 | 115.1° | 120.0° |
| C22 | C23 | C24 | H231 | 125.3° | 120.0° |
| C22 | C23 | C24 | H232 | 125.3° | 120.0° |
| C22 | C23 | H231 | H232 | 113.4° | 120.0° |
| C22 | C23 | C24 | C25 | 160.0° | 175.8° |
| C22 | C23 | C24 | H241 | 34.7° | 55.8° |
| C22 | C23 | C24 | H242 | 74.8° | 64.2° |
| C23 | C22 | C29 | O4 | 38.7° | 173.8° |
| C23 | C22 | C29 | O5 | 136.0° | 6.2° |
| C29 | C22 | C23 | C24 | 14.1° | 88.2° |
| C29 | C22 | C23 | H231 | 111.2° | 151.7° |
| C29 | C22 | C23 | H232 | 139.4° | 31.8° |
| C22 | C29 | O4 | O5 | 175.4° | 179.9° |
| C22 | C29 | O5 | HO5 | 180.0° | 180.0° |
| C24 | C23 | H231 | H232 | 113.6° | 120.0° |
| C23 | C24 | C25 | H241 | 125.3° | 120.0° |
| C23 | C24 | C25 | H242 | 125.2° | 120.0° |
| C23 | C24 | H241 | H242 | 113.7° | 120.0° |
| C23 | C24 | C25 | C26 | 52.1° | 127.5° |
| C23 | C24 | C25 | H25 | 127.9° | 52.4° |
| H231 | C23 | C24 | C25 | 74.8° | 64.1° |
| H231 | C23 | C24 | H241 | 159.9° | 175.8° |
| H231 | C23 | C24 | H242 | 50.5° | 55.8° |
| H232 | C23 | C24 | C25 | 34.7° | 55.8° |
| H232 | C23 | C24 | H241 | 90.6° | 64.2° |
| H232 | C23 | C24 | H242 | 160.0° | 175.8° |
| C25 | C24 | H241 | H242 | 113.8° | 119.9° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 177.0° | 172.4° |
| C24 | C25 | C26 | C28 | 1.4° | 7.7° |
| H241 | C24 | C25 | C26 | 177.3° | 7.5° |
| H241 | C24 | C25 | H25 | 2.6° | 172.5° |
| H242 | C24 | C25 | C26 | 73.1° | 112.5° |
| H242 | C24 | C25 | H25 | 106.9° | 67.6° |
| C25 | C26 | C27 | C28 | 178.6° | 179.9° |
| C25 | C26 | C27 | H271 | 180.0° | 180.0° |
| C25 | C26 | C27 | H272 | 54.7° | 60.0° |
| C25 | C26 | C27 | H273 | 54.8° | 60.1° |
| C25 | C26 | C28 | H281 | 180.0° | 5.5° |
| C25 | C26 | C28 | H282 | 54.7° | 125.5° |
| C25 | C26 | C28 | H283 | 54.7° | 114.5° |
| H25 | C25 | C26 | C27 | 3.0° | 7.6° |
| H25 | C25 | C26 | C28 | 178.6° | 172.4° |
| C26 | C27 | H271 | H272 | 125.2° | 120.0° |
| C26 | C27 | H271 | H273 | 125.2° | 119.9° |
| C26 | C27 | H272 | H273 | 106.5° | 119.9° |
| C27 | C26 | C28 | H281 | 1.0° | 174.5° |
| C27 | C26 | C28 | H282 | 126.4° | 54.4° |
| C27 | C26 | C28 | H283 | 124.3° | 65.6° |
| C28 | C26 | C27 | H271 | 1.4° | 0.0° |
| C28 | C26 | C27 | H272 | 123.9° | 120.0° |
| C28 | C26 | C27 | H273 | 126.6° | 120.0° |
| C26 | C28 | H281 | H282 | 125.3° | 120.0° |
| C26 | C28 | H281 | H283 | 125.3° | 120.0° |
| C26 | C28 | H282 | H283 | 113.4° | 120.0° |
| H271 | C27 | H272 | H273 | 106.5° | 120.1° |
| H281 | C28 | H282 | H283 | 113.3° | 120.0° |
| O4 | C29 | O5 | HO5 | 5.0° | 0.0° |
| C32 | C31 | O2 | O3 | 178.5° | 179.9° |
| C31 | C32 | H321 | H322 | 125.2° | 120.0° |
| C31 | C32 | H321 | H323 | 125.2° | 120.0° |
| C31 | C32 | H322 | H323 | 118.3° | 119.9° |
| O2 | C31 | C32 | H321 | 180.0° | 180.0° |
| O2 | C31 | C32 | H322 | 54.7° | 60.0° |
| O2 | C31 | C32 | H323 | 54.7° | 60.0° |
| O3 | C31 | C32 | H321 | 1.6° | 0.1° |
| O3 | C31 | C32 | H322 | 126.9° | 120.1° |
| O3 | C31 | C32 | H323 | 123.7° | 120.0° |
| H321 | C32 | H322 | H323 | 118.3° | 120.0° |
