UQ5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| C1 | C6 | doub | 1.34Å | 1.35Å | |
| C1 | C1M | sing | 1.51Å | 1.49Å | |
| C2 | C3 | sing | 1.48Å | 1.48Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| C3 | C4 | doub | 1.35Å | 1.42Å | |
| C3 | O3 | sing | 1.36Å | 1.43Å | |
| C4 | C5 | sing | 1.48Å | 1.47Å | |
| C4 | O4 | sing | 1.36Å | 1.43Å | |
| C5 | C6 | sing | 1.48Å | 1.55Å | |
| C5 | O5 | doub | 1.21Å | 1.21Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| C1M | H1M1 | sing | 1.09Å | 1.10Å | |
| C1M | H1M2 | sing | 1.09Å | 1.10Å | |
| C1M | H1M3 | sing | 1.09Å | 1.10Å | |
| C3M | O3 | sing | 1.43Å | 1.40Å | |
| C3M | H3M1 | sing | 1.09Å | 1.10Å | |
| C3M | H3M2 | sing | 1.09Å | 1.10Å | |
| C3M | H3M3 | sing | 1.09Å | 1.10Å | |
| C4M | O4 | sing | 1.43Å | 1.42Å | |
| C4M | H4M1 | sing | 1.09Å | 1.10Å | |
| C4M | H4M2 | sing | 1.09Å | 1.10Å | |
| C4M | H4M3 | sing | 1.09Å | 1.10Å | |
| C7 | C8 | sing | 1.51Å | 1.43Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | doub | 1.31Å | 1.45Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | sing | 1.51Å | 1.49Å | |
| C9 | C11 | sing | 1.51Å | 1.46Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.51Å | 1.48Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.31Å | 1.40Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C16 | sing | 1.51Å | 1.48Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.51Å | 1.47Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.31Å | 1.45Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | sing | 1.51Å | 1.43Å | |
| C19 | C21 | sing | 1.51Å | 1.57Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | C22 | sing | 1.53Å | 1.48Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.51Å | 1.38Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | doub | 1.31Å | 1.38Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | sing | 1.51Å | 1.61Å | |
| C24 | C26 | sing | 1.51Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | sing | 1.51Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | doub | 1.31Å | 1.54Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.51Å | 1.56Å | |
| C29 | C31 | sing | 1.51Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.0° | 120.1° |
| C2 | C1 | C1M | 119.4° | 120.0° |
| C1 | C2 | C3 | 122.1° | 120.0° |
| C1 | C2 | O2 | 124.4° | 120.0° |
| C6 | C1 | C1M | 118.6° | 119.9° |
| C1 | C6 | C5 | 116.0° | 120.1° |
| C1 | C6 | C7 | 123.1° | 120.0° |
| C1 | C1M | H1M1 | 109.5° | 109.5° |
| C1 | C1M | H1M2 | 109.5° | 109.4° |
| C1 | C1M | H1M3 | 109.5° | 109.5° |
| C3 | C2 | O2 | 113.6° | 120.0° |
| C2 | C3 | C4 | 118.7° | 119.9° |
| C2 | C3 | O3 | 113.9° | 120.1° |
| C4 | C3 | O3 | 127.4° | 120.0° |
| C3 | C4 | C5 | 117.8° | 119.9° |
| C3 | C4 | O4 | 115.4° | 120.0° |
| C3 | O3 | C3M | 117.4° | 106.8° |
| C5 | C4 | O4 | 126.7° | 120.1° |
| C4 | C5 | C6 | 123.5° | 120.0° |
| C4 | C5 | O5 | 119.2° | 120.0° |
| C4 | O4 | C4M | 123.9° | 106.8° |
| C6 | C5 | O5 | 117.4° | 120.0° |
| C5 | C6 | C7 | 120.9° | 119.9° |
| C6 | C7 | C8 | 121.5° | 109.5° |
| C6 | C7 | H71 | 105.6° | 109.5° |
| C6 | C7 | H72 | 102.8° | 109.4° |
| H1M1 | C1M | H1M2 | 109.5° | 109.5° |
| H1M1 | C1M | H1M3 | 109.5° | 109.5° |
| H1M2 | C1M | H1M3 | 109.4° | 109.5° |
| O3 | C3M | H3M1 | 109.5° | 109.4° |
| O3 | C3M | H3M2 | 109.5° | 109.5° |
| O3 | C3M | H3M3 | 109.5° | 109.5° |
| H3M1 | C3M | H3M2 | 109.5° | 109.5° |
| H3M1 | C3M | H3M3 | 109.4° | 109.5° |
| H3M2 | C3M | H3M3 | 109.5° | 109.5° |
| O4 | C4M | H4M1 | 109.5° | 109.5° |
| O4 | C4M | H4M2 | 109.5° | 109.5° |
| O4 | C4M | H4M3 | 109.4° | 109.5° |
| H4M1 | C4M | H4M2 | 109.5° | 109.5° |
| H4M1 | C4M | H4M3 | 109.5° | 109.4° |
| H4M2 | C4M | H4M3 | 109.5° | 109.4° |
| C8 | C7 | H71 | 105.6° | 109.4° |
| C8 | C7 | H72 | 102.8° | 109.5° |
| C7 | C8 | C9 | 124.6° | 120.1° |
| C7 | C8 | H8 | 117.7° | 120.0° |
| H71 | C7 | H72 | 119.5° | 109.5° |
| C9 | C8 | H8 | 117.7° | 120.0° |
| C8 | C9 | C10 | 116.6° | 120.0° |
| C8 | C9 | C11 | 122.6° | 120.1° |
| C10 | C9 | C11 | 120.7° | 120.0° |
| C9 | C10 | H101 | 109.5° | 109.4° |
| C9 | C10 | H102 | 109.5° | 109.5° |
| C9 | C10 | H103 | 109.5° | 109.5° |
| C9 | C11 | C12 | 96.7° | 109.5° |
| C9 | C11 | H111 | 114.0° | 109.5° |
| C9 | C11 | H112 | 116.5° | 109.5° |
| H101 | C10 | H102 | 109.4° | 109.5° |
| H101 | C10 | H103 | 109.5° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| C12 | C11 | H111 | 114.0° | 109.5° |
| C12 | C11 | H112 | 116.5° | 109.5° |
| C11 | C12 | C13 | 128.5° | 109.5° |
| C11 | C12 | H121 | 103.5° | 109.4° |
| C11 | C12 | H122 | 99.1° | 109.5° |
| H111 | C11 | H112 | 100.1° | 109.5° |
| C13 | C12 | H121 | 103.6° | 109.5° |
| C13 | C12 | H122 | 99.1° | 109.5° |
| C12 | C13 | C14 | 124.9° | 120.0° |
| C12 | C13 | H13 | 117.6° | 120.0° |
| H121 | C12 | H122 | 126.0° | 109.5° |
| C14 | C13 | H13 | 117.6° | 120.0° |
| C13 | C14 | C15 | 120.7° | 120.0° |
| C13 | C14 | C16 | 118.5° | 120.0° |
| C15 | C14 | C16 | 120.7° | 120.0° |
| C14 | C15 | H151 | 109.5° | 109.4° |
| C14 | C15 | H152 | 109.4° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.5° |
| C14 | C16 | C17 | 118.3° | 109.5° |
| C14 | C16 | H161 | 106.6° | 109.5° |
| C14 | C16 | H162 | 104.6° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| C17 | C16 | H161 | 106.6° | 109.5° |
| C17 | C16 | H162 | 104.6° | 109.5° |
| C16 | C17 | C18 | 122.6° | 109.5° |
| C16 | C17 | H171 | 105.3° | 109.5° |
| C16 | C17 | H172 | 102.2° | 109.5° |
| H161 | C16 | H162 | 116.7° | 109.4° |
| C18 | C17 | H171 | 105.3° | 109.4° |
| C18 | C17 | H172 | 102.2° | 109.5° |
| C17 | C18 | C19 | 131.4° | 120.0° |
| C17 | C18 | H18 | 114.3° | 120.0° |
| H171 | C17 | H172 | 120.5° | 109.4° |
| C19 | C18 | H18 | 114.3° | 120.0° |
| C18 | C19 | C20 | 120.8° | 120.0° |
| C18 | C19 | C21 | 117.6° | 120.0° |
| C20 | C19 | C21 | 121.6° | 120.0° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.4° |
| C19 | C21 | C22 | 117.7° | 109.5° |
| C19 | C21 | H211 | 106.8° | 109.5° |
| C19 | C21 | H212 | 104.9° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| C22 | C21 | H211 | 106.8° | 109.5° |
| C22 | C21 | H212 | 104.9° | 109.4° |
| C21 | C22 | C23 | 113.4° | 109.5° |
| C21 | C22 | H221 | 108.2° | 109.5° |
| C21 | C22 | H222 | 107.3° | 109.5° |
| H211 | C21 | H212 | 116.1° | 109.5° |
| C23 | C22 | H221 | 108.2° | 109.5° |
| C23 | C22 | H222 | 107.3° | 109.5° |
| C22 | C23 | C24 | 128.1° | 120.0° |
| C22 | C23 | H23 | 115.9° | 119.9° |
| H221 | C22 | H222 | 112.6° | 109.4° |
| C24 | C23 | H23 | 116.0° | 120.1° |
| C23 | C24 | C25 | 118.3° | 120.0° |
| C23 | C24 | C26 | 121.8° | 120.0° |
| C25 | C24 | C26 | 119.9° | 120.0° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.4° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C26 | C27 | 110.4° | 109.5° |
| C24 | C26 | H261 | 109.1° | 109.5° |
| C24 | C26 | H262 | 109.0° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.6° |
| H252 | C25 | H253 | 109.4° | 109.5° |
| C27 | C26 | H261 | 109.1° | 109.5° |
| C27 | C26 | H262 | 108.9° | 109.5° |
| C26 | C27 | C28 | 123.3° | 109.4° |
| C26 | C27 | H271 | 105.1° | 109.5° |
| C26 | C27 | H272 | 101.8° | 109.5° |
| H261 | C26 | H262 | 110.2° | 109.5° |
| C28 | C27 | H271 | 105.1° | 109.4° |
| C28 | C27 | H272 | 101.8° | 109.5° |
| C27 | C28 | C29 | 128.3° | 120.0° |
| C27 | C28 | H28 | 115.9° | 120.0° |
| H271 | C27 | H272 | 121.2° | 109.5° |
| C29 | C28 | H28 | 115.9° | 120.0° |
| C28 | C29 | C30 | 122.5° | 120.0° |
| C28 | C29 | C31 | 127.9° | 120.0° |
| C30 | C29 | C31 | 109.4° | 120.0° |
| C29 | C30 | H301 | 109.5° | 109.4° |
| C29 | C30 | H302 | 109.5° | 109.4° |
| C29 | C30 | H303 | 109.5° | 109.5° |
| C29 | C31 | H311 | 109.5° | 109.5° |
| C29 | C31 | H312 | 109.4° | 109.5° |
| C29 | C31 | H313 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.4° |
| H312 | C31 | H313 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C1M | 179.4° | 179.7° |
| C1 | C2 | C3 | O2 | 179.4° | 179.4° |
| C1 | C2 | C3 | C4 | 1.1° | 0.6° |
| C1 | C2 | C3 | O3 | 178.5° | 179.7° |
| C2 | C1 | C6 | C5 | 0.4° | 0.3° |
| C2 | C1 | C6 | C7 | 179.2° | 179.7° |
| C2 | C1 | C1M | H1M1 | 113.0° | 89.7° |
| C2 | C1 | C1M | H1M2 | 7.0° | 30.3° |
| C2 | C1 | C1M | H1M3 | 126.9° | 150.3° |
| C6 | C1 | C2 | C3 | 0.3° | 0.6° |
| C6 | C1 | C2 | O2 | 179.6° | 180.0° |
| C1 | C6 | C5 | C4 | 0.5° | 0.0° |
| C1 | C6 | C5 | C7 | 179.7° | 180.0° |
| C1 | C6 | C5 | O5 | 179.8° | 180.0° |
| C6 | C1 | C1M | H1M1 | 67.6° | 90.0° |
| C6 | C1 | C1M | H1M2 | 172.4° | 150.0° |
| C6 | C1 | C1M | H1M3 | 52.4° | 30.0° |
| C1 | C6 | C7 | C8 | 165.4° | 95.0° |
| C1 | C6 | C7 | H71 | 45.4° | 145.0° |
| C1 | C6 | C7 | H72 | 80.6° | 25.1° |
| C1M | C1 | C2 | C3 | 179.7° | 179.7° |
| C1M | C1 | C2 | O2 | 1.0° | 0.3° |
| C1M | C1 | C6 | C5 | 178.9° | 180.0° |
| C1M | C1 | C6 | C7 | 1.4° | 0.0° |
| C1 | C1M | H1M1 | H1M2 | 120.0° | 119.9° |
| C1 | C1M | H1M1 | H1M3 | 120.0° | 120.0° |
| C1 | C1M | H1M2 | H1M3 | 120.0° | 120.0° |
| C2 | C3 | C4 | O3 | 179.5° | 179.7° |
| C2 | C3 | C4 | C5 | 1.0° | 0.3° |
| C2 | C3 | C4 | O4 | 178.4° | 179.7° |
| C2 | C3 | O3 | C3M | 86.9° | 67.6° |
| O2 | C2 | C3 | C4 | 179.6° | 180.0° |
| O2 | C2 | C3 | O3 | 0.8° | 0.3° |
| C3 | C4 | C5 | O4 | 179.3° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | O5 | 179.5° | 180.0° |
| C4 | C3 | O3 | C3M | 92.7° | 112.7° |
| C3 | C4 | O4 | C4M | 140.1° | 112.6° |
| O3 | C3 | C4 | C5 | 178.6° | 180.0° |
| O3 | C3 | C4 | O4 | 2.0° | 0.0° |
| C3 | O3 | C3M | H3M1 | 134.7° | 64.5° |
| C3 | O3 | C3M | H3M2 | 14.7° | 55.5° |
| C3 | O3 | C3M | H3M3 | 105.3° | 175.5° |
| C4 | C5 | C6 | O5 | 179.7° | 180.0° |
| C4 | C5 | C6 | C7 | 179.1° | 180.0° |
| C5 | C4 | O4 | C4M | 40.6° | 67.4° |
| O4 | C4 | C5 | C6 | 179.1° | 180.0° |
| O4 | C4 | C5 | O5 | 1.2° | 0.0° |
| C4 | O4 | C4M | H4M1 | 84.0° | 64.5° |
| C4 | O4 | C4M | H4M2 | 36.0° | 55.6° |
| C4 | O4 | C4M | H4M3 | 156.0° | 175.5° |
| C5 | C6 | C7 | C8 | 14.2° | 85.0° |
| C5 | C6 | C7 | H71 | 134.2° | 35.0° |
| C5 | C6 | C7 | H72 | 99.8° | 155.0° |
| O5 | C5 | C6 | C7 | 0.6° | 0.0° |
| C6 | C7 | C8 | H71 | 120.0° | 120.0° |
| C6 | C7 | C8 | H72 | 114.0° | 120.0° |
| C6 | C7 | H71 | H72 | 115.0° | 120.0° |
| C6 | C7 | C8 | C9 | 93.0° | 127.2° |
| C6 | C7 | C8 | H8 | 87.0° | 52.8° |
| H1M1 | C1M | H1M2 | H1M3 | 120.0° | 120.1° |
| O3 | C3M | H3M1 | H3M2 | 120.0° | 120.0° |
| O3 | C3M | H3M1 | H3M3 | 120.0° | 120.0° |
| O3 | C3M | H3M2 | H3M3 | 120.0° | 120.0° |
| H3M1 | C3M | H3M2 | H3M3 | 120.0° | 120.0° |
| O4 | C4M | H4M1 | H4M2 | 120.0° | 120.1° |
| O4 | C4M | H4M1 | H4M3 | 120.0° | 120.1° |
| O4 | C4M | H4M2 | H4M3 | 120.0° | 120.0° |
| H4M1 | C4M | H4M2 | H4M3 | 120.0° | 119.9° |
| C8 | C7 | H71 | H72 | 115.0° | 120.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.9° | 7.1° |
| C7 | C8 | C9 | C11 | 175.6° | 172.9° |
| H71 | C7 | C8 | C9 | 147.0° | 7.1° |
| H71 | C7 | C8 | H8 | 33.0° | 172.9° |
| H72 | C7 | C8 | C9 | 21.0° | 112.9° |
| H72 | C7 | C8 | H8 | 159.1° | 67.2° |
| C8 | C9 | C10 | C11 | 176.6° | 180.0° |
| C8 | C9 | C10 | H101 | 79.0° | 5.4° |
| C8 | C9 | C10 | H102 | 40.9° | 125.4° |
| C8 | C9 | C10 | H103 | 161.0° | 114.6° |
| C8 | C9 | C11 | C12 | 105.2° | 95.0° |
| C8 | C9 | C11 | H111 | 14.8° | 145.0° |
| C8 | C9 | C11 | H112 | 130.7° | 25.0° |
| H8 | C8 | C9 | C10 | 179.2° | 172.9° |
| H8 | C8 | C9 | C11 | 4.3° | 7.1° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| C10 | C9 | C11 | C12 | 71.1° | 85.0° |
| C10 | C9 | C11 | H111 | 168.8° | 35.0° |
| C10 | C9 | C11 | H112 | 53.0° | 155.0° |
| C11 | C9 | C10 | H101 | 104.4° | 174.6° |
| C11 | C9 | C10 | H102 | 135.6° | 54.6° |
| C11 | C9 | C10 | H103 | 15.6° | 65.4° |
| C9 | C11 | C12 | H111 | 120.0° | 120.0° |
| C9 | C11 | C12 | H112 | 124.1° | 120.0° |
| C9 | C11 | H111 | H112 | 125.1° | 120.0° |
| C9 | C11 | C12 | C13 | 157.9° | 180.0° |
| C9 | C11 | C12 | H121 | 82.1° | 60.0° |
| C9 | C11 | C12 | H122 | 48.5° | 60.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| C12 | C11 | H111 | H112 | 125.1° | 120.0° |
| C11 | C12 | C13 | H121 | 120.0° | 120.0° |
| C11 | C12 | C13 | H122 | 109.4° | 120.0° |
| C11 | C12 | H121 | H122 | 112.1° | 120.0° |
| C11 | C12 | C13 | C14 | 104.4° | 127.1° |
| C11 | C12 | C13 | H13 | 75.6° | 52.8° |
| H111 | C11 | C12 | C13 | 37.8° | 60.0° |
| H111 | C11 | C12 | H121 | 157.8° | 180.0° |
| H111 | C11 | C12 | H122 | 71.6° | 60.0° |
| H112 | C11 | C12 | C13 | 78.0° | 60.0° |
| H112 | C11 | C12 | H121 | 42.0° | 60.0° |
| H112 | C11 | C12 | H122 | 172.6° | 180.0° |
| C13 | C12 | H121 | H122 | 112.1° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.6° | 7.1° |
| C12 | C13 | C14 | C16 | 178.8° | 172.9° |
| H121 | C12 | C13 | C14 | 135.6° | 7.1° |
| H121 | C12 | C13 | H13 | 44.4° | 172.8° |
| H122 | C12 | C13 | C14 | 5.0° | 112.9° |
| H122 | C12 | C13 | H13 | 175.0° | 67.1° |
| C13 | C14 | C15 | C16 | 179.6° | 180.0° |
| C13 | C14 | C15 | H151 | 45.1° | 5.3° |
| C13 | C14 | C15 | H152 | 74.9° | 125.3° |
| C13 | C14 | C15 | H153 | 165.1° | 114.6° |
| C13 | C14 | C16 | C17 | 145.3° | 95.0° |
| C13 | C14 | C16 | H161 | 25.3° | 144.9° |
| C13 | C14 | C16 | H162 | 98.9° | 25.0° |
| H13 | C13 | C14 | C15 | 178.4° | 173.0° |
| H13 | C13 | C14 | C16 | 1.2° | 7.0° |
| C14 | C15 | H151 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H153 | 120.0° | 119.9° |
| C14 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | C14 | C16 | C17 | 34.3° | 85.0° |
| C15 | C14 | C16 | H161 | 154.3° | 35.1° |
| C15 | C14 | C16 | H162 | 81.5° | 155.0° |
| C16 | C14 | C15 | H151 | 135.3° | 174.6° |
| C16 | C14 | C15 | H152 | 104.7° | 54.7° |
| C16 | C14 | C15 | H153 | 15.3° | 65.4° |
| C14 | C16 | C17 | H161 | 120.0° | 120.0° |
| C14 | C16 | C17 | H162 | 115.8° | 120.0° |
| C14 | C16 | H161 | H162 | 116.4° | 120.0° |
| C14 | C16 | C17 | C18 | 107.1° | 180.0° |
| C14 | C16 | C17 | H171 | 132.9° | 60.0° |
| C14 | C16 | C17 | H172 | 6.2° | 60.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| C17 | C16 | H161 | H162 | 116.4° | 120.0° |
| C16 | C17 | C18 | H171 | 120.0° | 120.0° |
| C16 | C17 | C18 | H172 | 113.3° | 120.0° |
| C16 | C17 | H171 | H172 | 114.6° | 120.0° |
| C16 | C17 | C18 | C19 | 42.3° | 126.9° |
| C16 | C17 | C18 | H18 | 137.7° | 53.1° |
| H161 | C16 | C17 | C18 | 12.9° | 60.0° |
| H161 | C16 | C17 | H171 | 107.2° | 179.9° |
| H161 | C16 | C17 | H172 | 126.2° | 60.1° |
| H162 | C16 | C17 | C18 | 137.1° | 60.0° |
| H162 | C16 | C17 | H171 | 17.0° | 60.0° |
| H162 | C16 | C17 | H172 | 109.6° | 180.0° |
| C18 | C17 | H171 | H172 | 114.6° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 2.5° |
| C17 | C18 | C19 | C21 | 179.7° | 177.4° |
| H171 | C17 | C18 | C19 | 77.8° | 6.9° |
| H171 | C17 | C18 | H18 | 102.3° | 173.1° |
| H172 | C17 | C18 | C19 | 155.6° | 113.1° |
| H172 | C17 | C18 | H18 | 24.4° | 66.9° |
| C18 | C19 | C20 | C21 | 179.5° | 179.9° |
| C18 | C19 | C20 | H201 | 162.9° | 4.7° |
| C18 | C19 | C20 | H202 | 77.1° | 124.7° |
| C18 | C19 | C20 | H203 | 43.0° | 115.2° |
| C18 | C19 | C21 | C22 | 156.2° | 95.0° |
| C18 | C19 | C21 | H211 | 36.2° | 145.0° |
| C18 | C19 | C21 | H212 | 87.7° | 24.9° |
| H18 | C18 | C19 | C20 | 179.8° | 177.5° |
| H18 | C18 | C19 | C21 | 0.3° | 2.6° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H203 | 120.0° | 119.9° |
| C19 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C19 | C21 | C22 | 24.3° | 85.0° |
| C20 | C19 | C21 | H211 | 144.3° | 35.0° |
| C20 | C19 | C21 | H212 | 91.9° | 155.0° |
| C21 | C19 | C20 | H201 | 17.5° | 175.3° |
| C21 | C19 | C20 | H202 | 102.5° | 55.3° |
| C21 | C19 | C20 | H203 | 137.5° | 64.8° |
| C19 | C21 | C22 | H211 | 120.0° | 120.0° |
| C19 | C21 | C22 | H212 | 116.2° | 120.0° |
| C19 | C21 | H211 | H212 | 116.7° | 120.0° |
| C19 | C21 | C22 | C23 | 103.1° | 180.0° |
| C19 | C21 | C22 | H221 | 17.0° | 59.9° |
| C19 | C21 | C22 | H222 | 138.7° | 60.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| C22 | C21 | H211 | H212 | 116.6° | 120.0° |
| C21 | C22 | C23 | H221 | 120.0° | 120.0° |
| C21 | C22 | C23 | H222 | 118.3° | 120.0° |
| C21 | C22 | H221 | H222 | 118.4° | 119.9° |
| C21 | C22 | C23 | C24 | 139.1° | 117.5° |
| C21 | C22 | C23 | H23 | 40.9° | 62.5° |
| H211 | C21 | C22 | C23 | 136.9° | 60.0° |
| H211 | C21 | C22 | H221 | 103.1° | 180.0° |
| H211 | C21 | C22 | H222 | 18.7° | 60.1° |
| H212 | C21 | C22 | C23 | 13.1° | 60.0° |
| H212 | C21 | C22 | H221 | 133.1° | 60.0° |
| H212 | C21 | C22 | H222 | 105.2° | 180.0° |
| C23 | C22 | H221 | H222 | 118.4° | 120.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 1.6° | 7.5° |
| C22 | C23 | C24 | C26 | 178.7° | 172.6° |
| H221 | C22 | C23 | C24 | 100.8° | 2.5° |
| H221 | C22 | C23 | H23 | 79.2° | 177.4° |
| H222 | C22 | C23 | C24 | 20.9° | 122.5° |
| H222 | C22 | C23 | H23 | 159.1° | 57.5° |
| C23 | C24 | C25 | C26 | 179.8° | 179.9° |
| C23 | C24 | C25 | H251 | 48.3° | 5.8° |
| C23 | C24 | C25 | H252 | 71.8° | 114.1° |
| C23 | C24 | C25 | H253 | 168.3° | 125.9° |
| C23 | C24 | C26 | C27 | 178.2° | 95.0° |
| C23 | C24 | C26 | H261 | 58.2° | 145.0° |
| C23 | C24 | C26 | H262 | 62.2° | 25.0° |
| H23 | C23 | C24 | C25 | 178.4° | 172.5° |
| H23 | C23 | C24 | C26 | 1.3° | 7.4° |
| C24 | C25 | H251 | H252 | 120.0° | 119.9° |
| C24 | C25 | H251 | H253 | 120.0° | 120.1° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C25 | C24 | C26 | C27 | 2.1° | 85.0° |
| C25 | C24 | C26 | H261 | 122.0° | 35.0° |
| C25 | C24 | C26 | H262 | 117.5° | 155.0° |
| C26 | C24 | C25 | H251 | 131.5° | 174.1° |
| C26 | C24 | C25 | H252 | 108.5° | 65.9° |
| C26 | C24 | C25 | H253 | 11.5° | 54.0° |
| C24 | C26 | C27 | H261 | 120.0° | 120.1° |
| C24 | C26 | C27 | H262 | 119.6° | 120.0° |
| C24 | C26 | H261 | H262 | 119.6° | 120.0° |
| C24 | C26 | C27 | C28 | 88.0° | 180.0° |
| C24 | C26 | C27 | H271 | 31.9° | 60.0° |
| C24 | C26 | C27 | H272 | 159.1° | 60.1° |
| H251 | C25 | H252 | H253 | 120.0° | 120.1° |
| C27 | C26 | H261 | H262 | 119.6° | 120.0° |
| C26 | C27 | C28 | H271 | 120.0° | 120.0° |
| C26 | C27 | C28 | H272 | 112.9° | 120.0° |
| C26 | C27 | H271 | H272 | 114.3° | 120.1° |
| C26 | C27 | C28 | C29 | 42.0° | 127.6° |
| C26 | C27 | C28 | H28 | 138.0° | 52.5° |
| H261 | C26 | C27 | C28 | 152.0° | 60.0° |
| H261 | C26 | C27 | H271 | 88.1° | 179.9° |
| H261 | C26 | C27 | H272 | 39.1° | 60.0° |
| H262 | C26 | C27 | C28 | 31.6° | 60.0° |
| H262 | C26 | C27 | H271 | 151.6° | 59.9° |
| H262 | C26 | C27 | H272 | 81.3° | 180.0° |
| C28 | C27 | H271 | H272 | 114.3° | 120.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 71.1° | 7.5° |
| C27 | C28 | C29 | C31 | 102.9° | 172.4° |
| H271 | C27 | C28 | C29 | 78.0° | 7.6° |
| H271 | C27 | C28 | H28 | 102.0° | 172.5° |
| H272 | C27 | C28 | C29 | 154.8° | 112.4° |
| H272 | C27 | C28 | H28 | 25.1° | 67.5° |
| C28 | C29 | C30 | C31 | 175.0° | 179.9° |
| C28 | C29 | C30 | H301 | 10.9° | 2.5° |
| C28 | C29 | C30 | H302 | 109.2° | 117.4° |
| C28 | C29 | C30 | H303 | 130.8° | 122.5° |
| C28 | C29 | C31 | H311 | 167.6° | 0.1° |
| C28 | C29 | C31 | H312 | 47.6° | 120.0° |
| C28 | C29 | C31 | H313 | 72.5° | 120.0° |
| H28 | C28 | C29 | C30 | 108.8° | 172.4° |
| H28 | C28 | C29 | C31 | 77.1° | 7.7° |
| C29 | C30 | H301 | H302 | 120.0° | 119.9° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.1° |
| C30 | C29 | C31 | H311 | 7.1° | 180.0° |
| C30 | C29 | C31 | H312 | 127.1° | 59.9° |
| C30 | C29 | C31 | H313 | 112.9° | 60.1° |
| C31 | C29 | C30 | H301 | 174.1° | 177.4° |
| C31 | C29 | C30 | H302 | 65.9° | 62.6° |
| C31 | C29 | C30 | H303 | 54.2° | 57.4° |
| C29 | C31 | H311 | H312 | 120.0° | 120.1° |
| C29 | C31 | H311 | H313 | 120.0° | 119.9° |
| C29 | C31 | H312 | H313 | 120.0° | 119.9° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
