BIV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | C25 | sing | 1.43Å | 1.41Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | C10 | sing | 1.52Å | 1.58Å | |
| C1 | O1 | sing | 1.43Å | 1.50Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.60Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.59Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.52Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.35Å | 1.40Å | |
| C5 | C10 | sing | 1.48Å | 1.59Å | |
| C6 | C7 | sing | 1.46Å | 1.49Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | doub | 1.33Å | 1.29Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.52Å | 1.62Å | |
| C8 | C14 | sing | 1.50Å | 1.55Å | |
| C9 | C11 | sing | 1.53Å | 1.62Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C19 | doub | 1.33Å | 1.38Å | |
| C11 | C12 | sing | 1.54Å | 1.63Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.69Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.55Å | 1.65Å | |
| C13 | C17 | sing | 1.52Å | 1.54Å | |
| C13 | C18 | sing | 1.53Å | 1.73Å | |
| C14 | C15 | sing | 1.53Å | 1.70Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.56Å | 1.59Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.54Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C20 | sing | 1.53Å | 1.64Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C19 | H192 | sing | 1.08Å | 1.08Å | |
| C20 | C22 | sing | 1.53Å | 1.59Å | |
| C20 | C21 | sing | 1.53Å | 1.48Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.53Å | 1.46Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C27 | sing | 1.53Å | 1.58Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C21 | C28 | sing | 1.53Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.57Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | O4 | sing | 1.43Å | 1.55Å | |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C30 | C33 | sing | 1.53Å | 1.55Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C3 | C2 | 107.4° | 109.4° |
| O2 | C3 | C4 | 109.2° | 109.4° |
| O2 | C3 | H3 | 111.9° | 109.4° |
| C25 | O3 | HO3 | 109.5° | 114.0° |
| O3 | C25 | C24 | 112.1° | 109.4° |
| O3 | C25 | C26 | 110.4° | 109.5° |
| O3 | C25 | C27 | 106.5° | 109.5° |
| C2 | C1 | C10 | 109.3° | 108.3° |
| C2 | C1 | O1 | 109.2° | 109.6° |
| C2 | C1 | H1 | 110.6° | 109.7° |
| C1 | C2 | C3 | 110.5° | 109.8° |
| C1 | C2 | H21 | 108.9° | 109.4° |
| C1 | C2 | H22 | 109.1° | 109.4° |
| C10 | C1 | O1 | 111.8° | 109.7° |
| C10 | C1 | H1 | 107.9° | 109.7° |
| C1 | C10 | C5 | 114.8° | 116.8° |
| C1 | C10 | C19 | 122.6° | 121.6° |
| O1 | C1 | H1 | 108.0° | 109.7° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C3 | C2 | H21 | 108.9° | 109.4° |
| C3 | C2 | H22 | 109.1° | 109.5° |
| C2 | C3 | C4 | 112.0° | 109.9° |
| C2 | C3 | H3 | 109.1° | 109.4° |
| H21 | C2 | H22 | 110.3° | 109.3° |
| C4 | C3 | H3 | 107.3° | 109.4° |
| C3 | C4 | C5 | 115.3° | 108.4° |
| C3 | C4 | H41 | 106.2° | 109.7° |
| C3 | C4 | H42 | 107.6° | 109.7° |
| C5 | C4 | H41 | 106.2° | 109.7° |
| C5 | C4 | H42 | 107.5° | 109.7° |
| C4 | C5 | C6 | 125.4° | 121.6° |
| C4 | C5 | C10 | 110.1° | 116.8° |
| H41 | C4 | H42 | 114.2° | 109.7° |
| C6 | C5 | C10 | 124.5° | 121.6° |
| C5 | C6 | C7 | 132.3° | 120.0° |
| C5 | C6 | H6 | 113.8° | 120.0° |
| C5 | C10 | C19 | 122.6° | 121.6° |
| C7 | C6 | H6 | 113.9° | 120.0° |
| C6 | C7 | C8 | 131.2° | 120.0° |
| C6 | C7 | H7 | 114.4° | 120.0° |
| C8 | C7 | H7 | 114.4° | 120.0° |
| C7 | C8 | C9 | 125.1° | 122.4° |
| C7 | C8 | C14 | 123.3° | 122.4° |
| C9 | C8 | C14 | 111.6° | 115.2° |
| C8 | C9 | C11 | 112.8° | 110.7° |
| C8 | C9 | H91 | 107.6° | 109.2° |
| C8 | C9 | H92 | 108.4° | 109.2° |
| C8 | C14 | C13 | 112.0° | 105.8° |
| C8 | C14 | C15 | 118.9° | 116.7° |
| C8 | C14 | H14 | 98.4° | 110.7° |
| C11 | C9 | H91 | 107.6° | 109.2° |
| C11 | C9 | H92 | 108.4° | 109.3° |
| C9 | C11 | C12 | 110.2° | 111.8° |
| C9 | C11 | H111 | 109.1° | 109.1° |
| C9 | C11 | H112 | 109.2° | 109.0° |
| H91 | C9 | H92 | 112.1° | 109.2° |
| C10 | C19 | H191 | 127.9° | 120.0° |
| C10 | C19 | H192 | 104.2° | 120.0° |
| C12 | C11 | H111 | 109.1° | 109.0° |
| C12 | C11 | H112 | 109.2° | 109.0° |
| C11 | C12 | C13 | 118.3° | 107.5° |
| C11 | C12 | H121 | 104.6° | 109.9° |
| C11 | C12 | H122 | 106.7° | 109.9° |
| H111 | C11 | H112 | 110.0° | 108.9° |
| C13 | C12 | H121 | 104.6° | 109.8° |
| C13 | C12 | H122 | 106.6° | 109.8° |
| C12 | C13 | C14 | 106.8° | 107.7° |
| C12 | C13 | C17 | 121.9° | 118.3° |
| C12 | C13 | C18 | 101.1° | 109.3° |
| H121 | C12 | H122 | 116.6° | 109.9° |
| C14 | C13 | C17 | 93.0° | 103.2° |
| C14 | C13 | C18 | 112.9° | 109.1° |
| C13 | C14 | C15 | 100.2° | 101.1° |
| C13 | C14 | H14 | 117.8° | 110.8° |
| C17 | C13 | C18 | 120.5° | 108.8° |
| C13 | C17 | C16 | 105.2° | 105.1° |
| C13 | C17 | C20 | 111.4° | 110.3° |
| C13 | C17 | H17 | 113.1° | 110.3° |
| C13 | C18 | H181 | 109.5° | 109.4° |
| C13 | C18 | H182 | 109.5° | 109.5° |
| C13 | C18 | H183 | 109.5° | 109.5° |
| C15 | C14 | H14 | 110.6° | 111.1° |
| C14 | C15 | C16 | 101.0° | 102.7° |
| C14 | C15 | H151 | 114.2° | 110.8° |
| C14 | C15 | H152 | 112.4° | 110.8° |
| C16 | C15 | H151 | 114.1° | 110.7° |
| C16 | C15 | H152 | 112.4° | 110.8° |
| C15 | C16 | C17 | 104.7° | 106.4° |
| C15 | C16 | H161 | 112.1° | 110.1° |
| C15 | C16 | H162 | 111.1° | 110.1° |
| H151 | C15 | H152 | 103.1° | 110.8° |
| C17 | C16 | H161 | 112.1° | 110.4° |
| C17 | C16 | H162 | 111.1° | 109.7° |
| C16 | C17 | C20 | 114.9° | 109.8° |
| C16 | C17 | H17 | 109.4° | 110.8° |
| H161 | C16 | H162 | 105.8° | 110.1° |
| C20 | C17 | H17 | 103.0° | 110.4° |
| C17 | C20 | C22 | 128.1° | 109.5° |
| C17 | C20 | C21 | 109.8° | 109.5° |
| C17 | C20 | H20 | 93.1° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H181 | C18 | H183 | 109.5° | 109.5° |
| H182 | C18 | H183 | 109.5° | 109.5° |
| H191 | C19 | H192 | 127.9° | 120.0° |
| C22 | C20 | C21 | 102.7° | 109.5° |
| C22 | C20 | H20 | 101.7° | 109.5° |
| C20 | C22 | C23 | 110.2° | 109.4° |
| C20 | C22 | H221 | 109.1° | 109.5° |
| C20 | C22 | H222 | 109.2° | 109.5° |
| C21 | C20 | H20 | 123.2° | 109.5° |
| C20 | C21 | C28 | 149.9° | 109.5° |
| C20 | C21 | H211 | 90.1° | 109.5° |
| C20 | C21 | H212 | 97.7° | 109.5° |
| C23 | C22 | H221 | 109.1° | 109.5° |
| C23 | C22 | H222 | 109.3° | 109.5° |
| C22 | C23 | C24 | 119.8° | 109.4° |
| C22 | C23 | H231 | 103.8° | 109.5° |
| C22 | C23 | H232 | 106.2° | 109.5° |
| H221 | C22 | H222 | 110.0° | 109.5° |
| C24 | C23 | H231 | 103.8° | 109.5° |
| C24 | C23 | H232 | 106.2° | 109.4° |
| C23 | C24 | C25 | 126.5° | 109.5° |
| C23 | C24 | H241 | 100.2° | 109.5° |
| C23 | C24 | H242 | 104.2° | 109.5° |
| H231 | C23 | H232 | 118.0° | 109.5° |
| C25 | C24 | H241 | 100.2° | 109.5° |
| C25 | C24 | H242 | 104.1° | 109.4° |
| C24 | C25 | C26 | 109.8° | 109.4° |
| C24 | C25 | C27 | 110.7° | 109.5° |
| H241 | C24 | H242 | 124.0° | 109.4° |
| C26 | C25 | C27 | 107.1° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.4° |
| C25 | C26 | H262 | 109.4° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.4° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.4° | 109.4° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| C28 | C21 | H211 | 90.1° | 109.5° |
| C28 | C21 | H212 | 97.7° | 109.5° |
| C21 | C28 | C29 | 108.5° | 109.5° |
| C21 | C28 | H281 | 110.0° | 109.4° |
| C21 | C28 | H282 | 109.8° | 109.4° |
| H211 | C21 | H212 | 148.7° | 109.4° |
| C29 | C28 | H281 | 110.0° | 109.5° |
| C29 | C28 | H282 | 109.8° | 109.5° |
| C28 | C29 | C30 | 113.7° | 109.5° |
| C28 | C29 | H291 | 107.2° | 109.5° |
| C28 | C29 | H292 | 108.1° | 109.4° |
| H281 | C28 | H282 | 108.7° | 109.5° |
| C30 | C29 | H291 | 107.1° | 109.5° |
| C30 | C29 | H292 | 108.1° | 109.5° |
| C29 | C30 | O4 | 111.8° | 109.5° |
| C29 | C30 | C32 | 109.3° | 109.5° |
| C29 | C30 | C33 | 109.1° | 109.5° |
| H291 | C29 | H292 | 112.8° | 109.4° |
| O4 | C30 | C32 | 109.6° | 109.5° |
| O4 | C30 | C33 | 108.1° | 109.4° |
| C30 | O4 | HO4 | 109.5° | 113.9° |
| C32 | C30 | C33 | 108.8° | 109.4° |
| C30 | C32 | H321 | 109.5° | 109.4° |
| C30 | C32 | H322 | 109.5° | 109.5° |
| C30 | C32 | H323 | 109.5° | 109.4° |
| C30 | C33 | H331 | 109.4° | 109.5° |
| C30 | C33 | H332 | 109.5° | 109.5° |
| C30 | C33 | H333 | 109.5° | 109.4° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.4° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.4° |
| H332 | C33 | H333 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C3 | C2 | C1 | 65.4° | 173.7° |
| O2 | C3 | C2 | C4 | 119.9° | 120.1° |
| O2 | C3 | C2 | H3 | 121.5° | 119.8° |
| O2 | C3 | C2 | H21 | 175.1° | 66.3° |
| O2 | C3 | C2 | H22 | 54.6° | 53.5° |
| O2 | C3 | C4 | H3 | 121.5° | 119.8° |
| O2 | C3 | C4 | C5 | 68.7° | 177.8° |
| O2 | C3 | C4 | H41 | 173.9° | 58.1° |
| O2 | C3 | C4 | H42 | 51.3° | 62.5° |
| HO2 | O2 | C3 | C2 | 3.8° | 180.0° |
| HO2 | O2 | C3 | C4 | 117.8° | 59.6° |
| HO2 | O2 | C3 | H3 | 123.6° | 60.2° |
| O3 | C25 | C24 | C23 | 61.2° | 65.0° |
| O3 | C25 | C24 | C26 | 123.1° | 120.0° |
| O3 | C25 | C24 | C27 | 118.8° | 120.0° |
| O3 | C25 | C24 | H241 | 49.6° | 55.0° |
| O3 | C25 | C24 | H242 | 178.7° | 175.0° |
| O3 | C25 | C26 | C27 | 115.6° | 120.1° |
| O3 | C25 | C26 | H261 | 43.3° | 60.0° |
| O3 | C25 | C26 | H262 | 163.3° | 180.0° |
| O3 | C25 | C26 | H263 | 76.7° | 60.0° |
| O3 | C25 | C27 | H271 | 7.1° | 59.9° |
| O3 | C25 | C27 | H272 | 112.9° | 180.0° |
| O3 | C25 | C27 | H273 | 127.1° | 60.0° |
| HO3 | O3 | C25 | C24 | 175.3° | 180.0° |
| HO3 | O3 | C25 | C26 | 52.5° | 60.0° |
| HO3 | O3 | C25 | C27 | 63.4° | 60.0° |
| C2 | C1 | C10 | O1 | 121.1° | 119.7° |
| C2 | C1 | C10 | H1 | 120.3° | 119.7° |
| C2 | C1 | O1 | H1 | 120.3° | 120.5° |
| C1 | C2 | C3 | H21 | 119.5° | 120.1° |
| C1 | C2 | C3 | H22 | 120.0° | 120.2° |
| C1 | C2 | H21 | H22 | 119.7° | 119.8° |
| C1 | C2 | C3 | C4 | 54.5° | 66.2° |
| C1 | C2 | C3 | H3 | 173.1° | 53.8° |
| C2 | C1 | C10 | C5 | 57.5° | 46.6° |
| C2 | C1 | C10 | C19 | 121.4° | 133.5° |
| C2 | C1 | O1 | HO1 | 64.5° | 180.0° |
| C10 | C1 | O1 | H1 | 118.6° | 120.6° |
| C10 | C1 | C2 | C3 | 57.4° | 57.7° |
| C10 | C1 | C2 | H21 | 62.1° | 62.4° |
| C10 | C1 | C2 | H22 | 177.4° | 177.8° |
| C1 | C10 | C5 | C4 | 51.2° | 43.0° |
| C1 | C10 | C5 | C6 | 129.3° | 136.9° |
| C1 | C10 | C5 | C19 | 178.9° | 180.0° |
| C1 | C10 | C19 | H191 | 179.4° | 0.1° |
| C1 | C10 | C19 | H192 | 0.6° | 180.0° |
| C10 | C1 | O1 | HO1 | 56.6° | 61.1° |
| O1 | C1 | C2 | C3 | 179.9° | 62.1° |
| O1 | C1 | C2 | H21 | 60.5° | 177.9° |
| O1 | C1 | C2 | H22 | 59.9° | 58.1° |
| O1 | C1 | C10 | C5 | 178.5° | 73.1° |
| O1 | C1 | C10 | C19 | 0.4° | 106.8° |
| H1 | C1 | C2 | C3 | 61.2° | 177.4° |
| H1 | C1 | C2 | H21 | 179.3° | 57.3° |
| H1 | C1 | C2 | H22 | 58.8° | 62.4° |
| H1 | C1 | C10 | C5 | 62.8° | 166.3° |
| H1 | C1 | C10 | C19 | 118.3° | 13.8° |
| H1 | C1 | O1 | HO1 | 175.2° | 59.5° |
| C3 | C2 | H21 | H22 | 119.7° | 119.8° |
| C2 | C3 | C4 | H3 | 119.7° | 120.1° |
| C2 | C3 | C4 | C5 | 50.1° | 57.6° |
| C2 | C3 | C4 | H41 | 67.2° | 62.0° |
| C2 | C3 | C4 | H42 | 170.1° | 177.4° |
| H21 | C2 | C3 | C4 | 65.1° | 53.9° |
| H21 | C2 | C3 | H3 | 53.6° | 173.9° |
| H22 | C2 | C3 | C4 | 174.5° | 173.6° |
| H22 | C2 | C3 | H3 | 66.9° | 66.3° |
| C3 | C4 | C5 | H41 | 117.4° | 119.7° |
| C3 | C4 | C5 | H42 | 120.0° | 119.8° |
| C3 | C4 | H41 | H42 | 118.4° | 120.6° |
| C3 | C4 | C5 | C6 | 133.6° | 133.4° |
| C3 | C4 | C5 | C10 | 46.9° | 46.5° |
| H3 | C3 | C4 | C5 | 169.8° | 62.4° |
| H3 | C3 | C4 | H41 | 52.5° | 177.9° |
| H3 | C3 | C4 | H42 | 70.2° | 57.3° |
| C5 | C4 | H41 | H42 | 118.3° | 120.5° |
| C4 | C5 | C6 | C10 | 179.4° | 179.9° |
| C4 | C5 | C6 | C7 | 178.2° | 180.0° |
| C4 | C5 | C6 | H6 | 1.8° | 0.1° |
| C4 | C5 | C10 | C19 | 127.7° | 137.0° |
| H41 | C4 | C5 | C6 | 109.0° | 107.0° |
| H41 | C4 | C5 | C10 | 70.4° | 73.1° |
| H42 | C4 | C5 | C6 | 13.6° | 13.6° |
| H42 | C4 | C5 | C10 | 166.9° | 166.3° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 138.1° | 180.0° |
| C5 | C6 | C7 | H7 | 41.9° | 0.1° |
| C6 | C5 | C10 | C19 | 51.8° | 43.1° |
| C10 | C5 | C6 | C7 | 1.2° | 0.1° |
| C10 | C5 | C6 | H6 | 178.8° | 180.0° |
| C5 | C10 | C19 | H191 | 0.6° | 180.0° |
| C5 | C10 | C19 | H192 | 179.4° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 0.1° | 0.0° |
| C6 | C7 | C8 | C14 | 179.6° | 179.7° |
| H6 | C6 | C7 | C8 | 41.9° | 0.0° |
| H6 | C6 | C7 | H7 | 138.1° | 180.0° |
| C7 | C8 | C9 | C14 | 179.7° | 179.7° |
| C7 | C8 | C9 | C11 | 119.8° | 129.8° |
| C7 | C8 | C9 | H91 | 1.3° | 109.9° |
| C7 | C8 | C9 | H92 | 120.2° | 9.4° |
| C7 | C8 | C14 | C13 | 115.9° | 121.9° |
| C7 | C8 | C14 | C15 | 0.3° | 10.3° |
| C7 | C8 | C14 | H14 | 119.5° | 118.1° |
| H7 | C7 | C8 | C9 | 179.9° | 180.0° |
| H7 | C7 | C8 | C14 | 0.4° | 0.3° |
| C8 | C9 | C11 | H91 | 118.5° | 120.3° |
| C8 | C9 | C11 | H92 | 120.0° | 120.3° |
| C8 | C9 | H91 | H92 | 119.1° | 119.4° |
| C8 | C9 | C11 | C12 | 47.7° | 48.5° |
| C8 | C9 | C11 | H111 | 72.0° | 169.2° |
| C8 | C9 | C11 | H112 | 167.7° | 72.0° |
| C9 | C8 | C14 | C13 | 63.9° | 57.9° |
| C9 | C8 | C14 | C15 | 180.0° | 169.4° |
| C9 | C8 | C14 | H14 | 60.7° | 62.2° |
| C14 | C8 | C9 | C11 | 59.9° | 49.9° |
| C14 | C8 | C9 | H91 | 178.4° | 70.4° |
| C14 | C8 | C9 | H92 | 60.1° | 170.3° |
| C8 | C14 | C13 | C12 | 54.5° | 66.3° |
| C8 | C14 | C13 | C15 | 127.1° | 122.1° |
| C8 | C14 | C13 | H14 | 113.0° | 120.0° |
| C8 | C14 | C13 | C17 | 179.2° | 167.8° |
| C8 | C14 | C13 | C18 | 55.7° | 52.2° |
| C8 | C14 | C15 | H14 | 112.8° | 128.2° |
| C8 | C14 | C15 | C16 | 155.6° | 156.2° |
| C8 | C14 | C15 | H151 | 81.5° | 37.9° |
| C8 | C14 | C15 | H152 | 35.6° | 85.4° |
| C11 | C9 | H91 | H92 | 119.1° | 119.4° |
| C9 | C11 | C12 | H111 | 119.7° | 120.7° |
| C9 | C11 | C12 | H112 | 120.0° | 120.6° |
| C9 | C11 | H111 | H112 | 119.8° | 118.9° |
| C9 | C11 | C12 | C13 | 43.8° | 59.0° |
| C9 | C11 | C12 | H121 | 159.7° | 60.5° |
| C9 | C11 | C12 | H122 | 76.2° | 178.5° |
| H91 | C9 | C11 | C12 | 166.3° | 71.8° |
| H91 | C9 | C11 | H111 | 46.6° | 48.9° |
| H91 | C9 | C11 | H112 | 73.7° | 167.7° |
| H92 | C9 | C11 | C12 | 72.3° | 168.9° |
| H92 | C9 | C11 | H111 | 168.0° | 70.5° |
| H92 | C9 | C11 | H112 | 47.7° | 48.3° |
| C10 | C19 | H191 | H192 | 179.9° | 180.0° |
| C12 | C11 | H111 | H112 | 119.8° | 118.8° |
| C11 | C12 | C13 | H121 | 115.8° | 119.5° |
| C11 | C12 | C13 | H122 | 120.0° | 119.5° |
| C11 | C12 | H121 | H122 | 117.5° | 121.0° |
| C11 | C12 | C13 | C14 | 46.2° | 67.9° |
| C11 | C12 | C13 | C17 | 150.9° | 175.6° |
| C11 | C12 | C13 | C18 | 72.1° | 50.4° |
| H111 | C11 | C12 | C13 | 75.9° | 179.7° |
| H111 | C11 | C12 | H121 | 40.0° | 60.2° |
| H111 | C11 | C12 | H122 | 164.1° | 60.8° |
| H112 | C11 | C12 | C13 | 163.9° | 61.6° |
| H112 | C11 | C12 | H121 | 80.3° | 178.9° |
| H112 | C11 | C12 | H122 | 43.8° | 57.9° |
| C13 | C12 | H121 | H122 | 117.5° | 120.9° |
| C12 | C13 | C14 | C17 | 124.7° | 125.9° |
| C12 | C13 | C14 | C18 | 110.2° | 118.5° |
| C12 | C13 | C17 | C18 | 129.0° | 125.5° |
| C12 | C13 | C14 | C15 | 178.4° | 171.6° |
| C12 | C13 | C14 | H14 | 58.5° | 53.7° |
| C12 | C13 | C17 | C16 | 169.0° | 149.5° |
| C12 | C13 | C17 | C20 | 65.9° | 92.2° |
| C12 | C13 | C17 | H17 | 49.6° | 30.0° |
| C12 | C13 | C18 | H181 | 115.6° | 59.3° |
| C12 | C13 | C18 | H182 | 124.4° | 179.3° |
| C12 | C13 | C18 | H183 | 4.4° | 60.7° |
| H121 | C12 | C13 | C14 | 162.0° | 51.6° |
| H121 | C12 | C13 | C17 | 93.3° | 64.8° |
| H121 | C12 | C13 | C18 | 43.7° | 169.9° |
| H122 | C12 | C13 | C14 | 73.9° | 172.6° |
| H122 | C12 | C13 | C17 | 30.9° | 56.1° |
| H122 | C12 | C13 | C18 | 167.9° | 69.1° |
| C14 | C13 | C17 | C18 | 118.9° | 115.7° |
| C13 | C14 | C15 | H14 | 125.0° | 117.6° |
| C13 | C14 | C15 | C16 | 33.3° | 42.0° |
| C13 | C14 | C15 | H151 | 156.3° | 76.2° |
| C13 | C14 | C15 | H152 | 86.7° | 160.4° |
| C14 | C13 | C17 | C16 | 57.0° | 30.7° |
| C14 | C13 | C17 | C20 | 177.9° | 149.0° |
| C14 | C13 | C17 | H17 | 62.4° | 88.8° |
| C14 | C13 | C18 | H181 | 130.6° | 58.2° |
| C14 | C13 | C18 | H182 | 10.6° | 61.8° |
| C14 | C13 | C18 | H183 | 109.4° | 178.2° |
| C17 | C13 | C14 | C15 | 53.7° | 45.6° |
| C17 | C13 | C14 | H14 | 66.2° | 72.2° |
| C13 | C17 | C16 | C15 | 37.7° | 4.5° |
| C13 | C17 | C16 | C20 | 122.9° | 118.6° |
| C13 | C17 | C16 | H17 | 121.8° | 119.1° |
| C13 | C17 | C16 | H161 | 159.5° | 115.0° |
| C13 | C17 | C16 | H162 | 82.3° | 123.5° |
| C13 | C17 | C20 | H17 | 121.5° | 122.2° |
| C17 | C13 | C18 | H181 | 22.2° | 170.1° |
| C17 | C13 | C18 | H182 | 97.8° | 50.1° |
| C17 | C13 | C18 | H183 | 142.2° | 69.9° |
| C13 | C17 | C20 | C22 | 68.0° | 180.0° |
| C13 | C17 | C20 | C21 | 166.6° | 60.0° |
| C13 | C17 | C20 | H20 | 39.5° | 60.0° |
| C18 | C13 | C14 | C15 | 71.4° | 69.9° |
| C18 | C13 | C14 | H14 | 168.7° | 172.2° |
| C18 | C13 | C17 | C16 | 62.0° | 85.0° |
| C18 | C13 | C17 | C20 | 63.2° | 33.2° |
| C18 | C13 | C17 | H17 | 178.6° | 155.5° |
| C13 | C18 | H181 | H182 | 120.0° | 120.0° |
| C13 | C18 | H181 | H183 | 120.0° | 120.0° |
| C13 | C18 | H182 | H183 | 120.0° | 120.0° |
| C14 | C15 | C16 | H151 | 123.0° | 118.3° |
| C14 | C15 | C16 | H152 | 120.0° | 118.3° |
| C14 | C15 | H151 | H152 | 122.3° | 123.4° |
| C14 | C15 | C16 | C17 | 0.5° | 23.7° |
| C14 | C15 | C16 | H161 | 122.3° | 143.4° |
| C14 | C15 | C16 | H162 | 119.5° | 95.1° |
| H14 | C14 | C15 | C16 | 91.7° | 75.6° |
| H14 | C14 | C15 | H151 | 31.3° | 166.1° |
| H14 | C14 | C15 | H152 | 148.3° | 42.8° |
| C16 | C15 | H151 | H152 | 122.3° | 123.3° |
| C15 | C16 | C17 | H161 | 121.8° | 119.4° |
| C15 | C16 | C17 | H162 | 120.0° | 119.1° |
| C15 | C16 | H161 | H162 | 121.3° | 121.5° |
| C15 | C16 | C17 | C20 | 160.6° | 123.1° |
| C15 | C16 | C17 | H17 | 84.0° | 114.7° |
| H151 | C15 | C16 | C17 | 122.5° | 94.6° |
| H151 | C15 | C16 | H161 | 0.7° | 25.1° |
| H151 | C15 | C16 | H162 | 117.5° | 146.6° |
| H152 | C15 | C16 | C17 | 120.5° | 142.1° |
| H152 | C15 | C16 | H161 | 117.7° | 98.3° |
| H152 | C15 | C16 | H162 | 0.5° | 23.2° |
| C17 | C16 | H161 | H162 | 121.3° | 121.3° |
| C16 | C17 | C20 | H17 | 119.0° | 122.5° |
| C16 | C17 | C20 | C22 | 51.6° | 64.7° |
| C16 | C17 | C20 | C21 | 73.8° | 175.3° |
| C16 | C17 | C20 | H20 | 159.1° | 55.3° |
| H161 | C16 | C17 | C20 | 77.6° | 3.7° |
| H161 | C16 | C17 | H17 | 37.7° | 125.9° |
| H162 | C16 | C17 | C20 | 40.7° | 117.9° |
| H162 | C16 | C17 | H17 | 156.0° | 4.4° |
| C17 | C20 | C22 | C21 | 128.2° | 120.0° |
| C17 | C20 | C22 | H20 | 103.5° | 120.0° |
| C17 | C20 | C21 | H20 | 107.8° | 120.0° |
| C17 | C20 | C22 | C23 | 117.0° | 63.0° |
| C17 | C20 | C22 | H221 | 123.3° | 177.0° |
| C17 | C20 | C22 | H222 | 3.1° | 56.9° |
| C17 | C20 | C21 | C28 | 138.8° | 175.6° |
| C17 | C20 | C21 | H211 | 130.8° | 64.5° |
| C17 | C20 | C21 | H212 | 18.8° | 55.5° |
| H17 | C17 | C20 | C22 | 170.5° | 57.8° |
| H17 | C17 | C20 | C21 | 45.1° | 62.2° |
| H17 | C17 | C20 | H20 | 82.0° | 177.8° |
| H181 | C18 | H182 | H183 | 120.0° | 120.0° |
| C22 | C20 | C21 | H20 | 113.3° | 120.0° |
| C20 | C22 | C23 | H221 | 119.7° | 120.0° |
| C20 | C22 | C23 | H222 | 120.0° | 120.0° |
| C20 | C22 | H221 | H222 | 119.8° | 120.0° |
| C20 | C22 | C23 | C24 | 179.3° | 176.2° |
| C20 | C22 | C23 | H231 | 64.3° | 56.1° |
| C20 | C22 | C23 | H232 | 60.8° | 63.9° |
| C22 | C20 | C21 | C28 | 0.1° | 64.5° |
| C22 | C20 | C21 | H211 | 90.4° | 55.5° |
| C22 | C20 | C21 | H212 | 120.1° | 175.5° |
| C21 | C20 | C22 | C23 | 114.8° | 56.9° |
| C21 | C20 | C22 | H221 | 4.9° | 63.0° |
| C21 | C20 | C22 | H222 | 125.1° | 176.9° |
| C20 | C21 | C28 | H211 | 90.4° | 120.0° |
| C20 | C21 | C28 | H212 | 120.0° | 120.0° |
| C20 | C21 | H211 | H212 | 105.1° | 120.0° |
| C20 | C21 | C28 | C29 | 147.8° | 174.8° |
| C20 | C21 | C28 | H281 | 27.4° | 54.8° |
| C20 | C21 | C28 | H282 | 92.2° | 65.2° |
| H20 | C20 | C22 | C23 | 13.5° | 176.9° |
| H20 | C20 | C22 | H221 | 133.2° | 56.9° |
| H20 | C20 | C22 | H222 | 106.5° | 63.1° |
| H20 | C20 | C21 | C28 | 113.4° | 55.5° |
| H20 | C20 | C21 | H211 | 23.0° | 175.5° |
| H20 | C20 | C21 | H212 | 126.6° | 64.5° |
| C23 | C22 | H221 | H222 | 119.8° | 120.0° |
| C22 | C23 | C24 | H231 | 115.0° | 120.0° |
| C22 | C23 | C24 | H232 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 117.1° | 120.0° |
| C22 | C23 | C24 | C25 | 122.0° | 180.0° |
| C22 | C23 | C24 | H241 | 11.1° | 60.0° |
| C22 | C23 | C24 | H242 | 118.0° | 60.0° |
| H221 | C22 | C23 | C24 | 61.0° | 63.8° |
| H221 | C22 | C23 | H231 | 176.0° | 176.1° |
| H221 | C22 | C23 | H232 | 59.0° | 56.1° |
| H222 | C22 | C23 | C24 | 59.3° | 56.2° |
| H222 | C22 | C23 | H231 | 55.7° | 63.8° |
| H222 | C22 | C23 | H232 | 179.2° | 176.2° |
| C24 | C23 | H231 | H232 | 117.0° | 120.0° |
| C23 | C24 | C25 | H241 | 110.9° | 120.1° |
| C23 | C24 | C25 | H242 | 120.0° | 120.0° |
| C23 | C24 | H241 | H242 | 114.9° | 120.0° |
| C23 | C24 | C25 | C26 | 61.9° | 54.9° |
| C23 | C24 | C25 | C27 | 180.0° | 175.0° |
| H231 | C23 | C24 | C25 | 123.1° | 60.0° |
| H231 | C23 | C24 | H241 | 126.1° | NaN° |
| H231 | C23 | C24 | H242 | 3.1° | 60.0° |
| H232 | C23 | C24 | C25 | 2.0° | 60.0° |
| H232 | C23 | C24 | H241 | 108.9° | 60.0° |
| H232 | C23 | C24 | H242 | 122.0° | 180.0° |
| C25 | C24 | H241 | H242 | 114.9° | 119.9° |
| C24 | C25 | C26 | C27 | 120.3° | 120.0° |
| C24 | C25 | C26 | H261 | 167.4° | 179.9° |
| C24 | C25 | C26 | H262 | 72.6° | 60.1° |
| C24 | C25 | C26 | H263 | 47.4° | 60.0° |
| C24 | C25 | C27 | H271 | 129.2° | 60.0° |
| C24 | C25 | C27 | H272 | 9.2° | 60.0° |
| C24 | C25 | C27 | H273 | 110.7° | 180.0° |
| H241 | C24 | C25 | C26 | 172.7° | 175.0° |
| H241 | C24 | C25 | C27 | 69.2° | 65.0° |
| H242 | C24 | C25 | C26 | 58.1° | 65.1° |
| H242 | C24 | C25 | C27 | 60.0° | 55.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.1° |
| C26 | C25 | C27 | H271 | 111.1° | 180.0° |
| C26 | C25 | C27 | H272 | 128.9° | 60.0° |
| C26 | C25 | C27 | H273 | 9.0° | 60.0° |
| C27 | C25 | C26 | H261 | 72.3° | 60.1° |
| C27 | C25 | C26 | H262 | 47.7° | 59.9° |
| C27 | C25 | C26 | H263 | 167.7° | 180.0° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 120.0° | 119.9° |
| C25 | C27 | H272 | H273 | 120.0° | 120.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| C28 | C21 | H211 | H212 | 105.0° | 120.0° |
| C21 | C28 | C29 | H281 | 120.4° | 120.0° |
| C21 | C28 | C29 | H282 | 120.0° | 120.0° |
| C21 | C28 | H281 | H282 | 120.2° | 120.0° |
| C21 | C28 | C29 | C30 | 110.7° | 180.0° |
| C21 | C28 | C29 | H291 | 7.4° | 60.0° |
| C21 | C28 | C29 | H292 | 129.3° | 60.0° |
| H211 | C21 | C28 | C29 | 121.8° | 65.2° |
| H211 | C21 | C28 | H281 | 117.8° | 174.8° |
| H211 | C21 | C28 | H282 | 1.8° | 54.8° |
| H212 | C21 | C28 | C29 | 27.8° | 54.8° |
| H212 | C21 | C28 | H281 | 92.6° | 65.2° |
| H212 | C21 | C28 | H282 | 147.8° | 174.8° |
| C29 | C28 | H281 | H282 | 120.3° | 120.0° |
| C28 | C29 | C30 | H291 | 118.2° | 120.0° |
| C28 | C29 | C30 | H292 | 120.0° | 120.0° |
| C28 | C29 | H291 | H292 | 118.9° | 119.9° |
| C28 | C29 | C30 | O4 | 21.2° | 65.0° |
| C28 | C29 | C30 | C32 | 100.4° | 175.0° |
| C28 | C29 | C30 | C33 | 140.7° | 55.0° |
| H281 | C28 | C29 | C30 | 128.9° | 60.0° |
| H281 | C28 | C29 | H291 | 112.9° | 180.0° |
| H281 | C28 | C29 | H292 | 8.9° | 60.0° |
| H282 | C28 | C29 | C30 | 9.3° | 60.0° |
| H282 | C28 | C29 | H291 | 127.5° | 60.0° |
| H282 | C28 | C29 | H292 | 110.7° | 179.9° |
| C30 | C29 | H291 | H292 | 118.8° | 120.0° |
| C29 | C30 | O4 | C32 | 121.4° | 120.1° |
| C29 | C30 | O4 | C33 | 120.1° | 120.0° |
| C29 | C30 | C32 | C33 | 119.1° | 120.0° |
| C29 | C30 | O4 | HO4 | 29.8° | 60.0° |
| C29 | C30 | C32 | H321 | 143.4° | 59.9° |
| C29 | C30 | C32 | H322 | 23.4° | 180.0° |
| C29 | C30 | C32 | H323 | 96.6° | 60.0° |
| C29 | C30 | C33 | H331 | 177.3° | 59.9° |
| C29 | C30 | C33 | H332 | 62.7° | 180.0° |
| C29 | C30 | C33 | H333 | 57.3° | 60.0° |
| H291 | C29 | C30 | O4 | 139.4° | 55.0° |
| H291 | C29 | C30 | C32 | 17.8° | 65.0° |
| H291 | C29 | C30 | C33 | 101.1° | 175.0° |
| H292 | C29 | C30 | O4 | 98.8° | 175.0° |
| H292 | C29 | C30 | C32 | 139.6° | 55.0° |
| H292 | C29 | C30 | C33 | 20.7° | 65.0° |
| O4 | C30 | C32 | C33 | 118.0° | 119.9° |
| O4 | C30 | C32 | H321 | 20.5° | 180.0° |
| O4 | C30 | C32 | H322 | 99.6° | 60.0° |
| O4 | C30 | C32 | H323 | 140.5° | 60.1° |
| O4 | C30 | C33 | H331 | 55.5° | 60.1° |
| O4 | C30 | C33 | H332 | 175.5° | 60.0° |
| O4 | C30 | C33 | H333 | 64.5° | 180.0° |
| C32 | C30 | O4 | HO4 | 91.6° | 60.1° |
| C30 | C32 | H321 | H322 | 120.0° | 120.0° |
| C30 | C32 | H321 | H323 | 120.1° | 119.9° |
| C30 | C32 | H322 | H323 | 120.0° | 120.0° |
| C32 | C30 | C33 | H331 | 63.5° | 180.0° |
| C32 | C30 | C33 | H332 | 56.5° | 60.0° |
| C32 | C30 | C33 | H333 | 176.5° | 60.1° |
| C33 | C30 | O4 | HO4 | 149.9° | 180.0° |
| C33 | C30 | C32 | H321 | 97.5° | 60.1° |
| C33 | C30 | C32 | H322 | 142.4° | 60.0° |
| C33 | C30 | C32 | H323 | 22.5° | 180.0° |
| C30 | C33 | H331 | H332 | 120.0° | 120.1° |
| C30 | C33 | H331 | H333 | 120.0° | 119.9° |
| C30 | C33 | H332 | H333 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
