VTQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C9 | sing | 1.43Å | 1.43Å | |
| O3 | H3 | sing | 0.97Å | 0.99Å | |
| C9 | C14 | sing | 1.53Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C9 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | C3 | sing | 1.51Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C3 | C2 | doub | 1.34Å | 1.39Å | |
| C3 | C4 | sing | 1.48Å | 1.39Å | |
| C2 | C8 | sing | 1.51Å | 1.51Å | |
| C2 | C7 | sing | 1.48Å | 1.39Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8C3 | sing | 1.09Å | 1.10Å | |
| C4 | O1 | doub | 1.21Å | 1.23Å | |
| C4 | C5 | sing | 1.48Å | 1.38Å | |
| C5 | C12 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.34Å | 1.40Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C6 | C13 | sing | 1.51Å | 1.51Å | |
| C6 | C7 | sing | 1.48Å | 1.39Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C7 | O2 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C1 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H1C1 | sing | 1.09Å | 1.10Å | |
| C1 | H1C2 | sing | 1.09Å | 1.10Å | |
| C1 | H1C3 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | C29 | sing | 1.53Å | 1.52Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O3 | H3 | 109.5° | 106.8° |
| O3 | C9 | C14 | 110.8° | 109.5° |
| O3 | C9 | C11 | 107.4° | 109.4° |
| O3 | C9 | C15 | 110.8° | 109.4° |
| C14 | C9 | C11 | 109.2° | 109.5° |
| C14 | C9 | C15 | 108.6° | 109.5° |
| C9 | C14 | H141 | 109.5° | 109.5° |
| C9 | C14 | H142 | 109.4° | 109.5° |
| C9 | C14 | H143 | 109.5° | 109.5° |
| C11 | C9 | C15 | 110.0° | 109.5° |
| C9 | C11 | C10 | 111.2° | 109.4° |
| C9 | C11 | H111 | 109.0° | 109.5° |
| C9 | C11 | H112 | 108.5° | 109.5° |
| C9 | C15 | C16 | 111.7° | 109.5° |
| C9 | C15 | H151 | 108.9° | 109.5° |
| C9 | C15 | H152 | 108.2° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H141 | C14 | H143 | 109.5° | 109.4° |
| H142 | C14 | H143 | 109.5° | 109.5° |
| C10 | C11 | H111 | 109.0° | 109.5° |
| C10 | C11 | H112 | 108.5° | 109.4° |
| C11 | C10 | C3 | 104.2° | 109.4° |
| C11 | C10 | H101 | 110.8° | 109.5° |
| C11 | C10 | H102 | 112.5° | 109.5° |
| H111 | C11 | H112 | 110.7° | 109.5° |
| C3 | C10 | H101 | 110.8° | 109.5° |
| C3 | C10 | H102 | 112.5° | 109.5° |
| C10 | C3 | C2 | 122.0° | 120.0° |
| C10 | C3 | C4 | 117.4° | 120.0° |
| H101 | C10 | H102 | 106.2° | 109.5° |
| C2 | C3 | C4 | 120.6° | 120.0° |
| C3 | C2 | C8 | 120.4° | 120.0° |
| C3 | C2 | C7 | 119.3° | 120.0° |
| C3 | C4 | O1 | 119.3° | 120.0° |
| C3 | C4 | C5 | 120.3° | 120.0° |
| C8 | C2 | C7 | 120.3° | 120.0° |
| C2 | C8 | H8C1 | 109.5° | 109.5° |
| C2 | C8 | H8C2 | 109.5° | 109.5° |
| C2 | C8 | H8C3 | 109.5° | 109.5° |
| C2 | C7 | C6 | 120.1° | 120.0° |
| C2 | C7 | O2 | 120.2° | 120.0° |
| H8C1 | C8 | H8C2 | 109.4° | 109.5° |
| H8C1 | C8 | H8C3 | 109.5° | 109.5° |
| H8C2 | C8 | H8C3 | 109.5° | 109.4° |
| O1 | C4 | C5 | 120.4° | 120.0° |
| C4 | C5 | C12 | 119.1° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.0° |
| C12 | C5 | C6 | 121.3° | 120.0° |
| C5 | C12 | H121 | 109.5° | 109.5° |
| C5 | C12 | H122 | 109.5° | 109.5° |
| C5 | C12 | H123 | 109.5° | 109.5° |
| C5 | C6 | C13 | 120.1° | 120.0° |
| C5 | C6 | C7 | 120.1° | 120.0° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.4° |
| C13 | C6 | C7 | 119.7° | 120.0° |
| C6 | C13 | H131 | 109.5° | 109.4° |
| C6 | C13 | H132 | 109.5° | 109.5° |
| C6 | C13 | H133 | 109.4° | 109.5° |
| C6 | C7 | O2 | 119.8° | 120.0° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.6° |
| C16 | C15 | H151 | 108.9° | 109.5° |
| C16 | C15 | H152 | 108.2° | 109.5° |
| C15 | C16 | C17 | 111.0° | 109.5° |
| C15 | C16 | H161 | 109.1° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.5° |
| H151 | C15 | H152 | 110.9° | 109.4° |
| C17 | C16 | H161 | 109.1° | 109.4° |
| C17 | C16 | H162 | 108.6° | 109.5° |
| C16 | C17 | C18 | 111.6° | 109.5° |
| C16 | C17 | H171 | 108.9° | 109.5° |
| C16 | C17 | H172 | 108.2° | 109.5° |
| H161 | C16 | H162 | 110.5° | 109.5° |
| C18 | C17 | H171 | 108.9° | 109.4° |
| C18 | C17 | H172 | 108.2° | 109.4° |
| C17 | C18 | C19 | 112.5° | 109.5° |
| C17 | C18 | C20 | 108.7° | 109.5° |
| C17 | C18 | H18 | 107.9° | 109.5° |
| H171 | C17 | H172 | 111.0° | 109.4° |
| C19 | C18 | C20 | 109.2° | 109.4° |
| C19 | C18 | H18 | 107.3° | 109.5° |
| C18 | C19 | H191 | 109.5° | 109.5° |
| C18 | C19 | H192 | 109.5° | 109.4° |
| C18 | C19 | H193 | 109.5° | 109.5° |
| C20 | C18 | H18 | 111.3° | 109.4° |
| C18 | C20 | C21 | 109.6° | 109.6° |
| C18 | C20 | H201 | 109.4° | 109.5° |
| C18 | C20 | H202 | 109.4° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.5° |
| C21 | C20 | H201 | 109.4° | 109.5° |
| C21 | C20 | H202 | 109.4° | 109.4° |
| C20 | C21 | C22 | 105.0° | 109.5° |
| C20 | C21 | H211 | 110.5° | 109.5° |
| C20 | C21 | H212 | 112.0° | 109.4° |
| H201 | C20 | H202 | 109.6° | 109.4° |
| C22 | C21 | H211 | 110.6° | 109.5° |
| C22 | C21 | H212 | 112.0° | 109.5° |
| C21 | C22 | C23 | 109.5° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.5° |
| C21 | C22 | H222 | 109.4° | 109.5° |
| H211 | C21 | H212 | 106.7° | 109.4° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C23 | C22 | H222 | 109.4° | 109.5° |
| C22 | C23 | C1 | 107.9° | 109.5° |
| C22 | C23 | C24 | 111.4° | 109.5° |
| C22 | C23 | H23 | 110.6° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| C1 | C23 | C24 | 113.3° | 109.5° |
| C1 | C23 | H23 | 108.7° | 109.5° |
| C23 | C1 | H1C1 | 109.5° | 109.5° |
| C23 | C1 | H1C2 | 109.4° | 109.5° |
| C23 | C1 | H1C3 | 109.5° | 109.5° |
| C24 | C23 | H23 | 104.9° | 109.4° |
| C23 | C24 | C25 | 116.4° | 109.5° |
| C23 | C24 | H241 | 107.7° | 109.5° |
| C23 | C24 | H242 | 105.4° | 109.5° |
| H1C1 | C1 | H1C2 | 109.5° | 109.5° |
| H1C1 | C1 | H1C3 | 109.5° | 109.4° |
| H1C2 | C1 | H1C3 | 109.5° | 109.5° |
| C25 | C24 | H241 | 107.7° | 109.5° |
| C25 | C24 | H242 | 105.4° | 109.4° |
| C24 | C25 | C26 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| H241 | C24 | H242 | 114.5° | 109.4° |
| C26 | C25 | H251 | 109.4° | 109.5° |
| C26 | C25 | H252 | 109.4° | 109.4° |
| C25 | C26 | C27 | 112.7° | 109.5° |
| C25 | C26 | H261 | 108.6° | 109.5° |
| C25 | C26 | H262 | 107.6° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| C27 | C26 | H261 | 108.7° | 109.5° |
| C27 | C26 | H262 | 107.6° | 109.5° |
| C26 | C27 | C28 | 109.6° | 109.5° |
| C26 | C27 | C29 | 112.0° | 109.5° |
| C26 | C27 | H27 | 107.8° | 109.4° |
| H261 | C26 | H262 | 111.7° | 109.4° |
| C28 | C27 | C29 | 110.1° | 109.5° |
| C28 | C27 | H27 | 109.8° | 109.5° |
| C27 | C28 | H281 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.5° | 109.4° |
| C27 | C28 | H283 | 109.4° | 109.5° |
| C29 | C27 | H27 | 107.3° | 109.5° |
| C27 | C29 | H291 | 109.5° | 109.5° |
| C27 | C29 | H292 | 109.4° | 109.5° |
| C27 | C29 | H293 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.4° | 109.4° |
| H292 | C29 | H293 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C9 | C14 | C11 | 118.1° | 120.0° |
| O3 | C9 | C14 | C15 | 121.9° | 120.0° |
| O3 | C9 | C11 | C15 | 120.7° | 119.9° |
| O3 | C9 | C14 | H141 | 65.1° | 180.0° |
| O3 | C9 | C14 | H142 | 174.8° | 60.0° |
| O3 | C9 | C14 | H143 | 54.9° | 60.0° |
| O3 | C9 | C11 | C10 | 66.4° | 60.0° |
| O3 | C9 | C11 | H111 | 173.4° | 59.9° |
| O3 | C9 | C11 | H112 | 52.8° | 180.0° |
| O3 | C9 | C15 | C16 | 162.5° | 60.1° |
| O3 | C9 | C15 | H151 | 77.1° | 60.0° |
| O3 | C9 | C15 | H152 | 43.6° | 180.0° |
| H3 | O3 | C9 | C14 | 57.0° | 180.0° |
| H3 | O3 | C9 | C11 | 62.3° | 60.0° |
| H3 | O3 | C9 | C15 | 177.6° | 60.0° |
| C14 | C9 | C11 | C15 | 119.1° | 120.1° |
| C9 | C14 | H141 | H142 | 120.0° | 120.0° |
| C9 | C14 | H141 | H143 | 120.0° | 120.0° |
| C9 | C14 | H142 | H143 | 120.0° | 120.0° |
| C14 | C9 | C11 | C10 | 173.3° | 60.0° |
| C14 | C9 | C11 | H111 | 53.1° | 179.9° |
| C14 | C9 | C11 | H112 | 67.5° | 60.0° |
| C14 | C9 | C15 | C16 | 40.6° | 59.9° |
| C14 | C9 | C15 | H151 | 160.9° | 180.0° |
| C14 | C9 | C15 | H152 | 78.4° | 60.0° |
| C11 | C9 | C14 | H141 | 53.0° | 60.0° |
| C11 | C9 | C14 | H142 | 67.0° | 180.0° |
| C11 | C9 | C14 | H143 | 173.0° | 60.0° |
| C9 | C11 | C10 | H111 | 120.2° | 120.0° |
| C9 | C11 | C10 | H112 | 119.2° | 119.9° |
| C9 | C11 | H111 | H112 | 119.2° | 120.0° |
| C9 | C11 | C10 | C3 | 157.3° | 180.0° |
| C9 | C11 | C10 | H101 | 38.2° | 59.9° |
| C9 | C11 | C10 | H102 | 80.5° | 60.0° |
| C11 | C9 | C15 | C16 | 78.9° | 180.0° |
| C11 | C9 | C15 | H151 | 41.4° | 59.9° |
| C11 | C9 | C15 | H152 | 162.1° | 60.1° |
| C15 | C9 | C14 | H141 | 172.9° | 60.1° |
| C15 | C9 | C14 | H142 | 52.9° | 60.0° |
| C15 | C9 | C14 | H143 | 67.1° | 180.0° |
| C15 | C9 | C11 | C10 | 54.3° | 180.0° |
| C15 | C9 | C11 | H111 | 66.0° | 60.0° |
| C15 | C9 | C11 | H112 | 173.5° | 60.1° |
| C9 | C15 | C16 | H151 | 120.4° | 120.1° |
| C9 | C15 | C16 | H152 | 118.9° | 119.9° |
| C9 | C15 | H151 | H152 | 119.0° | 119.9° |
| C9 | C15 | C16 | C17 | 177.8° | 180.0° |
| C9 | C15 | C16 | H161 | 57.6° | 59.9° |
| C9 | C15 | C16 | H162 | 62.9° | 60.0° |
| H141 | C14 | H142 | H143 | 120.0° | 119.9° |
| C10 | C11 | H111 | H112 | 119.2° | 120.0° |
| C11 | C10 | C3 | H101 | 119.1° | 120.0° |
| C11 | C10 | C3 | H102 | 122.2° | 120.0° |
| C11 | C10 | H101 | H102 | 122.5° | 120.0° |
| C11 | C10 | C3 | C2 | 117.0° | 90.0° |
| C11 | C10 | C3 | C4 | 62.5° | 90.3° |
| H111 | C11 | C10 | C3 | 82.4° | 60.0° |
| H111 | C11 | C10 | H101 | 158.4° | 180.0° |
| H111 | C11 | C10 | H102 | 39.7° | 60.0° |
| H112 | C11 | C10 | C3 | 38.1° | 60.0° |
| H112 | C11 | C10 | H101 | 81.0° | 60.0° |
| H112 | C11 | C10 | H102 | 160.3° | 180.0° |
| C3 | C10 | H101 | H102 | 122.5° | 120.0° |
| C10 | C3 | C2 | C4 | 179.4° | 179.7° |
| C10 | C3 | C2 | C8 | 0.4° | 0.0° |
| C10 | C3 | C2 | C7 | 179.9° | 179.9° |
| C10 | C3 | C4 | O1 | 0.5° | 0.3° |
| C10 | C3 | C4 | C5 | 179.7° | 179.8° |
| H101 | C10 | C3 | C2 | 123.9° | 30.0° |
| H101 | C10 | C3 | C4 | 56.7° | 149.7° |
| H102 | C10 | C3 | C2 | 5.2° | 150.0° |
| H102 | C10 | C3 | C4 | 175.4° | 29.7° |
| C3 | C2 | C8 | C7 | 179.7° | 179.9° |
| C3 | C2 | C8 | H8C1 | 104.0° | 180.0° |
| C3 | C2 | C8 | H8C2 | 136.1° | 60.0° |
| C3 | C2 | C8 | H8C3 | 16.0° | 60.0° |
| C2 | C3 | C4 | O1 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.5° |
| C3 | C2 | C7 | C6 | 0.3° | 0.0° |
| C3 | C2 | C7 | O2 | 179.7° | 180.0° |
| C4 | C3 | C2 | C8 | 179.8° | 179.7° |
| C4 | C3 | C2 | C7 | 0.4° | 0.2° |
| C3 | C4 | O1 | C5 | 179.8° | 179.5° |
| C3 | C4 | C5 | C12 | 179.7° | 179.7° |
| C3 | C4 | C5 | C6 | 0.0° | 0.6° |
| C2 | C8 | H8C1 | H8C2 | 120.0° | 120.1° |
| C2 | C8 | H8C1 | H8C3 | 120.0° | 120.0° |
| C2 | C8 | H8C2 | H8C3 | 120.0° | 120.0° |
| C8 | C2 | C7 | C6 | 180.0° | 179.9° |
| C8 | C2 | C7 | O2 | 0.0° | 0.1° |
| C7 | C2 | C8 | H8C1 | 76.3° | 0.1° |
| C7 | C2 | C8 | H8C2 | 43.6° | 120.1° |
| C7 | C2 | C8 | H8C3 | 163.7° | 120.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.0° |
| C2 | C7 | C6 | C13 | 179.8° | 179.9° |
| C2 | C7 | C6 | O2 | 180.0° | 180.0° |
| H8C1 | C8 | H8C2 | H8C3 | 120.0° | 120.0° |
| O1 | C4 | C5 | C12 | 0.0° | 0.2° |
| O1 | C4 | C5 | C6 | 179.7° | 180.0° |
| C4 | C5 | C12 | C6 | 179.7° | 179.7° |
| C4 | C5 | C12 | H121 | 103.1° | 0.3° |
| C4 | C5 | C12 | H122 | 16.9° | 120.3° |
| C4 | C5 | C12 | H123 | 136.9° | 119.8° |
| C4 | C5 | C6 | C13 | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.2° | 0.3° |
| C5 | C12 | H121 | H122 | 120.0° | 120.0° |
| C5 | C12 | H121 | H123 | 120.0° | 120.0° |
| C5 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C5 | C6 | C13 | 0.3° | 0.1° |
| C12 | C5 | C6 | C7 | 179.9° | 180.0° |
| C6 | C5 | C12 | H121 | 77.2° | 180.0° |
| C6 | C5 | C12 | H122 | 162.9° | 60.0° |
| C6 | C5 | C12 | H123 | 42.8° | 60.0° |
| C5 | C6 | C13 | C7 | 179.8° | 179.9° |
| C5 | C6 | C13 | H131 | 121.1° | 179.9° |
| C5 | C6 | C13 | H132 | 1.1° | 60.2° |
| C5 | C6 | C13 | H133 | 118.9° | 60.0° |
| C5 | C6 | C7 | O2 | 180.0° | 180.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| C6 | C13 | H131 | H132 | 120.0° | 120.0° |
| C6 | C13 | H131 | H133 | 120.0° | 120.0° |
| C6 | C13 | H132 | H133 | 120.0° | 120.1° |
| C13 | C6 | C7 | O2 | 0.1° | 0.1° |
| C7 | C6 | C13 | H131 | 58.8° | 0.0° |
| C7 | C6 | C13 | H132 | 178.8° | 120.0° |
| C7 | C6 | C13 | H133 | 61.2° | 119.9° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| C16 | C15 | H151 | H152 | 119.0° | 120.0° |
| C15 | C16 | C17 | H161 | 120.2° | 120.0° |
| C15 | C16 | C17 | H162 | 119.3° | 120.0° |
| C15 | C16 | H161 | H162 | 119.3° | 120.0° |
| C15 | C16 | C17 | C18 | 174.3° | 180.0° |
| C15 | C16 | C17 | H171 | 65.4° | 60.0° |
| C15 | C16 | C17 | H172 | 55.4° | 60.0° |
| H151 | C15 | C16 | C17 | 61.8° | 60.0° |
| H151 | C15 | C16 | H161 | 178.0° | 180.0° |
| H151 | C15 | C16 | H162 | 57.4° | 60.0° |
| H152 | C15 | C16 | C17 | 58.9° | 60.0° |
| H152 | C15 | C16 | H161 | 61.3° | 60.0° |
| H152 | C15 | C16 | H162 | 178.1° | 180.0° |
| C17 | C16 | H161 | H162 | 119.3° | 120.0° |
| C16 | C17 | C18 | H171 | 120.3° | 120.1° |
| C16 | C17 | C18 | H172 | 119.0° | 120.0° |
| C16 | C17 | H171 | H172 | 119.1° | 120.0° |
| C16 | C17 | C18 | C19 | 171.9° | 60.0° |
| C16 | C17 | C18 | C20 | 67.0° | 180.0° |
| C16 | C17 | C18 | H18 | 53.8° | 60.0° |
| H161 | C16 | C17 | C18 | 54.1° | 60.0° |
| H161 | C16 | C17 | H171 | 174.4° | 180.0° |
| H161 | C16 | C17 | H172 | 64.8° | 60.0° |
| H162 | C16 | C17 | C18 | 66.4° | 60.0° |
| H162 | C16 | C17 | H171 | 53.9° | 60.0° |
| H162 | C16 | C17 | H172 | 174.6° | 180.0° |
| C18 | C17 | H171 | H172 | 119.0° | 119.9° |
| C17 | C18 | C19 | C20 | 120.7° | 120.1° |
| C17 | C18 | C19 | H18 | 118.5° | 120.0° |
| C17 | C18 | C20 | H18 | 118.6° | 120.0° |
| C17 | C18 | C19 | H191 | 172.0° | 60.0° |
| C17 | C18 | C19 | H192 | 52.0° | 59.9° |
| C17 | C18 | C19 | H193 | 68.0° | 179.9° |
| C17 | C18 | C20 | C21 | 157.9° | 180.0° |
| C17 | C18 | C20 | H201 | 82.1° | 60.0° |
| C17 | C18 | C20 | H202 | 38.0° | 60.0° |
| H171 | C17 | C18 | C19 | 67.8° | 60.1° |
| H171 | C17 | C18 | C20 | 53.3° | 59.9° |
| H171 | C17 | C18 | H18 | 174.1° | 179.9° |
| H172 | C17 | C18 | C19 | 53.0° | 180.0° |
| H172 | C17 | C18 | C20 | 174.0° | 60.0° |
| H172 | C17 | C18 | H18 | 65.2° | 60.0° |
| C19 | C18 | C20 | H18 | 118.3° | 119.9° |
| C18 | C19 | H191 | H192 | 120.0° | 119.9° |
| C18 | C19 | H191 | H193 | 120.0° | 120.0° |
| C18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C19 | C18 | C20 | C21 | 34.9° | 60.0° |
| C19 | C18 | C20 | H201 | 154.9° | 60.1° |
| C19 | C18 | C20 | H202 | 85.1° | 180.0° |
| C20 | C18 | C19 | H191 | 51.2° | 60.1° |
| C20 | C18 | C19 | H192 | 68.8° | 180.0° |
| C20 | C18 | C19 | H193 | 171.2° | 60.0° |
| C18 | C20 | C21 | H201 | 120.0° | 120.1° |
| C18 | C20 | C21 | H202 | 119.9° | 120.0° |
| C18 | C20 | H201 | H202 | 119.9° | 120.0° |
| C18 | C20 | C21 | C22 | 174.5° | 180.0° |
| C18 | C20 | C21 | H211 | 66.3° | 59.9° |
| C18 | C20 | C21 | H212 | 52.6° | 60.0° |
| H18 | C18 | C19 | H191 | 69.5° | 180.0° |
| H18 | C18 | C19 | H192 | 170.5° | 60.1° |
| H18 | C18 | C19 | H193 | 50.5° | 59.9° |
| H18 | C18 | C20 | C21 | 83.5° | 60.0° |
| H18 | C18 | C20 | H201 | 36.6° | 180.0° |
| H18 | C18 | C20 | H202 | 156.6° | 60.0° |
| H191 | C19 | H192 | H193 | 120.0° | 120.1° |
| C21 | C20 | H201 | H202 | 119.9° | 119.9° |
| C20 | C21 | C22 | H211 | 119.3° | 120.0° |
| C20 | C21 | C22 | H212 | 121.9° | 120.0° |
| C20 | C21 | H211 | H212 | 122.1° | 119.9° |
| C20 | C21 | C22 | C23 | 176.6° | 180.0° |
| C20 | C21 | C22 | H221 | 56.6° | 60.0° |
| C20 | C21 | C22 | H222 | 63.4° | 60.0° |
| H201 | C20 | C21 | C22 | 54.4° | 59.9° |
| H201 | C20 | C21 | H211 | 173.7° | 180.0° |
| H201 | C20 | C21 | H212 | 67.4° | 60.1° |
| H202 | C20 | C21 | C22 | 65.6° | 60.0° |
| H202 | C20 | C21 | H211 | 53.7° | 60.1° |
| H202 | C20 | C21 | H212 | 172.6° | 180.0° |
| C22 | C21 | H211 | H212 | 122.0° | 120.0° |
| C21 | C22 | C23 | H221 | 120.0° | 120.0° |
| C21 | C22 | C23 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | C23 | C1 | 66.8° | 60.0° |
| C21 | C22 | C23 | C24 | 168.2° | 180.0° |
| C21 | C22 | C23 | H23 | 51.9° | 60.0° |
| H211 | C21 | C22 | C23 | 64.1° | 60.0° |
| H211 | C21 | C22 | H221 | 175.9° | 180.0° |
| H211 | C21 | C22 | H222 | 55.9° | 60.0° |
| H212 | C21 | C22 | C23 | 54.8° | 60.0° |
| H212 | C21 | C22 | H221 | 65.2° | 60.0° |
| H212 | C21 | C22 | H222 | 174.7° | 180.0° |
| C23 | C22 | H221 | H222 | 120.0° | 120.0° |
| C22 | C23 | C1 | C24 | 123.8° | 120.0° |
| C22 | C23 | C1 | H23 | 120.0° | 120.0° |
| C22 | C23 | C24 | H23 | 119.7° | 120.0° |
| C22 | C23 | C1 | H1C1 | 176.1° | 60.0° |
| C22 | C23 | C1 | H1C2 | 56.1° | 60.0° |
| C22 | C23 | C1 | H1C3 | 63.9° | 180.0° |
| C22 | C23 | C24 | C25 | 35.6° | 180.0° |
| C22 | C23 | C24 | H241 | 156.6° | 60.0° |
| C22 | C23 | C24 | H242 | 80.8° | 60.0° |
| H221 | C22 | C23 | C1 | 173.2° | 60.0° |
| H221 | C22 | C23 | C24 | 48.2° | 60.0° |
| H221 | C22 | C23 | H23 | 68.1° | 180.0° |
| H222 | C22 | C23 | C1 | 53.1° | 180.0° |
| H222 | C22 | C23 | C24 | 71.8° | 60.0° |
| H222 | C22 | C23 | H23 | 171.9° | 59.9° |
| C1 | C23 | C24 | H23 | 118.4° | 120.0° |
| C23 | C1 | H1C1 | H1C2 | 120.0° | 120.0° |
| C23 | C1 | H1C1 | H1C3 | 120.0° | 120.0° |
| C23 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| C1 | C23 | C24 | C25 | 86.3° | 60.0° |
| C1 | C23 | C24 | H241 | 34.7° | 60.0° |
| C1 | C23 | C24 | H242 | 157.3° | 179.9° |
| C24 | C23 | C1 | H1C1 | 52.3° | 60.0° |
| C24 | C23 | C1 | H1C2 | 67.8° | 180.0° |
| C24 | C23 | C1 | H1C3 | 172.3° | 59.9° |
| C23 | C24 | C25 | H241 | 121.0° | 120.1° |
| C23 | C24 | C25 | H242 | 116.4° | 120.0° |
| C23 | C24 | H241 | H242 | 116.9° | 120.0° |
| C23 | C24 | C25 | C26 | 168.8° | 180.0° |
| C23 | C24 | C25 | H251 | 48.8° | 60.0° |
| C23 | C24 | C25 | H252 | 71.2° | 60.1° |
| H23 | C23 | C1 | H1C1 | 63.9° | 179.9° |
| H23 | C23 | C1 | H1C2 | 176.1° | 60.0° |
| H23 | C23 | C1 | H1C3 | 56.1° | 60.0° |
| H23 | C23 | C24 | C25 | 155.3° | 60.0° |
| H23 | C23 | C24 | H241 | 83.7° | 180.0° |
| H23 | C23 | C24 | H242 | 39.0° | 60.0° |
| H1C1 | C1 | H1C2 | H1C3 | 120.0° | 120.0° |
| C25 | C24 | H241 | H242 | 116.8° | 119.9° |
| C24 | C25 | C26 | H251 | 120.0° | 120.1° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 120.0° | 120.0° |
| C24 | C25 | C26 | C27 | 133.2° | 180.0° |
| C24 | C25 | C26 | H261 | 12.7° | 59.9° |
| C24 | C25 | C26 | H262 | 108.4° | 60.0° |
| H241 | C24 | C25 | C26 | 70.2° | 59.9° |
| H241 | C24 | C25 | H251 | 169.8° | 179.9° |
| H241 | C24 | C25 | H252 | 49.8° | 60.0° |
| H242 | C24 | C25 | C26 | 52.4° | 60.0° |
| H242 | C24 | C25 | H251 | 67.6° | 60.0° |
| H242 | C24 | C25 | H252 | 172.4° | 179.9° |
| C26 | C25 | H251 | H252 | 120.0° | 119.9° |
| C25 | C26 | C27 | H261 | 120.5° | 120.1° |
| C25 | C26 | C27 | H262 | 118.4° | 120.0° |
| C25 | C26 | H261 | H262 | 118.5° | 120.0° |
| C25 | C26 | C27 | C28 | 131.3° | 180.0° |
| C25 | C26 | C27 | C29 | 106.1° | 60.0° |
| C25 | C26 | C27 | H27 | 11.8° | 60.0° |
| H251 | C25 | C26 | C27 | 106.8° | 60.0° |
| H251 | C25 | C26 | H261 | 132.7° | 180.0° |
| H251 | C25 | C26 | H262 | 11.6° | 60.0° |
| H252 | C25 | C26 | C27 | 13.2° | 60.0° |
| H252 | C25 | C26 | H261 | 107.3° | 60.0° |
| H252 | C25 | C26 | H262 | 131.6° | 180.0° |
| C27 | C26 | H261 | H262 | 118.6° | 120.0° |
| C26 | C27 | C28 | C29 | 123.7° | 120.0° |
| C26 | C27 | C28 | H27 | 118.3° | 119.9° |
| C26 | C27 | C29 | H27 | 118.2° | 120.0° |
| C26 | C27 | C28 | H281 | 82.8° | 180.0° |
| C26 | C27 | C28 | H282 | 157.3° | 60.0° |
| C26 | C27 | C28 | H283 | 37.2° | 60.0° |
| C26 | C27 | C29 | H291 | 105.5° | 60.0° |
| C26 | C27 | C29 | H292 | 14.5° | 60.0° |
| C26 | C27 | C29 | H293 | 134.5° | 180.0° |
| H261 | C26 | C27 | C28 | 10.9° | 59.9° |
| H261 | C26 | C27 | C29 | 133.5° | 60.0° |
| H261 | C26 | C27 | H27 | 108.7° | 179.9° |
| H262 | C26 | C27 | C28 | 110.2° | 60.0° |
| H262 | C26 | C27 | C29 | 12.3° | 180.0° |
| H262 | C26 | C27 | H27 | 130.2° | 60.0° |
| C28 | C27 | C29 | H27 | 119.5° | 120.0° |
| C27 | C28 | H281 | H282 | 120.0° | 120.0° |
| C27 | C28 | H281 | H283 | 120.0° | 120.0° |
| C27 | C28 | H282 | H283 | 120.0° | 120.0° |
| C28 | C27 | C29 | H291 | 16.8° | 60.0° |
| C28 | C27 | C29 | H292 | 136.8° | 180.0° |
| C28 | C27 | C29 | H293 | 103.2° | 60.0° |
| C29 | C27 | C28 | H281 | 40.9° | 60.0° |
| C29 | C27 | C28 | H282 | 79.0° | 180.0° |
| C29 | C27 | C28 | H283 | 160.9° | 60.0° |
| C27 | C29 | H291 | H292 | 120.0° | 120.0° |
| C27 | C29 | H291 | H293 | 120.0° | 120.0° |
| C27 | C29 | H292 | H293 | 120.0° | 119.9° |
| H27 | C27 | C28 | H281 | 158.9° | 60.0° |
| H27 | C27 | C28 | H282 | 38.9° | 60.0° |
| H27 | C27 | C28 | H283 | 81.1° | 179.9° |
| H27 | C27 | C29 | H291 | 136.3° | 180.0° |
| H27 | C27 | C29 | H292 | 103.7° | 59.9° |
| H27 | C27 | C29 | H293 | 16.3° | 60.0° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H291 | C29 | H292 | H293 | 120.0° | 120.0° |
